A0A3Q0KNR8_SCHMA Loading...

Putative synaptic ras gtpase activating protein, syngap

AlphaFold DB (A0A5K4EPU0), UniProt , Accession A0A3Q0KNR8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,836 aa.

>A0A3Q0KNR8_SCHMA|A0A3Q0KNR8
MEQETKCKPNHIHGDAVEPTTDDSMTSSHYCFGLKTKSHEIHEGKSKSLCRNPVGSSTSISMPIAWPKRVGSRKKSNTSTEFEEKSECGTKKQSLTDVANNDKYKKETDTQKQRFWRFFRIGFTNKSKKQKADLLSNEISPFDALRNVSDKHSHFVKYLALEGSVDQNLTYLPSTVKMSLQWPEQEKSDIFDSNETKYSTVCSKECDNPEESSYKNDISTNVMIRPPKCGQRSSSVTPSDRFSETSSDRNIESSSTCEKVYPSTPVASKSTVLLRRPRTPTLGRAALFVRASYMGVDKSGTSTSLSFSKQNTKRDTVLSNDSHFSDFPNLSSAQPGFISRSSSLNSELREFNQNTQQSFHRSSVKNNSSQTNLQPFNLNGCQYETRIPKATSTRHNCHAYDTVPLDKLECLKLIPSVQMLSKSSEVNSELSNLTLIKSSDYVPTTISFLHGDQKQELHTSEYNTEKNQTQVIENNILKDTRNSVDMLVTSSSETEVSVLNHKHSKNCESNRTSEISNLQLNPQSFSKNRSISSNSRKSLEIPKASVKPIRQRPVKTIIGTELPTSPRSRSSQKSNNPFYSKPNKNLTKKFCESISNVETNIEIPFPNNNSEYNEQFQNEKSISHSVNIGSFVLRRRAKPELENEQHKDVSLRISIQEVKNLSAKGRYFCEICLDRTLYARTTSKLSDGTVFWGEQFDLNNLPIISIMTINLFRQATSVKDKRQRNKNQNQFIGYVTIPLNDDSQQCEIQKWFIMQPPQINSNLNFLENLQVCHQQHQQQTDTNQTPSINSSTGVSGRLRKHSIPASCFGYSNSFSIIPNSQYTTNSNNKLNDDNELKYNHMELSKKKCSWTAGVTTDSNFNKTNKIISKSSSSTSTATSPNLSPNSNSVTNNFILSENSLPQLRMMIHYQTVDILPIACYNQLKEFIKTKYLDLIRNLEPKLSAKQKEELTSCFVNIFEKLPDLSVAEFLSVLLREDLSNNGKESMIFRANSAGSKAMECYIKLVGTDYLRYVLGPVIDQLLVIGDDFEIDPSRLGASNDSSTASNNRNTLSVILERNRTALLKNVAMIWQRIESSQCKLPKELRDVFTALALTIEETHGVQSAAHLISSCLFLRFICPAIHGPVLFGLASSIPENNRISRNLTLIAKVLQNLANLTLFEDKEIHMKALNSFIEPEIPTMYKFLRSVASNTDANYHLSTNSDCHEFIELGYEFAKLTQLLNHYVSKINITPQIAELPDLLQNISELLNNQTFTSWDHKNQTSFERNTNSNSHSSRSGIPRHHSLANNNSISVVDNRRPSEATTIIKPSLTKLHEVDRKLSPEASINVKTIRNQQEPNNNATSADSNECISSTRQEKSWDTFIIQKEYLPCKFNSTDMIFKQIHINDLEQPENMEELLSQYREQLRQLNDCIEKVEPNCYHNPNLSHTLSHSTQSVHKIRDPSNRTPNNNTNINGNNNHINNGKFDRNLSRQSTDEISYRQARRKIINSKSNNSTPVPLGRVLKKTQCSHQNSHNKTNNNSISKDDDDNNDDGDDGDNDNYTSECDIGKTLIPTHSTSITTDRSSTSNSDYDYDDYDDRITECTTEDTSEYTKKRTTKNNKPRRISTRQNHLSESPSLDQLAEKLQELKKMLQLERQEIEEVVASKTEVIKQQEKSIEQLESELDQLRKEHRPLKMKPPNGRHTSKSTSRTVSPASSLSSECYSSNLSDITQNCHSYNNPFYHNDIHNNKNSNNNTNNNNHFFDSSISNYHSNNQGLNNLSRGESVITENYRTESFQEKLLWKGQMSRCEPQVKCNSNLLYLSRASEGTGIPLGHLIEANRSVHIGRRESETKLLPH
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M29.5Very low24.9Very low248 Ų248174.2 Ų174.2100%1.22288%0.882SS**  0116.20-73.2-174.8-78.100107.2
2E25.6Very low25.1Very low191 Ų191173.3 Ų173.389%0.89388%0.878SS**  trans-78.3143.7169.3-61.5173.7136.100109.1
3Q29.1Very low24.7Very low183 Ų183174.6 Ų174.686%0.85588%0.878SS**  -175.9127.2114.5-100.3176.76.200110.4
4E22.1Very low24.9Very low172 Ų172167.2 Ų167.280%0.80487%0.868SS**  trans-66.9134.7158.9-61.8-176.8110.500109.3
5T28.3Very low24.8Very low137 Ų137167.5 Ų167.584%0.8487%0.871SS**  trans-140116.114731.10000110.5
6K21.1Very low24.6Very low186 Ų186162.8 Ų162.881%0.80986%0.864SS**  trans-74.6127.3165.4-66161.6-179.1157.40108.2
7C24.5Very low24.8Very low136 Ų136161.4 Ų161.492%0.91986%0.863SS**  trans-150.7153.8150.5-103.30000112.3
8K22.5Very low24.5Very low200 Ų200162.2 Ų162.287%0.8786%0.861SS**  trans-84.9158.9-168-73.7176.5177.9177.30112.1
9P25.8Very low24.7Very low122 Ų122159.7 Ų159.779%0.79286%0.855SS**  trans-79.3140.5-173.632.3-35.1000112.3
10N24.5Very low24.5Very low161 Ų161157.4 Ų157.486%0.86185%0.846SS**  trans-114.9133.3163.7-90.2-19.9000109.8
11H20.9Very low24.5Very low180 Ų180155.8 Ų155.883%0.83384%0.842SS**  trans-65.3142.5165.7-73.2-94.2000110.7
12I27.1Very low24.4Very low164 Ų164150.9 Ų150.984%0.84182%0.821SS**  trans-151.2136146.8-93.7135.3000107.4
13H20.6Very low24.4Very low190 Ų190150.2 Ų150.288%0.8882%0.824SS**  trans-79.1147.7169.9-86.2-90.3000110.3
14G26.4Very low24.1Very low71 Ų71146.3 Ų146.373%0.73282%0.817SS**  trans-164.9125.517300000111.8
15D24.6Very low24.2Very low171 Ų171146.4 Ų146.491%0.91482%0.819SS**  trans-63.8167.1-162.5-63.7-64.5000118.8
16A21.2Very low24.3Very low92 Ų92145.9 Ų145.976%0.7682%0.816SS**  trans-56.2143.3177.200000116.1
17V28.5Very low24.4Very low139 Ų139143.2 Ų143.284%0.84282%0.821SS**  trans-137.8128.9136.2179.20000108.1
18E19.2Very low24.4Very low176 Ų176140.7 Ų140.782%0.82281%0.805SS**  trans-108.1115178.4179.1179.5-132.400109
19P28.4Very low24.5Very low115 Ų115139.4 Ų139.475%0.74780%0.801SS**  trans-104.1130.4165.733.8-26.5000111
20T20.9Very low24.4Very low113 Ų113144.8 Ų144.869%0.69381%0.808SS**  trans-81.6174.3-177.750.30000113.8
21T24.5Very low24.6Very low124 Ų124143.5 Ų143.576%0.76181%0.81SS**  trans96.2135.4155.658.20000120.7
22D26.9Very low24.8Very low145 Ų145145.3 Ų145.378%0.77582%0.816SS**  trans77.669155.8-59.8-2.9000120.8S24D22-S24 PolarHBondContact O-N 3.42Å
23D25.2Very low24.7Very low178 Ų178140.7 Ų140.795%0.95281%0.809SS**  trans-59.194.8153.3-78.2-49.1000111.9
24S23.3Very low24.8Very low100 Ų100139.5 Ų139.570%0.69981%0.808SS**  trans-146.5137.8155.570.40000113.2D22D22-S24 PolarHBondContact O-N 3.42Å
25M24.6Very low24.8Very low174 Ų174146 Ų14686%0.85782%0.816SS**SBendtrans80.2149.5175.6-48.9-153.476.900119.3
26T29.1Very low24.9Very low126 Ų126144 Ų14477%0.77381%0.81SS**  trans81.664.1169.771.20000119.4S28T26-S28 PolarHBondContact O-N 3.25Å
27S23.6Very low25Very low130 Ų130149 Ų14991%0.90981%0.814SS**  trans-73.779.415660.80000112.2
28S23.8Very low24.8Very low84 Ų84148 Ų14859%0.58781%0.813SS**  trans-155.416.3172.268.50000118.6T26T26-S28 PolarHBondContact O-N 3.25Å
29H25.1Very low25.1Very low172 Ų172148.2 Ų148.280%0.79681%0.814SS**  trans-139.883.1176.2-76.8-68.4000114.8
30Y24.5Very low24.7Very low236 Ų236151.4 Ų151.493%0.92582%0.819SS**  trans-151.6105.1157.5-96.3-75.4000111.4
31C29.2Very low24.8Very low134 Ų134154 Ų15491%0.90583%0.827SS**  trans-179.154.1150.8-1010000112.6
32F23.7Very low24.6Very low218 Ų218155.8 Ų155.896%0.95683%0.826SS**  trans-100.6114152.5-87-78.1000108
33G25.3Very low24.5Very low67 Ų67157.7 Ų157.769%0.69183%0.831SS**  trans-149.261.9-170.900000111.7K35G33-K35 PolarHBondContact O-N 3.33Å
34L23.6Very low24.4Very low165 Ų165153 Ų15386%0.86482%0.824SS**  trans-58.6124174.3-72.1166.3000110.2
35K24.9Very low24.3Very low206 Ų206158 Ų15890%0.89683%0.834SS**  trans-98.785.4171.3-73.4-172.8177-178.30110.2G33G33-K35 PolarHBondContact O-N 3.33Å
36T26.5Very low24.3Very low129 Ų129155.4 Ų155.479%0.79183%0.833SS**PPolyproline II helixtrans-67.8137.3165.445.90000109.8S38T36-S38 PolarHBondContact O-N 3.2Å
37K24.9Very low24.1Very low197 Ų197158.6 Ų158.686%0.85784%0.836SS**PPolyproline II helixtrans-67.5117.3179-72.2176.8179.7171.80109.4H39K37-H39 PolarHBondContact O-N 3.29Å
38S23.9Very low24Very low118 Ų118157.3 Ų157.383%0.82583%0.827SS**PPolyproline II helixtrans-68118.7172.7510000110.7T36T36-S38 PolarHBondContact O-N 3.2Å
39H24.8Very low24Very low182 Ų182161.4 Ų161.484%0.84384%0.841SS**PPolyproline II helixtrans-77.1144.5162.5-113.6-87.4000109.9K37K37-H39 PolarHBondContact O-N 3.29Å
40E19.5Very low23.8Very low182 Ų182158 Ų15885%0.8584%0.835SS**PPolyproline II helixtrans-66.4128.1175.5-63.2165.9126.900110.8
41I24.2Very low23.8Very low168 Ų168158 Ų15886%0.86283%0.834SS**  trans-130.8138.2153.9-63.1-175.1000108.2
42H21Very low23.5Very low160 Ų160158.8 Ų158.874%0.74183%0.829SS**  trans-75.7160.9-172.3-108.5-121.5000114.3
43E23Very low23.7Very low186 Ų186154.5 Ų154.587%0.86982%0.823SS**  trans74.3146.5154.1-71177-168.500121
44G24.2Very low23.7Very low79 Ų79158.2 Ų158.281%0.81483%0.832SS**  trans144.470.7174.900000115.3
45K21.2Very low23.7Very low205 Ų205153.6 Ų153.689%0.89182%0.824SS**  trans-83.8128.7175.9-63.8164.4-178.1160.50111.6
46S25Very low23.7Very low120 Ų120149.3 Ų149.384%0.83982%0.82SS**  trans-164.8111.6151.7-85.80000108.1
47K24.3Very low23.5Very low192 Ų192148.2 Ų148.284%0.83582%0.818SS**  67.6100.960.1-76.8-165.4174.3-177.40116
48S20.9Very low23.5Very low103 Ų103145 Ų14572%0.7282%0.815SS**  trans56.5119.9136.361.90000121.2
49L23.6Very low23.6Very low170 Ų170145 Ų14589%0.8982%0.815SS**  trans174.2147.6133.6-89.4153.3000106
50C22.4Very low23.5Very low100 Ų100144 Ų14468%0.67681%0.814SS**  cis-176.7141.5-30.6-121.70000108
51R24Very low23.7Very low238 Ų238140.8 Ų140.890%0.89881%0.812SS**  trans74.9128.7154.8-66.7-176.2170.4-177.8-2.8121.5
52N22.1Very low23.6Very low150 Ų150140.7 Ų140.780%0.80281%0.81SS**  trans-75.8157168.3-47.4-30.8000112.5
53P29.3Very low23.8Very low128 Ų128139 Ų13983%0.83181%0.813SS**  trans-82.1169.314434.6-29.8000111.7
54V23.8Very low23.9Very low144 Ų144137.7 Ų137.787%0.87381%0.81SS**  trans-119.3137.2-159.2170.90000113.2
55G24.1Very low24Very low69 Ų69138.4 Ų138.471%0.71181%0.808SS**  trans88106.4138.100000119.9
56S24.7Very low24Very low115 Ų115140 Ų14080%0.80481%0.809SS**  -178.6127.5100.562.30000113.1
57S23.2Very low23.9Very low106 Ų106139.4 Ų139.474%0.74180%0.802SS**  trans-7.8143.3146.156.70000118.3
58T24.6Very low24Very low130 Ų130139.7 Ų139.780%0.79880%0.803SS**  cis-152.8133.222.5460000112.9
59S25Very low23.9Very low118 Ų118145.3 Ų145.383%0.82581%0.809SS**  trans-157.3108152.951.10000111.2
60I24.6Very low24Very low160 Ų160143.3 Ų143.382%0.82180%0.803SS**  trans-89110.7179.7-65.9171.8000108.8M62I60-M62 HydrophobicContact CG2-CG 4.29Å
61S22.4Very low24.2Very low115 Ų115141.8 Ų141.880%0.80481%0.805SS**  trans-99.1120.4165.550.20000109.8
62M23Very low24.1Very low167 Ų167136.5 Ų136.582%0.82380%0.804SS**  trans-105.1134.7170-80.8-167.2171.400110.5I60I60-M62 HydrophobicContact CG2-CG 4.29Å
63P25.6Very low24.2Very low124 Ų124141.5 Ų141.581%0.80581%0.812SS**  trans-86.6129.9-173.232.8-34.2000112.8
64I23.6Very low23.9Very low159 Ų159144.9 Ų144.982%0.81581%0.813SS**  trans-99.797.5173.4-60.3178000109.7
65A26.3Very low23.9Very low93 Ų93148 Ų14877%0.76982%0.815SS**  trans-71.8134.6176.500000112.3
66W20.7Very low23.6Very low240 Ų240149.4 Ų149.491%0.90981%0.814SS**  trans-76.1130.2173.6-82.141.1000111.4K68W66-K68 PolarHBondContact O-N 3.23Å
67P24.5Very low23.5Very low107 Ų107151.1 Ų151.170%0.69581%0.814SS**  trans-78.3114.3-178.529.6-33.5000112.2R69P67-R69 PolarHBondContact O-N 3.09Å
68K24.7Very low23.3Very low197 Ų197151.9 Ų151.986%0.85782%0.815SS**  trans-61.1114.4167.9-69.7179.2178.5176.40110.1W66 V70W66-K68 PolarHBondContact O-N 3.23Å; K68-V70 HydrophobicContact CB-CG2 4.38Å; K68-V70 PolarHBondContact O-N 3.39Å
69R20.5Very low23Very low222 Ų222151 Ų15184%0.83881%0.814SS**  trans-87.387.5171-166.5-173.7-65.8-148.76.1109.5P67P67-R69 PolarHBondContact O-N 3.09Å
70V26Very low22.9Very low127 Ų127151.9 Ų151.977%0.7782%0.815SS**PPolyproline II helixtrans-81.9148.6172.3-175.60000109.7K68K68-V70 HydrophobicContact CB-CG2 4.38Å; K68-V70 PolarHBondContact O-N 3.39Å
71G26.1Very low22.6Very low69 Ų69152.6 Ų152.671%0.71181%0.814SS**PPolyproline II helixtrans-68166.5-170.100000116.2R73G71-R73 PolarHBondContact O-N 2.92Å
72S22.1Very low22.5Very low126 Ų126157.2 Ų157.288%0.88182%0.82SS**PPolyproline II helixtrans-56.1122.8-173.3-48.20000114.3
73R22.4Very low22.3Very low255 Ų255158.1 Ų158.196%0.96282%0.822SS**PPolyproline II helixtrans-69.4131.9159.7-94.5-179.1173.4167.5-2.6109.7G71G71-R73 PolarHBondContact O-N 2.92Å
74K23.3Very low22.1Very low200 Ų200159.5 Ų159.587%0.8782%0.818SS**  trans-130.7140.8163.5-133.1-179.2-174.6-177.70108.3
75K23.6Very low22.1Very low208 Ų208159.7 Ų159.790%0.90481%0.813SS**  trans79.4120.7179.9-61.9-167.7172-171.70117.9
76S19.4Very low21.8Very low100 Ų100160.5 Ų160.570%0.69981%0.813SS**  trans-80.2146.7148.552.30000110
77N21.2Very low22.1Very low151 Ų151158.4 Ų158.481%0.80781%0.813SS**  168.3146.1123.1-87.416.2000110.9
78T19.7Very low21.8Very low121 Ų121159.6 Ų159.674%0.74282%0.823SS**  trans-51.5154.2178.1440000118.1
79S18.5Very low21.6Very low111 Ų111153.3 Ų153.378%0.77681%0.814SS**  trans65.4128.9153.2-48.50000116.8
80T22.1Very low21.7Very low138 Ų138148 Ų14885%0.84781%0.806SS**  cis-153171.248.312.40000112.6
81E18Very low21.4Very low175 Ų175150.5 Ų150.582%0.81881%0.807SS**  trans-69.5144.4174.9-62.8151.5138.700112.7
82F21.9Very low21.4Very low212 Ų212156.7 Ų156.793%0.9381%0.814SS**  trans-152.6119.1143.8-113.6-78.6000108.4
83E18.6Very low21.3Very low185 Ų185160.2 Ų160.286%0.86482%0.817SS**  trans-75.4135.6168.9-63-178.5114.800109.8
84E21.6Very low21.6Very low153 Ų153153.8 Ų153.872%0.71581%0.811SS**  trans-157.8118.1130.7-113.2-167142.700112.2
85K22.4Very low21.5Very low164 Ų164151.7 Ų151.771%0.71381%0.808SS**  trans57.3107.4144.2-66.7163.6-175.9162.90119.6
86S21.5Very low21.6Very low109 Ų109148.2 Ų148.276%0.76281%0.805SS**  trans47.6126.2134.160.40000119.4
87E25.1Very low21.8Very low196 Ų196150.3 Ų150.392%0.91681%0.808SS**  cis-139.514323.5-64173.6115.100112.2
88C18.9Very low22.3Very low132 Ų132150.1 Ų150.189%0.89281%0.812SS**  trans-124.7130.6169.8178.10000108.4
89G21.7Very low22.6Very low65 Ų65148 Ų14867%0.6781%0.807SS**  trans-142.2-6.5-160.400000120.4
90T20.9Very low23Very low111 Ų111150.1 Ų150.168%0.68181%0.81SS**  trans61.1143.4163.537.40000123
91K20.7Very low23.3Very low180 Ų180150 Ų15078%0.78380%0.804SS**  trans62.6109.3139.3-65.7163.1-173.3169.90119.5
92K25.9Very low24.2Very low199 Ų199146.2 Ų146.287%0.86579%0.789SS**  -172132.389.5-99.1164.6-175.1174.40111.9
93Q20.8Very low24.6Very low199 Ų199144.8 Ų144.893%0.9378%0.783SS**  trans-78130155.2-70.1166.7-41.300107.4
94S27.2Very low25.4Very low121 Ų121145 Ų14585%0.84678%0.777SS**  trans-110.6125.1159.849.60000108.7
95L21.1Very low26Very low155 Ų155144 Ų14481%0.81277%0.77SS**  trans-91.4137.6-178.7-15382.6000108.6
96T26.5Very low26.7Very low135 Ų135143 Ų14383%0.82877%0.766SS**  165.8149.3128.739.80000111.7
97D22.7Very low27.6Very low145 Ų145144 Ų14478%0.77576%0.758SS**  trans-89.2139.6-166-53.2-90.6000114.7
98V31.5Very low28.5Very low146 Ų146138.3 Ų138.389%0.88574%0.737SS**  trans-13391.6145.9-179.20000107.4
99A27.8Very low29.8Very low78 Ų78135.9 Ų135.965%0.64572%0.715SS**  trans-78.4160.8171.900000111
100N26.1Very low31.9Very low154 Ų154135.9 Ų135.982%0.82470%0.702SS**SBendtrans75.557.2175.9-57.7-18.6000117.7
101N28.6Very low33.3Very low137 Ų137137.2 Ų137.273%0.73370%0.701SS**SBendtrans-150.3-1.2142.6-109.6-33.8000115.9K103N101-K103 PolarHBondContact O-N 3.34Å
102D35.7Very low35.1Very low95 Ų95135.1 Ų135.151%0.50869%0.692SS.*Hα-helixtrans-81.1-6.3-170-83-12.8000116.8K106D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 WeakPolarHBondContact O-CG 3.41Å; D102-K106 PolarHBondContact O-N 3.24Å
103K32.1Very low36.8Very low181 Ų181132 Ų13279%0.78768%0.68SS**Hα-helixtrans-67.2-44-178.8-158179.3-178.2-172.60111.3N101 E107N101-K103 PolarHBondContact O-N 3.34Å; K103-E107 PolarHBondContact O-N 3Å
104Y33.6Very low38.5Very low191 Ų191131.8 Ų131.875%0.74967%0.671SS**Hα-helixtrans-69.7-41175.7-76.3-81000112.5E107 T108Y104-E107 PolarHBondContact O-N 3.37Å; Y104-T108 PolarHBondContact O-N 3.44Å; Y104-T108 PolarHBondContact O-OG1 2.84Å
105K36.1Very low40Very low132 Ų132131.6 Ų131.657%0.57466%0.655SS**Hα-helixtrans-60.4-46.8175.9-85.9-177.2175.6174.30112.6E107 T108 D109K105-E107 VanDerWaalsContact C-N 3.27Å; K105-E107 PolarHBondContact O-N 3Å; K105-T108 PolarHBondContact O-N 2.89Å; K105-T108 PolarHBondContact O-OG1 3Å; K105-D109 WeakPolarHBondContact O-CB 3.3Å; K105-D109 PolarHBondContact O-N 2.97Å
106K35.7Very low41.6Very low141 Ų141129.1 Ų129.161%0.61364%0.635SS**Hα-helixtrans-61.1-32.6179.1-81.1178176.7167.80113.4D102 T110D102-K106 WeakPolarHBondContact O-CB 3.48Å; D102-K106 WeakPolarHBondContact O-CG 3.41Å; D102-K106 PolarHBondContact O-N 3.24Å; K106-T110 WeakPolarHBondContact O-CB 3.46Å; K106-T110 VanDerWaalsContact O-CG2 3.29Å; K106-T110 WeakPolarHBondContact O-CG2 3.31Å; K106-T110 PolarHBondContact O-N 2.95Å; K106-T110 PolarHBondContact O-OG1 3.29Å
107E40Very low43.1Very low130 Ų130129.5 Ų129.561%0.60762%0.621SS**Hα-helixtrans-73.9-41.4177.8-161.6141.4-141.900111.6K103 Y104 K105 T110 Q111K103-E107 PolarHBondContact O-N 3Å; Y104-E107 PolarHBondContact O-N 3.37Å; K105-E107 VanDerWaalsContact C-N 3.27Å; K105-E107 PolarHBondContact O-N 3Å; E107-T110 WeakPolarHBondContact CA-OG1 3.39Å; E107-T110 PolarHBondContact O-N 3.44Å; E107-T110 PolarHBondContact O-OG1 2.93Å; E107-T110 VanDerWaalsContact O-OG1 3.1Å; E107-Q111 PolarHBondContact O-N 3.18Å
108T44Very low45Very low78 Ų78128.5 Ų128.548%0.47961%0.61SS.*Hα-helixtrans-65.7-39.3172.252.50000113.3Y104 K105 Q111 K112Y104-T108 PolarHBondContact O-N 3.44Å; Y104-T108 PolarHBondContact O-OG1 2.84Å; K105-T108 PolarHBondContact O-N 2.89Å; K105-T108 PolarHBondContact O-OG1 3Å; T108-Q111 PolarHBondContact O-N 3.21Å; T108-K112 PolarHBondContact O-N 3.36Å
109D46.5Very low46.1Very low80 Ų80124.3 Ų124.343%0.42858%0.58SS.*Hα-helixtrans-71.8-35.8178.4-77-24.4000111.8K105 K112 Q113K105-D109 WeakPolarHBondContact O-CB 3.3Å; K105-D109 PolarHBondContact O-N 2.97Å; D109-K112 PolarHBondContact O-N 2.87Å; D109-Q113 VanDerWaalsContact O-CB 3.31Å; D109-Q113 WeakPolarHBondContact O-CB 3.5Å; D109-Q113 VanDerWaalsContact O-CG 3.25Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.45Å
110T66.6Low47.4Very low65 Ų65124.8 Ų124.840%0.39957%0.565SS.*Hα-helixtrans-70.4-31.6173.650.20000112.7K106 E107 R114K106-T110 WeakPolarHBondContact O-CB 3.46Å; K106-T110 VanDerWaalsContact O-CG2 3.29Å; K106-T110 WeakPolarHBondContact O-CG2 3.31Å; K106-T110 PolarHBondContact O-N 2.95Å; K106-T110 PolarHBondContact O-OG1 3.29Å; E107-T110 WeakPolarHBondContact CA-OG1 3.39Å; E107-T110 PolarHBondContact O-N 3.44Å; E107-T110 PolarHBondContact O-OG1 2.93Å; E107-T110 VanDerWaalsContact O-OG1 3.1Å; T110-R114 WeakPolarHBondContact O-CB 3.37Å; T110-R114 VanDerWaalsContact O-CG 3.22Å; T110-R114 WeakPolarHBondContact O-CG 3.45Å; T110-R114 PolarHBondContact O-N 3.18Å
111Q49.5Very low49Very low140 Ų140120 Ų12065%0.65454%0.539SS*.Hα-helixtrans-64.5-49.8167.4-83.4-168.2-3.900112E107 T108 Q113 R114 F115E107-Q111 PolarHBondContact O-N 3.18Å; T108-Q111 PolarHBondContact O-N 3.21Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.04Å; Q111-R114 PolarHBondContact O-N 3.24Å; Q111-F115 WeakPolarHBondContact O-CB 3.25Å; Q111-F115 PolarHBondContact O-N 3.39Å
112K59.2Low50.2Low136 Ų136115.8 Ų115.859%0.59153%0.528SS*.Hα-helixtrans-56.9-45.1175.2-81.4-178.6176.2175.40111.8T108 D109 F115 W116T108-K112 PolarHBondContact O-N 3.36Å; D109-K112 PolarHBondContact O-N 2.87Å; K112-F115 PolarHBondContact O-N 3.34Å; K112-W116 PolarHBondContact O-N 3.31Å
113Q60.8Low50.8Low133 Ų133115.2 Ų115.262%0.62152%0.522SS*.Hα-helixtrans-64.2-40.8176.8-74.617911.500112.3D109 Q111 R117D109-Q113 VanDerWaalsContact O-CB 3.31Å; D109-Q113 WeakPolarHBondContact O-CB 3.5Å; D109-Q113 VanDerWaalsContact O-CG 3.25Å; D109-Q113 WeakPolarHBondContact O-CG 3.29Å; D109-Q113 PolarHBondContact O-N 3.45Å; Q111-Q113 VanDerWaalsContact C-N 3.33Å; Q111-Q113 PolarHBondContact O-N 3.04Å; Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.23Å
114R57.7Low51.8Low195 Ų195108.1 Ų108.174%0.73649%0.493SS*.Hα-helixtrans-62.1-43174-78.7173.9178.7-168.82111.8T110 Q111 R117 F118T110-R114 WeakPolarHBondContact O-CB 3.37Å; T110-R114 VanDerWaalsContact O-CG 3.22Å; T110-R114 WeakPolarHBondContact O-CG 3.45Å; T110-R114 PolarHBondContact O-N 3.18Å; Q111-R114 PolarHBondContact O-N 3.24Å; R114-R117 PolarHBondContact O-N 3.4Å; R114-F118 PolarHBondContact O-N 3.39Å
115F57.3Low52.6Low117 Ų117106 Ų10651%0.51350%0.495SS..Hα-helixtrans-61.2-51.5176.2-178.5-94000111.7Q111 K112 R117 F118 F119Q111-F115 WeakPolarHBondContact O-CB 3.25Å; Q111-F115 PolarHBondContact O-N 3.39Å; K112-F115 PolarHBondContact O-N 3.34Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.48Å; F115-F118 WeakPolarHBondContact O-CB 3.22Å; F115-F118 PolarHBondContact O-N 3.19Å; F115-F119 HydrophobicContact CD1-CD2 4.33Å; F115-F119 HydrophobicContact CD1-CE2 4.44Å; F115-F119 HydrophobicContact CD2-CE2 4.46Å; F115-F119 HydrophobicContact CE1-CD2 4.03Å; F115-F119 AromaticContact CE1-CE2 3.82Å; F115-F119 HydrophobicContact CE1-CE2 3.82Å; F115-F119 AromaticContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CZ-CD2 4.16Å; F115-F119 AromaticContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CE2 3.49Å; F115-F119 VanDerWaalsContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CZ 4.37Å; F115-F119 PolarHBondContact O-N 3.33Å
116W55.7Low53.7Low103 Ų103104.6 Ų104.639%0.3949%0.489SS..Hα-helixtrans-64.9-34.9176.8-73.7117.5000113.1K112 F118 F119 R120 P141K112-W116 PolarHBondContact O-N 3.31Å; W116-F118 VanDerWaalsContact C-N 3.33Å; W116-F118 PolarHBondContact O-N 2.96Å; W116-F119 PolarHBondContact O-N 3.24Å; W116-R120 WeakPolarHBondContact O-CG 3.29Å; W116-R120 PolarHBondContact O-N 3.1Å; W116-P141 HydrophobicContact CH2-CB 3.88Å; W116-P141 HydrophobicContact CH2-CG 4.45Å; W116-P141 HydrophobicContact CZ3-CB 3.83Å; W116-P141 HydrophobicContact CZ3-CG 4.46Å
117R58.9Low55.1Low142 Ų142100.8 Ų100.854%0.53648%0.48SS..Hα-helixtrans-66-34.4174.9-166.3178-165.2-174.15.6112.2Q113 R114 F115 I121 L135Q113-R117 WeakPolarHBondContact O-CB 3.31Å; Q113-R117 PolarHBondContact O-N 3.23Å; R114-R117 PolarHBondContact O-N 3.4Å; F115-R117 VanDerWaalsContact C-N 3.33Å; F115-R117 PolarHBondContact O-N 3.48Å; R117-I121 HydrophobicContact CG-CD1 3.82Å; R117-I121 HydrophobicContact CG-CG1 4.49Å; R117-I121 WeakPolarHBondContact O-CB 3.34Å; R117-I121 WeakPolarHBondContact O-CG1 3.12Å; R117-I121 PolarHBondContact O-N 2.82Å; R117-I121 VanDerWaalsContact O-N 3.14Å; R117-L135 HydrophobicContact CG-CD2 4.31Å
118F61.7Low56.3Low124 Ų124104 Ų10454%0.54449%0.492SS..Hα-helixtrans-61.5-48.8171.5174.9-95.3000111.1R114 F115 W116 I121 G122 F123R114-F118 PolarHBondContact O-N 3.39Å; F115-F118 WeakPolarHBondContact O-CB 3.22Å; F115-F118 PolarHBondContact O-N 3.19Å; W116-F118 VanDerWaalsContact C-N 3.33Å; W116-F118 PolarHBondContact O-N 2.96Å; F118-I121 PolarHBondContact O-N 3.41Å; F118-G122 WeakPolarHBondContact O-CA 3.41Å; F118-G122 PolarHBondContact O-N 2.85Å; F118-F123 HydrophobicContact CE1-CE2 4.35Å
119F54Low57.5Low58 Ų58108 Ų10825%0.25450%0.503SS..Hα-helixtrans-64.2-42.2177.4-83.9-85000113.4F115 W116 I121 F123F115-F119 HydrophobicContact CD1-CD2 4.33Å; F115-F119 HydrophobicContact CD1-CE2 4.44Å; F115-F119 HydrophobicContact CD2-CE2 4.46Å; F115-F119 HydrophobicContact CE1-CD2 4.03Å; F115-F119 AromaticContact CE1-CE2 3.82Å; F115-F119 HydrophobicContact CE1-CE2 3.82Å; F115-F119 AromaticContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CE2-CE2 3.84Å; F115-F119 HydrophobicContact CZ-CD2 4.16Å; F115-F119 AromaticContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CE2 3.49Å; F115-F119 VanDerWaalsContact CZ-CE2 3.49Å; F115-F119 HydrophobicContact CZ-CZ 4.37Å; F115-F119 PolarHBondContact O-N 3.33Å; W116-F119 PolarHBondContact O-N 3.24Å; F119-I121 PolarHBondContact O-N 3.04Å; F119-F123 HydrophobicContact CD1-CE2 4.18Å; F119-F123 HydrophobicContact CE1-CE2 4.36Å
120R55.9Low58Low88 Ų88108.8 Ų108.833%0.33250%0.504SS..Hα-helixtrans-63-36.9178-71.6-178.8-170.7172.43.8113.6W116 T124W116-R120 WeakPolarHBondContact O-CG 3.29Å; W116-R120 PolarHBondContact O-N 3.1Å; R120-T124 WeakPolarHBondContact O-CG2 3.41Å
121I59.7Low58Low54 Ų54108.6 Ų108.628%0.27750%0.497SS..Hα-helixtrans-97.6-41.6-173.9-59.4177.7000112.3R117 F118 F119 F123 T124 K131 L135R117-I121 HydrophobicContact CG-CD1 3.82Å; R117-I121 HydrophobicContact CG-CG1 4.49Å; R117-I121 WeakPolarHBondContact O-CB 3.34Å; R117-I121 WeakPolarHBondContact O-CG1 3.12Å; R117-I121 PolarHBondContact O-N 2.82Å; R117-I121 VanDerWaalsContact O-N 3.14Å; F118-I121 PolarHBondContact O-N 3.41Å; F119-I121 PolarHBondContact O-N 3.04Å; I121-F123 PolarHBondContact O-N 3.48Å; I121-F123 VanDerWaalsContact O-N 3.09Å; I121-T124 PolarHBondContact O-N 3.28Å; I121-T124 PolarHBondContact O-OG1 2.77Å; I121-K131 HydrophobicContact CG2-CD 4.31Å; I121-L135 HydrophobicContact CD1-CD2 4.31Å
122G54.6Low58.6Low49 Ų49104.5 Ų104.551%0.50549%0.488SS..Hα-helixtrans-60.2-27.1-162.400000115.3F118F118-G122 WeakPolarHBondContact O-CA 3.41Å; F118-G122 PolarHBondContact O-N 2.85Å
123F46.9Very low58.4Low83 Ų83101.8 Ų101.836%0.36448%0.48SS..THydrogen-bonded Turntrans-109.52.6-175.4-57.8-74.9000114.3F118 F119 I121 V148 K151F118-F123 HydrophobicContact CE1-CE2 4.35Å; F119-F123 HydrophobicContact CD1-CE2 4.18Å; F119-F123 HydrophobicContact CE1-CE2 4.36Å; I121-F123 PolarHBondContact O-N 3.48Å; I121-F123 VanDerWaalsContact O-N 3.09Å; F123-V148 HydrophobicContact CB-CG2 4.26Å; F123-V148 HydrophobicContact CD2-CG2 3.68Å; F123-V148 HydrophobicContact CE2-CG2 4.17Å; F123-V148 HydrophobicContact CG-CG2 3.89Å; F123-K151 WeakPolarHBondContact O-CE 3.48Å; F123-K151 PolarHBondContact O-NZ 3.14Å
124T53.8Low58.2Low32 Ų3296.5 Ų96.520%0.19646%0.455CS..  trans-92.9133.9-177.1660000112.9R120 I121 K126 K131 L134R120-T124 WeakPolarHBondContact O-CG2 3.41Å; I121-T124 PolarHBondContact O-N 3.28Å; I121-T124 PolarHBondContact O-OG1 2.77Å; T124-K126 PolarHBondContact O-N 2.95Å; T124-K131 WeakPolarHBondContact O-CE 3.38Å; T124-K131 PolarHBondContact O-NZ 3.37Å; T124-K131 WeakPolarHBondContact OG1-CE 3.42Å; T124-L134 HydrophobicContact CG2-CD1 4.08Å
125N50.4Low58Low147 Ų14790.7 Ų90.779%0.78644%0.438SS*.  trans-84.55.3173.4-7217.5000112.8K151N125-K151 PolarHBondContact OD1-NZ 2.85Å
126K59.8Low57.8Low102 Ų10289.1 Ų89.144%0.44344%0.442SS..  trans-65.3151.9-177.1-63.2-156.9-166.5179.80112.1T124 Q130 K131 L134T124-K126 PolarHBondContact O-N 2.95Å; K126-Q130 HydrophobicContact CB-CB 3.74Å; K126-Q130 HydrophobicContact CD-CB 4.07Å; K126-Q130 HydrophobicContact CG-CB 4.46Å; K126-K131 HydrophobicContact CB-CG 4.28Å; K126-K131 WeakPolarHBondContact O-CD 3.46Å; K126-K131 WeakPolarHBondContact O-CE 3.5Å; K126-L134 HydrophobicContact CD-CD1 3.78Å; K126-L134 HydrophobicContact CD-CG 4.31Å; K126-L134 HydrophobicContact CG-CD1 4.39Å
127S63.5Low57.3Low60 Ų6089.5 Ų89.542%0.4245%0.452SS..  trans-64.9165.5-179.376.90000112.4K129 Q130 K131S127-K129 PolarHBondContact O-N 2.79Å; S127-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.09Å; S127-K131 WeakPolarHBondContact O-CB 3.5Å; S127-K131 WeakPolarHBondContact O-CG 3.22Å; S127-K131 PolarHBondContact O-N 3.4Å
128K66.7Low56.4Low198 Ų19891.5 Ų91.586%0.86147%0.467SS*.Hα-helixtrans-54.1-38.6178-93.4-174.8176.6177.80113K131 A132K128-K131 PolarHBondContact O-N 2.85Å; K128-A132 PolarHBondContact O-N 3.32Å
129K67.9Low55.8Low163 Ų16388.6 Ų88.671%0.70946%0.457SS*.Hα-helixtrans-67.1-52177.1-171.3176.5179-177.90111S127 K131 A132 D133S127-K129 PolarHBondContact O-N 2.79Å; K129-K131 PolarHBondContact O-N 3.4Å; K129-A132 WeakPolarHBondContact O-CA 3.39Å; K129-A132 VanDerWaalsContact O-CB 3.31Å; K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.38Å; K129-D133 VanDerWaalsContact O-CG 3.32Å; K129-D133 PolarHBondContact O-N 3.11Å
130Q58.5Low55.5Low95 Ų9588.2 Ų88.244%0.44446%0.461SS..Hα-helixtrans-62.1-26.4176.5-68.2170.2-17.300113.7K126 S127 L134K126-Q130 HydrophobicContact CB-CB 3.74Å; K126-Q130 HydrophobicContact CD-CB 4.07Å; K126-Q130 HydrophobicContact CG-CB 4.46Å; S127-Q130 PolarHBondContact O-N 2.92Å; S127-Q130 WeakPolarHBondContact OG-CG 3.42Å; S127-Q130 PolarHBondContact OG-N 3.09Å; Q130-L134 WeakPolarHBondContact O-CB 3.08Å; Q130-L134 VanDerWaalsContact O-CG 3.29Å; Q130-L134 WeakPolarHBondContact O-CG 3.07Å; Q130-L134 PolarHBondContact O-N 2.82Å
131K64.8Low54.9Low62 Ų6286.8 Ų86.827%0.2746%0.463SS..Hα-helixtrans-74.8-23.3171.5-79.1177.8170.5174.10113.2I121 T124 K126 S127 K128 K129I121-K131 HydrophobicContact CG2-CD 4.31Å; T124-K131 WeakPolarHBondContact O-CE 3.38Å; T124-K131 PolarHBondContact O-NZ 3.37Å; T124-K131 WeakPolarHBondContact OG1-CE 3.42Å; K126-K131 HydrophobicContact CB-CG 4.28Å; K126-K131 WeakPolarHBondContact O-CD 3.46Å; K126-K131 WeakPolarHBondContact O-CE 3.5Å; S127-K131 WeakPolarHBondContact O-CB 3.5Å; S127-K131 WeakPolarHBondContact O-CG 3.22Å; S127-K131 PolarHBondContact O-N 3.4Å; K128-K131 PolarHBondContact O-N 2.85Å; K129-K131 PolarHBondContact O-N 3.4Å
132A63.5Low54.1Low54 Ų5490.4 Ų90.445%0.44648%0.477SS..Hα-helixtrans-79-40.9168.500000110.9K128 K129 L134 L135K128-A132 PolarHBondContact O-N 3.32Å; K129-A132 WeakPolarHBondContact O-CA 3.39Å; K129-A132 VanDerWaalsContact O-CB 3.31Å; K129-A132 WeakPolarHBondContact O-CB 3.49Å; K129-A132 PolarHBondContact O-N 3.38Å; A132-L134 VanDerWaalsContact C-N 3.26Å; A132-L134 PolarHBondContact O-N 3.1Å; A132-L135 WeakPolarHBondContact O-CA 3.16Å; A132-L135 VanDerWaalsContact O-CB 3.3Å; A132-L135 WeakPolarHBondContact O-CB 3.46Å; A132-L135 PolarHBondContact O-N 3.5Å
133D55.4Low53.9Low79 Ų7991.8 Ų91.842%0.42247%0.473SS..Hα-helixtrans-64.8-31.1175.4-50-32.9000111.7K129 L135 S136 N137K129-D133 VanDerWaalsContact O-CG 3.32Å; K129-D133 PolarHBondContact O-N 3.11Å; D133-L135 PolarHBondContact O-N 3.21Å; D133-S136 PolarHBondContact O-N 3.41Å; D133-S136 PolarHBondContact O-OG 3.2Å; D133-N137 PolarHBondContact O-N 3.21Å
134L55.4Low53.9Low22 Ų2288.6 Ų88.612%0.11546%0.462CS..Hα-helixtrans-66-8.8168.5-83176000114.7T124 K126 Q130 A132 I139T124-L134 HydrophobicContact CG2-CD1 4.08Å; K126-L134 HydrophobicContact CD-CD1 3.78Å; K126-L134 HydrophobicContact CD-CG 4.31Å; K126-L134 HydrophobicContact CG-CD1 4.39Å; Q130-L134 WeakPolarHBondContact O-CB 3.08Å; Q130-L134 VanDerWaalsContact O-CG 3.29Å; Q130-L134 WeakPolarHBondContact O-CG 3.07Å; Q130-L134 PolarHBondContact O-N 2.82Å; A132-L134 VanDerWaalsContact C-N 3.26Å; A132-L134 PolarHBondContact O-N 3.1Å; L134-I139 HydrophobicContact CD2-CD1 3.33Å; L134-I139 HydrophobicContact CD2-CG1 4.35Å
135L54.3Low53.3Low72 Ų7291.8 Ų91.838%0.37748%0.477SS..Hα-helixtrans-96.2-16.1172.5-66.5168.7000112.7R117 I121 A132 D133R117-L135 HydrophobicContact CG-CD2 4.31Å; I121-L135 HydrophobicContact CD1-CD2 4.31Å; A132-L135 WeakPolarHBondContact O-CA 3.16Å; A132-L135 VanDerWaalsContact O-CB 3.3Å; A132-L135 WeakPolarHBondContact O-CB 3.46Å; A132-L135 PolarHBondContact O-N 3.5Å; D133-L135 PolarHBondContact O-N 3.21Å
136S53.5Low53.2Low85 Ų8592.7 Ų92.759%0.59447%0.47SS*.Hα-helixtrans-90.6-24.717761.20000113.7D133D133-S136 PolarHBondContact O-N 3.41Å; D133-S136 PolarHBondContact O-OG 3.2Å
137N43.6Very low52.7Low111 Ų11192.3 Ų92.359%0.59447%0.473SS*.SBendtrans-108.5128.4-177.6-64.316.9000110.9D133 I139D133-N137 PolarHBondContact O-N 3.21Å; N137-I139 PolarHBondContact O-N 3.4Å
138E41Very low52Low183 Ų18391.1 Ų91.186%0.85546%0.463SS*.  trans-73.192.7-179.9-62.4-159.4141.300111.8
139I48.9Very low51.3Low64 Ų6485.2 Ų85.233%0.32845%0.446SS..  trans-77.4130.4165.6-64.2-169.8000109.5L134 N137 D143L134-I139 HydrophobicContact CD2-CD1 3.33Å; L134-I139 HydrophobicContact CD2-CG1 4.35Å; N137-I139 PolarHBondContact O-N 3.4Å; I139-D143 HydrophobicContact CG2-CB 3.62Å
140S47.4Very low50.2Low49 Ų4981.7 Ų81.734%0.34344%0.435SS..  trans-55.8141177.6176.30000111.9F142 D143 A144S140-F142 PolarHBondContact O-N 3.07Å; S140-F142 VanDerWaalsContact O-N 3.11Å; S140-F142 PolarHBondContact OG-N 3.19Å; S140-D143 PolarHBondContact O-N 3.39Å; S140-D143 VanDerWaalsContact O-N 3.1Å; S140-A144 PolarHBondContact O-N 3.41Å
141P42.6Very low49.5Very low58 Ų5881.3 Ų81.338%0.37743%0.432SS..Hα-helixtrans-51-32.6171.9-29.136.8000114.1W116 A144 L145W116-P141 HydrophobicContact CH2-CB 3.88Å; W116-P141 HydrophobicContact CH2-CG 4.45Å; W116-P141 HydrophobicContact CZ3-CB 3.83Å; W116-P141 HydrophobicContact CZ3-CG 4.46Å; P141-A144 PolarHBondContact O-N 3.19Å; P141-L145 PolarHBondContact O-N 3.4Å
142F43.1Very low48.6Very low131 Ų13184.2 Ų84.258%0.57545%0.447SS*.Hα-helixtrans-70-36.9179.7-68.7-84.3000112.9S140 A144 L145 R146 H1670S140-F142 PolarHBondContact O-N 3.07Å; S140-F142 VanDerWaalsContact O-N 3.11Å; S140-F142 PolarHBondContact OG-N 3.19Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 2.9Å; F142-L145 PolarHBondContact O-N 3.11Å; F142-R146 PolarHBondContact O-N 3.27Å; F142-H1670 AromaticContact CE1-NE2 3.81Å
143D50.7Low47.7Very low77 Ų7784.8 Ų84.841%0.41245%0.447SS..Hα-helixtrans-68.4-34.1174.6-68.6-46.1000111.5I139 S140 R146 N147I139-D143 HydrophobicContact CG2-CB 3.62Å; S140-D143 PolarHBondContact O-N 3.39Å; S140-D143 VanDerWaalsContact O-N 3.1Å; D143-R146 PolarHBondContact O-N 2.91Å; D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.49Å
144A46.6Very low46.9Very low17 Ų1787.4 Ų87.414%0.1446%0.457CS..Hα-helixtrans-63.3-41.4173.800000111.6S140 P141 F142 V148S140-A144 PolarHBondContact O-N 3.41Å; P141-A144 PolarHBondContact O-N 3.19Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 2.9Å; A144-V148 WeakPolarHBondContact O-CG2 3.37Å; A144-V148 PolarHBondContact O-N 3.18Å
145L42.1Very low45.9Very low98 Ų9890.7 Ų90.751%0.51347%0.47SS..Hα-helixtrans-65.6-42.3173.4-73.4167.4000112.2P141 F142 N147 V148 S149P141-L145 PolarHBondContact O-N 3.4Å; F142-L145 PolarHBondContact O-N 3.11Å; L145-N147 PolarHBondContact O-N 3.32Å; L145-V148 WeakPolarHBondContact O-CB 3.45Å; L145-V148 PolarHBondContact O-N 2.97Å; L145-V148 VanDerWaalsContact O-N 3.1Å; L145-S149 PolarHBondContact O-N 3.4Å
146R48.2Very low45.4Very low166 Ų16691.4 Ų91.463%0.62648%0.477SS*.Hα-helixtrans-60.2-45.3178.1-160.2177.1-166.8-171.34.5112F142 D143 V148 S149 D150F142-R146 PolarHBondContact O-N 3.27Å; D143-R146 PolarHBondContact O-N 2.91Å; R146-V148 PolarHBondContact O-N 3.38Å; R146-S149 WeakPolarHBondContact O-CB 3.47Å; R146-S149 PolarHBondContact O-N 3.07Å; R146-S149 VanDerWaalsContact O-N 3.09Å; R146-D150 VanDerWaalsContact O-CG 3.3Å; R146-D150 PolarHBondContact O-N 2.92Å
147N48.8Very low44.5Very low94 Ų9493.8 Ų93.850%0.50348%0.477SS..Hα-helixtrans-59.5-31.4174.7-81.9-80.7000113.5D143 L145 K151D143-N147 PolarHBondContact O-N 3.24Å; D143-N147 PolarHBondContact O-ND2 3.49Å; L145-N147 PolarHBondContact O-N 3.32Å; N147-K151 WeakPolarHBondContact O-CB 3.06Å; N147-K151 PolarHBondContact O-N 3.3Å
148V48.3Very low44Very low35 Ų3595 Ų9521%0.21247%0.474CS..Hα-helixtrans-73.5-42.1174173.30000110.9F123 A144 L145 R146 K151 H152F123-V148 HydrophobicContact CB-CG2 4.26Å; F123-V148 HydrophobicContact CD2-CG2 3.68Å; F123-V148 HydrophobicContact CE2-CG2 4.17Å; F123-V148 HydrophobicContact CG-CG2 3.89Å; A144-V148 WeakPolarHBondContact O-CG2 3.37Å; A144-V148 PolarHBondContact O-N 3.18Å; L145-V148 WeakPolarHBondContact O-CB 3.45Å; L145-V148 PolarHBondContact O-N 2.97Å; L145-V148 VanDerWaalsContact O-N 3.1Å; R146-V148 PolarHBondContact O-N 3.38Å; V148-K151 PolarHBondContact O-N 3.43Å; V148-H152 PolarHBondContact O-N 3.16Å
149S52.8Low43.6Very low74 Ų7490.8 Ų90.852%0.51746%0.457SS..Hα-helixtrans-62.7-47.9176.6-175.60000112.4L145 R146 K151 H152 S153L145-S149 PolarHBondContact O-N 3.4Å; R146-S149 WeakPolarHBondContact O-CB 3.47Å; R146-S149 PolarHBondContact O-N 3.07Å; R146-S149 VanDerWaalsContact O-N 3.09Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 2.95Å; S149-H152 WeakPolarHBondContact O-CB 3.38Å; S149-H152 PolarHBondContact O-N 2.87Å; S149-S153 PolarHBondContact O-N 3.3Å
150D44.6Very low42.9Very low89 Ų8991.6 Ų91.648%0.47647%0.474SS..Hα-helixtrans-61.7-38.9179.9-65.8-25.3000111.1R146 S153 H154R146-D150 VanDerWaalsContact O-CG 3.3Å; R146-D150 PolarHBondContact O-N 2.92Å; D150-S153 PolarHBondContact O-N 3.47Å; D150-H154 WeakPolarHBondContact O-CB 3.46Å; D150-H154 PolarHBondContact O-N 3.35Å
151K43.5Very low42.2Very low88 Ų8895.7 Ų95.738%0.38349%0.491SS..Hα-helixtrans-69.2-34.8172.7-83.1-168162.8-166.30113.7F123 N125 N147 V148 S149 H154 F155F123-K151 WeakPolarHBondContact O-CE 3.48Å; F123-K151 PolarHBondContact O-NZ 3.14Å; N125-K151 PolarHBondContact OD1-NZ 2.85Å; N147-K151 WeakPolarHBondContact O-CB 3.06Å; N147-K151 PolarHBondContact O-N 3.3Å; V148-K151 PolarHBondContact O-N 3.43Å; S149-K151 VanDerWaalsContact C-N 3.28Å; S149-K151 PolarHBondContact O-N 2.95Å; K151-H154 PolarHBondContact O-N 3.09Å; K151-F155 WeakPolarHBondContact O-CB 3.49Å; K151-F155 PolarHBondContact O-N 3.49Å
152H45.7Very low41.6Very low123 Ų12399.2 Ų99.257%0.56950%0.502SS*.Hα-helixtrans-63.2-44.9171.9-117.290.9000110.9V148 S149 H154 F155 V156V148-H152 PolarHBondContact O-N 3.16Å; S149-H152 WeakPolarHBondContact O-CB 3.38Å; S149-H152 PolarHBondContact O-N 2.87Å; H152-H154 VanDerWaalsContact C-N 3.33Å; H152-H154 PolarHBondContact O-N 3.21Å; H152-F155 PolarHBondContact O-N 3.2Å; H152-V156 WeakPolarHBondContact O-CG2 3.01Å; H152-V156 PolarHBondContact O-N 3.19Å
153S45.5Very low41Very low66 Ų6696.6 Ų96.646%0.46251%0.512SS..Hα-helixtrans-59.1-43.6174.5-173.10000111.9S149 D150 V156 K157S149-S153 PolarHBondContact O-N 3.3Å; D150-S153 PolarHBondContact O-N 3.47Å; S153-V156 PolarHBondContact O-N 2.77Å; S153-K157 WeakPolarHBondContact O-CG 3.35Å; S153-K157 PolarHBondContact O-N 3Å
154H37.9Very low40Very low134 Ų13497.7 Ų97.762%0.6253%0.526SS*.Hα-helixtrans-71.4-29.4178.7-142.6-54.6000113.6D150 K151 H152 Y158D150-H154 WeakPolarHBondContact O-CB 3.46Å; D150-H154 PolarHBondContact O-N 3.35Å; K151-H154 PolarHBondContact O-N 3.09Å; H152-H154 VanDerWaalsContact C-N 3.33Å; H152-H154 PolarHBondContact O-N 3.21Å; H154-Y158 PolarHBondContact O-N 3.49Å; H154-Y158 VanDerWaalsContact O-N 3.13Å
155F35.5Very low39.2Very low90 Ų90103.4 Ų103.440%0.39556%0.559SS.*Hα-helixtrans-74.3-40174.8-177.7-112.5000111.7K151 H152 K157 Y158 L159 L282K151-F155 WeakPolarHBondContact O-CB 3.49Å; K151-F155 PolarHBondContact O-N 3.49Å; H152-F155 PolarHBondContact O-N 3.2Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.45Å; F155-Y158 WeakPolarHBondContact O-CB 3.49Å; F155-Y158 PolarHBondContact O-N 2.71Å; F155-L159 HydrophobicContact CD1-CD1 3.96Å; F155-L159 HydrophobicContact CD1-CG 4.49Å; F155-L159 HydrophobicContact CE1-CD1 3.47Å; F155-L159 VanDerWaalsContact CE1-CD1 3.47Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.22Å; F155-L159 HydrophobicContact CZ-CG 4.04Å; F155-L159 PolarHBondContact O-N 3.46Å; F155-L282 HydrophobicContact CE1-CD2 4.14Å; F155-L282 HydrophobicContact CZ-CD2 3.93Å
156V43.4Very low38.6Very low88 Ų88105.6 Ų105.653%0.53357%0.571SS.*Hα-helixtrans-61.7-41.1171.1171.10000110.9H152 S153 Y158 L159 A160H152-V156 WeakPolarHBondContact O-CG2 3.01Å; H152-V156 PolarHBondContact O-N 3.19Å; S153-V156 PolarHBondContact O-N 2.77Å; V156-Y158 VanDerWaalsContact C-N 3.26Å; V156-Y158 PolarHBondContact O-N 2.83Å; V156-L159 PolarHBondContact O-N 3.19Å; V156-A160 WeakPolarHBondContact O-CB 3.47Å; V156-A160 PolarHBondContact O-N 3.34Å
157K34.7Very low37.6Very low134 Ų134105.7 Ų105.758%0.58358%0.579SS**Hα-helixtrans-61.4-31.5171-75.4-178.7179-177.90113.6S153 F155 L161S153-K157 WeakPolarHBondContact O-CG 3.35Å; S153-K157 PolarHBondContact O-N 3Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.45Å; K157-L161 WeakPolarHBondContact O-CD1 3.38Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å
158Y32.9Very low36.6Very low137 Ų137108.1 Ų108.154%0.53759%0.592SS.*Hα-helixtrans-77.7-43.6178.6-159.5-87.3000111.8H154 F155 V156 A160 L161 E162H154-Y158 PolarHBondContact O-N 3.49Å; H154-Y158 VanDerWaalsContact O-N 3.13Å; F155-Y158 WeakPolarHBondContact O-CB 3.49Å; F155-Y158 PolarHBondContact O-N 2.71Å; V156-Y158 VanDerWaalsContact C-N 3.26Å; V156-Y158 PolarHBondContact O-N 2.83Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 2.94Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 3.06Å; Y158-E162 HydrophobicContact CD1-CG 4.4Å; Y158-E162 HydrophobicContact CE1-CG 4.14Å; Y158-E162 PolarHBondContact O-N 2.8Å
159L32Very low35.4Very low94 Ų94114.4 Ų114.449%0.49262%0.623SS.*Hα-helixtrans-61.8-33.6173.4-72.7176.1000112.4F155 V156 L161F155-L159 HydrophobicContact CD1-CD1 3.96Å; F155-L159 HydrophobicContact CD1-CG 4.49Å; F155-L159 HydrophobicContact CE1-CD1 3.47Å; F155-L159 VanDerWaalsContact CE1-CD1 3.47Å; F155-L159 HydrophobicContact CE1-CG 4.12Å; F155-L159 HydrophobicContact CE2-CG 4.37Å; F155-L159 HydrophobicContact CZ-CD1 3.82Å; F155-L159 HydrophobicContact CZ-CD2 4.22Å; F155-L159 HydrophobicContact CZ-CG 4.04Å; F155-L159 PolarHBondContact O-N 3.46Å; V156-L159 PolarHBondContact O-N 3.19Å; L159-L161 PolarHBondContact O-N 2.81Å
160A35.8Very low34.3Very low82 Ų82116.7 Ų116.768%0.67863%0.634SS**THydrogen-bonded Turntrans-68.1-11.717300000114.1V156 Y158V156-A160 WeakPolarHBondContact O-CB 3.47Å; V156-A160 PolarHBondContact O-N 3.34Å; Y158-A160 VanDerWaalsContact C-N 3.25Å; Y158-A160 PolarHBondContact O-N 2.94Å
161L32.5Very low33.5Very low135 Ų135122.9 Ų122.971%0.70765%0.652SS**THydrogen-bonded Turntrans-101.7-22.3178.5-72167.4000113.6K157 Y158 L159 G163K157-L161 WeakPolarHBondContact O-CD1 3.38Å; K157-L161 WeakPolarHBondContact O-CG 3.48Å; Y158-L161 WeakPolarHBondContact O-CB 3.4Å; Y158-L161 PolarHBondContact O-N 3.06Å; L159-L161 PolarHBondContact O-N 2.81Å; L161-G163 PolarHBondContact O-N 2.89Å
162E29.6Very low32.8Very low131 Ų131125.4 Ų125.461%0.61267%0.669SS**THydrogen-bonded Turntrans-77.70178.5-75.7-167.4155.300114.1Y158 S164Y158-E162 HydrophobicContact CD1-CG 4.4Å; Y158-E162 HydrophobicContact CE1-CG 4.14Å; Y158-E162 PolarHBondContact O-N 2.8Å; E162-S164 PolarHBondContact O-N 3.43Å
163G30.9Very low31.9Very low76 Ų76123.7 Ų123.778%0.78467%0.669SS**THydrogen-bonded Turntrans-81.6-2.2-177.900000116.7L161L161-G163 PolarHBondContact O-N 2.89Å
164S29.1Very low31.1Very low100 Ų100124.9 Ų124.970%0.69968%0.677SS**  trans-153.8109.8178-165.60000112.3E162E162-S164 PolarHBondContact O-N 3.43Å
165V29Very low30.9Very low138 Ų138123.3 Ų123.384%0.83668%0.677SS**  trans-108.586.3166.9-178.70000107.4
166D29.3Very low30.7Very low143 Ų143122.7 Ų122.777%0.76568%0.681SS**  trans-149.1162.4155.5-111.4-36000111.7
167Q28.3Very low30Very low169 Ų169126.8 Ų126.879%0.7969%0.691SS**  trans-77.2142.4-148.2-59.8164.622.600114.3
168N26.9Very low29.6Very low145 Ų145127.4 Ų127.478%0.77570%0.698SS**  trans35.3105.1155.1-63.6-19.6000118
169L24.5Very low29.3Very low166 Ų166126.1 Ų126.187%0.86971%0.709SS**  179141.5110-95.1158.7000113.3Y171L169-Y171 PolarHBondContact O-N 3.27Å
170T28Very low28.9Very low122 Ų122128.4 Ų128.475%0.74872%0.721SS**  trans-58.6112.4159.536.40000111.2
171Y29.3Very low28.2Very low219 Ų219131.8 Ų131.886%0.85972%0.723SS**  trans169.5100.5135.5-105.2-80.1000108.6L169 P173L169-Y171 PolarHBondContact O-N 3.27Å; Y171-P173 WeakPolarHBondContact O-CD 3.3Å
172L28.7Very low27.8Very low142 Ų142136.4 Ų136.474%0.74373%0.731SS**  trans-73.2127.2166.4-100.586.6000109.2V176L172-V176 HydrophobicContact CD2-CB 4.18Å; L172-V176 HydrophobicContact CD2-CG1 3.91Å
173P25.2Very low27.5Very low86 Ų86136 Ų13656%0.55874%0.74SS**  trans-62148.5173.7-22.534.3000112.2Y171 T175 V176Y171-P173 WeakPolarHBondContact O-CD 3.3Å; P173-T175 PolarHBondContact O-N 2.78Å; P173-T175 VanDerWaalsContact O-N 3.1Å; P173-V176 PolarHBondContact O-N 2.97Å
174S30.6Very low27Very low91 Ų91141.4 Ų141.464%0.63675%0.745SS**Hα-helixtrans-61.4-20.9-17446.10000114.8V176 K177 M178S174-V176 PolarHBondContact O-N 3.47Å; S174-K177 WeakPolarHBondContact O-CA 3.49Å; S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.01Å; S174-M178 PolarHBondContact O-N 2.97Å
175T32.9Very low26.7Very low102 Ų102145.2 Ų145.263%0.62675%0.751SS**Hα-helixtrans-57.2-42.9174.636.40000112.8P173 K177 M178 S179P173-T175 PolarHBondContact O-N 2.78Å; P173-T175 VanDerWaalsContact O-N 3.1Å; T175-K177 PolarHBondContact O-N 2.86Å; T175-M178 PolarHBondContact O-N 3.15Å; T175-S179 PolarHBondContact O-N 3.12Å; T175-S179 PolarHBondContact O-OG 2.97Å
176V31Very low26.5Very low76 Ų76148 Ų14846%0.46176%0.755SS.*Hα-helixtrans-69.7-21.7177.8-1750000111.7L172 P173 S174L172-V176 HydrophobicContact CD2-CB 4.18Å; L172-V176 HydrophobicContact CD2-CG1 3.91Å; P173-V176 PolarHBondContact O-N 2.97Å; S174-V176 PolarHBondContact O-N 3.47Å
177K29.5Very low26.1Very low174 Ų174149.5 Ų149.576%0.75776%0.755SS**Hα-helixtrans-82.2-26.6179.1-144.6175.9-173.4179.60112.8S174 T175S174-K177 WeakPolarHBondContact O-CA 3.49Å; S174-K177 WeakPolarHBondContact O-CB 3.45Å; S174-K177 PolarHBondContact O-N 3.01Å; T175-K177 PolarHBondContact O-N 2.86Å
178M24.7Very low25.7Very low148 Ų148145.8 Ų145.873%0.72975%0.748SS**Hα-helixtrans-79.8-37.5175.9-70.7-168.273.600112.8S174 T175 L180 Q181S174-M178 PolarHBondContact O-N 2.97Å; T175-M178 PolarHBondContact O-N 3.15Å; M178-L180 PolarHBondContact O-N 3.15Å; M178-Q181 PolarHBondContact O-N 2.65Å
179S27.2Very low25.6Very low110 Ų110145.7 Ų145.777%0.76975%0.747SS**THydrogen-bonded Turntrans-66.7-3.8179.3-52.50000115.1T175T175-S179 PolarHBondContact O-N 3.12Å; T175-S179 PolarHBondContact O-OG 2.97Å
180L23.8Very low25.4Very low142 Ų142144.9 Ų144.974%0.74374%0.742SS**THydrogen-bonded Turntrans-105.13.6173.9-71.3169.5000113.1M178M178-L180 PolarHBondContact O-N 3.15Å
181Q21.8Very low25.3Very low153 Ų153148.7 Ų148.772%0.71575%0.749SS**SBendtrans-107.6113.8175.3-162.972.837.500108.8M178M178-Q181 PolarHBondContact O-N 2.65Å
182W22.9Very low24.8Very low232 Ų232144.9 Ų144.988%0.87974%0.744SS**PPolyproline II helixtrans-62.4129.9-179.4-68.678.2000110.8
183P23.3Very low24.5Very low123 Ų123142.3 Ų142.380%0.79974%0.737SS**PPolyproline II helixtrans-63.1133.7170.9-20.332.8000110.7
184E21.4Very low24.3Very low188 Ų188144.7 Ų144.788%0.87975%0.745SS**PPolyproline II helixtrans-73.9158.7173.9-66.9-174.2142.900111.2E186E184-E186 PolarHBondContact O-N 2.7Å
185Q22.2Very low23.8Very low180 Ų180147.8 Ų147.884%0.84175%0.75SS**PPolyproline II helixtrans-67.1117.1-174.2-62168.5-62.500112.1
186E24.5Very low23.3Very low197 Ų197148.1 Ų148.192%0.92175%0.752SS**PPolyproline II helixtrans-80.7146.1149.9-75.2-174.5150.400109.8E184E184-E186 PolarHBondContact O-N 2.7Å
187K21.6Very low22.8Very low174 Ų174152.9 Ų152.976%0.75777%0.766SS**  trans-113.9154.4-165.7-62.3172.1178.7170.40110.9
188S20.3Very low22.3Very low92 Ų92154.9 Ų154.964%0.64377%0.771SS**  trans45.2120.8143.760.20000119.7
189D24.2Very low22.1Very low142 Ų142152.6 Ų152.676%0.75977%0.769SS**  159.6108.2125.4-74-15000106.4
190I19.9Very low21.7Very low150 Ų150153.2 Ų153.277%0.76977%0.769SS**  52.992.674.9-54-178.8000112.7
191F25.8Very low21.6Very low201 Ų201152.5 Ų152.588%0.88277%0.77SS**  trans174.3102.9151.2-100.2-71.1000103.7
192D20.1Very low21.5Very low140 Ų140150.6 Ų150.675%0.74977%0.772SS**  cis70.9124.248.1-147.68.5000114.7
193S21.9Very low21.4Very low88 Ų88144.4 Ų144.462%0.61576%0.764SS**  trans61.6128.2166.866.90000122.3
194N21Very low21.2Very low135 Ų135148 Ų14872%0.72277%0.768SS**  trans81.8114133.1-66.47.2000123.7
195E20Very low21.2Very low157 Ų157148.2 Ų148.273%0.73477%0.768SS**  69.8140.6118.6-62-165.5116.100123.6
196T21.7Very low21.1Very low109 Ų109144.6 Ų144.667%0.66976%0.762SS**  trans68.8107.4142.444.80000121.9
197K20.5Very low20.8Very low176 Ų176141.5 Ų141.577%0.76575%0.751SS**  58.3119.5111.4-79.6-176.3179.3176.60120.7
198Y20.4Very low20.8Very low215 Ų215140.5 Ų140.584%0.84376%0.755SS**  trans74.3154139.9-78.3-73.6000121.3
199S20.3Very low21.8Very low101 Ų101140.8 Ų140.871%0.70675%0.754SS**  trans75.8118.9172.8-147.40000115.5
200T19.2Very low21.5Very low123 Ų123142.9 Ų142.976%0.75576%0.759SS**  cis81.3137.735-45.20000113.7
201V20.5Very low21.6Very low126 Ų126144.8 Ų144.876%0.76477%0.765SS**  trans79.9113.5-179.7-165.30000113
202C19.7Very low21.3Very low114 Ų114139.6 Ų139.677%0.7775%0.754SS**  cis101.2151.536.3-164.90000112.8
203S20.6Very low21.3Very low102 Ų102137.5 Ų137.571%0.71375%0.75SS**  trans82.7121.1-173.1-51.50000114.2
204K20Very low21.4Very low199 Ų199144.6 Ų144.687%0.86577%0.765SS**  82.1102.651.8-77.6-171.3176.1-176.30113.5
205E21Very low21.5Very low191 Ų191147.6 Ų147.689%0.89377%0.772SS**  trans-163.6124.3146.6-103156.5-170.400104.8
206C20Very low21.6Very low104 Ų104147.4 Ų147.470%0.70378%0.776SS**  67.99753.8-79.90000114.6
207D18.8Very low21.6Very low132 Ų132150.2 Ų150.271%0.70679%0.787SS**  75.3130.1129.7-56.7-50.3000122.4
208N21.2Very low21.7Very low154 Ų154149.2 Ų149.282%0.82479%0.788SS**  trans93.9155.2139.1-77.7-23.3000122.2
209P41.1Very low21.7Very low98 Ų98143.8 Ų143.864%0.63678%0.781SS**  trans-110-167.4-162.843.3-32.5000112.8
210E18.2Very low21.7Very low185 Ų185144.3 Ų144.386%0.86478%0.781SS**  trans71.2127.9175.4-58.7171-173.500112.1
211E22.3Very low21.8Very low190 Ų190145.8 Ų145.889%0.88878%0.784SS**  -159.517870.2-132-174.7163.200114
212S19.9Very low21.9Very low93 Ų93145.7 Ų145.765%0.6578%0.783SS**  trans-97.1163.8-173.3700000114.3
213S19.9Very low22Very low95 Ų95148.6 Ų148.666%0.66479%0.788SS**  trans71.2117.8159.679.30000118.2
214Y24.4Very low22.1Very low238 Ų238151 Ų15193%0.93379%0.791SS**  -137.9152.6117-105.1-79.8000109.3
215K22Very low22.3Very low197 Ų197151.9 Ų151.986%0.85779%0.789SS**  trans-80.8152-159.3-72.6172.7176.7170.90113.6
216N21.4Very low22.5Very low154 Ų154148 Ų14882%0.82478%0.78SS**  trans-61.3131.6162.4-58.5-51.8000110.1
217D23.4Very low22.6Very low168 Ų168149.4 Ų149.490%0.89879%0.788SS**  trans-108.3139.4156-94.3-39.7000110.4
218I20.7Very low22.7Very low155 Ų155153 Ų15380%0.79580%0.797SS**  trans-108.4113.1-176.2-63.9168.2000108.7
219S21.9Very low22.8Very low100 Ų100152.3 Ų152.370%0.69980%0.803SS**  trans-163.9109.6151.749.20000109.1
220T20.7Very low22Very low113 Ų113151 Ų15169%0.69381%0.806SS**  45114.68556.50000114.6
221N20.4Very low22.2Very low153 Ų153150.6 Ų150.682%0.81881%0.805SS**  trans56.8116.5159.8-55-31.1000117.7
222V22.5Very low22Very low124 Ų124152.5 Ų152.575%0.75280%0.804SS**  -162.2129.5109.9140.20000110I224V222-I224 HydrophobicContact CG1-CG1 3.67Å; V222-I224 PolarHBondContact O-N 3.31Å
223M21.1Very low22.1Very low176 Ų176153.3 Ų153.387%0.86781%0.81SS**  trans-77.495.3172.4179.6-174.2-72.400108.8R225M223-R225 PolarHBondContact O-N 2.89Å
224I22.6Very low22.3Very low151 Ų151153.6 Ų153.677%0.77481%0.811SS**  trans-79.7100.7172.8-55.7-174.8000109V222V222-I224 HydrophobicContact CG1-CG1 3.67Å; V222-I224 PolarHBondContact O-N 3.31Å
225R24.5Very low22Very low219 Ų219147.4 Ų147.483%0.82680%0.803SS**PPolyproline II helixtrans-81.5150.5153.1-95.8-172.3173.9-171.2-0.7109.5M223M223-R225 PolarHBondContact O-N 2.89Å
226P25.6Very low22.1Very low110 Ų110145 Ų14571%0.71480%0.804SS**PPolyproline II helixtrans-69.9164-163.327.1-35.6000114.8
227P23.1Very low22.1Very low132 Ų132143.6 Ų143.686%0.85780%0.802SS**PPolyproline II helixtrans-77.2160.3-161.730.4-36.9000115.4
228K19.7Very low22.3Very low209 Ų209140.7 Ų140.791%0.90979%0.792SS**PPolyproline II helixtrans-93.9147176.3-63.6174.6177176.60111.8
229C24.1Very low22.3Very low139 Ų139138.2 Ų138.294%0.93979%0.789SS**  trans-154.1131.4152.9-1620000107.4
230G24.4Very low22.3Very low69 Ų69139.9 Ų139.971%0.71179%0.789SS**  cis-162.8-166.7-0.700000113
231Q22.2Very low22.2Very low178 Ų178143.6 Ų143.683%0.83279%0.791SS**  trans0.7136.9174.1-59-170-5.300124
232R18.7Very low22.3Very low229 Ų229144 Ų14486%0.86479%0.786SS**  trans55.1115.9137.9-72.6-174.4167.9-149.1-2121.8
233S21.7Very low22.3Very low111 Ų111142.9 Ų142.978%0.77678%0.783SS**  137.7147.5109.364.40000115.8
234S22.6Very low22.3Very low100 Ų100142.6 Ų142.670%0.69978%0.78SS**  trans48.698.8174.847.50000117.8
235S19.8Very low22.4Very low109 Ų109141.5 Ų141.576%0.76278%0.78SS**  75.6111.774.471.80000115.3
236V24.2Very low22.3Very low145 Ų145136.1 Ų136.188%0.87978%0.776SS**  trans-178.7139.1134.8146.40000108.8
237T20.8Very low22.1Very low126 Ų126136 Ų13677%0.77378%0.778SS**  trans-99.9-171.6178.550.70000110.4
238P28.2Very low22.1Very low106 Ų106135.8 Ų135.869%0.68877%0.77SS**  cis-131.1177.4-25.422.31.7000114.3
239S20.1Very low22.2Very low104 Ų104135.1 Ų135.173%0.72776%0.762SS**  trans40.1164.4136.6-54.80000126.2
240D21.5Very low22.2Very low134 Ų134135 Ų13572%0.71775%0.752SS**  trans81.6144.9154.7-73.6-9.5000118.9
241R18.8Very low22.1Very low192 Ų192137.8 Ų137.873%0.72575%0.749SS**  cis-170.7155.6-18.5-121.5169.7-170.9-144.2-0.3111
242F22.3Very low22Very low161 Ų161137.8 Ų137.871%0.70675%0.749SS**  trans67.9143.5148.3-83.6-65.7000125.6
243S22.6Very low22.1Very low101 Ų101132.1 Ų132.171%0.70675%0.745SS**  trans67.5150.4142.454.80000120.4
244E20.1Very low22.1Very low170 Ų170131.7 Ų131.779%0.79474%0.742SS**  cis166.1175.8-26.2-111.5-178.4169.500106.3
245T25.1Very low22.1Very low127 Ų127131.5 Ų131.578%0.77974%0.74SS**  trans75.8113-179.671.60000114.9
246S22Very low22Very low106 Ų106132.7 Ų132.774%0.74174%0.743SS**  6613263.1790000112.9
247S23.1Very low21.9Very low109 Ų109132 Ų13276%0.76274%0.743SS**  cis-166.3176.42.856.50000108.5
248D22.9Very low21.8Very low127 Ų127134.3 Ų134.368%0.67975%0.745SS**  cis-152.1-1736.4-152.710.5000112.8
249R21.8Very low21.5Very low194 Ų194138.2 Ų138.273%0.73275%0.751SS**  trans-41.4140.4175.5-59.9145.9-159.3-138.7-4.5119
250N22.8Very low21.5Very low138 Ų138139.3 Ų139.374%0.73875%0.753SS**  -161.9111.993.2-96.3-29.8000113.7
251I22.8Very low21.6Very low127 Ų127142.9 Ų142.965%0.65176%0.758SS**  57.794.9128.6-59.9173.5000115.3
252E20.1Very low21.7Very low177 Ų177139.4 Ų139.483%0.82776%0.76SS**  68.2133.991.9-71.7176.5162.900113
253S22Very low21.5Very low111 Ų111136.6 Ų136.678%0.77676%0.761SS**  cis-165.9172.110.751.30000107.2
254S21Very low21.7Very low102 Ų102138.2 Ų138.271%0.71377%0.767SS**  cis-158.5158.34.639.90000110.1
255S21.4Very low22Very low95 Ų95136 Ų13666%0.66477%0.767SS**  trans45.4104.5158.958.90000119.3
256T19.6Very low21.8Very low134 Ų134136.7 Ų136.782%0.82277%0.771SS**  48.410677.670.70000115.9
257C21.3Very low21.9Very low130 Ų130136.2 Ų136.288%0.87877%0.773SS**  trans-160.8101.6130.2-131.20000111.2
258E18.9Very low22Very low175 Ų175136.3 Ų136.382%0.81877%0.774SS**  trans-68.2132.4162.5175.3-179.2-150.600109.3
259K21.3Very low22Very low189 Ų189140 Ų14082%0.82278%0.784SS**  trans-154.9112.1158.1-117.9169-170.6179.70112.3
260V19.9Very low22.2Very low126 Ų126136.6 Ų136.676%0.76479%0.79SS**  trans-67.6137.2175.8176.20000110.2
261Y23.2Very low22.2Very low209 Ų209135.6 Ų135.682%0.8279%0.789SS**  trans-109152.8165.3-91.3-92.8000110
262P21.3Very low22.4Very low119 Ų119136.3 Ų136.377%0.77380%0.799SS**  trans-87.9179.5-165.836.8-37.5000114.9
263S18.6Very low22.6Very low102 Ų102134.2 Ų134.271%0.71379%0.793SS**  trans-89.2164.2-163.2-45.40000116.6
264T27.5Very low22.7Very low136 Ų136136 Ų13683%0.83479%0.792SS**  trans69.8156.4152.7410000118.7
265P25.1Very low22.9Very low123 Ų123143 Ų14380%0.79980%0.803SS**  cis-123.517813.142-28.3000116.9
266V20.6Very low23.1Very low141 Ų141149.6 Ų149.686%0.85581%0.814SS**  trans-96.3143.8174.6170.60000110
267A25.4Very low23.4Very low96 Ų96149 Ų14979%0.79381%0.812SS**  trans-144.7127.7162.300000112.8
268S24Very low23.7Very low111 Ų111154.6 Ų154.678%0.77682%0.815SS**  trans-36.3127.6175.9-19.80000115.6
269K24Very low24Very low205 Ų205152.3 Ų152.389%0.89181%0.813SS**  57.7104.989.6-72.1-172175.4-177.60116.1
270S25.2Very low24.4Very low123 Ų123149.2 Ų149.286%0.8681%0.812SS**  -161.9127.5121.150.90000111.3
271T22.9Very low25.1Very low116 Ų116148.2 Ų148.271%0.71281%0.806SS**  trans-133.3122.3-173.7-51.80000109.6L273T271-L273 HydrophobicContact CG2-CG 4.49Å
272V27Very low25.7Very low142 Ų142144.1 Ų144.186%0.86180%0.798SS**  trans-151.499.6156.8-176.20000106.6
273L24.8Very low26.2Very low134 Ų134140.9 Ų140.970%0.70279%0.786SS**  83.8135.669.3-77.3177.4000116.1T271T271-L273 HydrophobicContact CG2-CG 4.49Å
274L24.4Very low26.5Very low147 Ų147143.2 Ų143.277%0.7778%0.779SS**  trans75.6101155-65.9159.4000120.5
275R24.6Very low26.7Very low251 Ų251139.4 Ų139.495%0.94776%0.761SS**  trans-121.6124134.8-95.7-174.1174.8158.21.7110.7
276R25.4Very low27.1Very low232 Ų232136.9 Ų136.988%0.87575%0.751SS**  trans-75.6153.3171.9-79.7179170.9166-3.3111.1
277P25.3Very low27.6Very low121 Ų121135.7 Ų135.779%0.78674%0.739SS**  trans-89.3135.5-175.433.7-34000114.1
278R28.9Very low28Very low249 Ų249138.1 Ų138.194%0.9473%0.732SS**  trans-132.7127.9143.6-87-172.9173.4143.1-1.7108.8
279T24.5Very low28.6Very low126 Ų126137.6 Ų137.677%0.77372%0.724SS**  trans-74.1154.3174.751.50000111
280P30.4Very low28.9Very low125 Ų125136.4 Ų136.481%0.81271%0.714SS**  -129.7137.689.833.2-22.8000114.3L282P280-L282 PolarHBondContact O-N 3.01Å
281T34.4Very low29Very low105 Ų105133.5 Ų133.564%0.64470%0.697SS**  trans-31112.717747.90000117.4G283 R284T281-G283 PolarHBondContact O-N 3.45Å; T281-R284 PolarHBondContact O-N 3.05Å
282L35Very low29.3Very low122 Ų122132.4 Ų132.464%0.63969%0.694SS**THydrogen-bonded Turntrans-50.4-23.5174.7-168.266.2000115.1F155 P280 R284 A285F155-L282 HydrophobicContact CE1-CD2 4.14Å; F155-L282 HydrophobicContact CZ-CD2 3.93Å; P280-L282 PolarHBondContact O-N 3.01Å; L282-R284 PolarHBondContact O-N 3.29Å; L282-A285 PolarHBondContact O-N 3.25Å; L282-A285 VanDerWaalsContact O-N 3.17Å
283G31.5Very low29.3Very low51 Ų51135.4 Ų135.453%0.52669%0.692SS.*Hα-helixtrans-62.6-21.1179.600000115.6T281T281-G283 PolarHBondContact O-N 3.45Å
284R26.4Very low29.4Very low152 Ų152136.5 Ų136.557%0.57470%0.695SS**Hα-helixtrans-75.7-34.9173.5-93.3-177.5170.5-176.6-7.3112.7T281 L282 L287 F288T281-R284 PolarHBondContact O-N 3.05Å; L282-R284 PolarHBondContact O-N 3.29Å; R284-L287 PolarHBondContact O-N 3.34Å; R284-F288 PolarHBondContact O-N 2.99Å
285A30.9Very low29.4Very low55 Ų55132.4 Ų132.446%0.45569%0.688SS.*Hα-helixtrans-63.5-46178.900000111.4L282 L287 F288 V289L282-A285 PolarHBondContact O-N 3.25Å; L282-A285 VanDerWaalsContact O-N 3.17Å; A285-L287 VanDerWaalsContact C-N 3.26Å; A285-L287 PolarHBondContact O-N 3.42Å; A285-F288 PolarHBondContact O-N 2.8Å; A285-F288 VanDerWaalsContact O-N 3.09Å; A285-V289 PolarHBondContact O-N 3.14Å
286A32.8Very low29.7Very low70 Ų70126.9 Ų126.958%0.57968%0.682SS**Hα-helixtrans-61.7-31.8175.500000113.3R290A286-R290 WeakPolarHBondContact O-CB 3.44Å; A286-R290 PolarHBondContact O-N 3.34Å
287L32Very low29.8Very low117 Ų117123.3 Ų123.361%0.61368%0.681SS**Hα-helixtrans-74.4-34.4173.2-85.1169.3000112.8R284 A285 R290 A291R284-L287 PolarHBondContact O-N 3.34Å; A285-L287 VanDerWaalsContact C-N 3.26Å; A285-L287 PolarHBondContact O-N 3.42Å; L287-R290 PolarHBondContact O-N 3.46Å; L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.13Å
288F32.8Very low29.8Very low147 Ų147127.9 Ų127.965%0.64569%0.688SS**Hα-helixtrans-68-46173.9-95-76.9000112.1R284 A285 R290 A291 S292R284-F288 PolarHBondContact O-N 2.99Å; A285-F288 PolarHBondContact O-N 2.8Å; A285-F288 VanDerWaalsContact O-N 3.09Å; F288-R290 PolarHBondContact O-N 3.22Å; F288-A291 PolarHBondContact O-N 2.89Å; F288-A291 VanDerWaalsContact O-N 3.14Å; F288-S292 PolarHBondContact O-N 2.8Å; F288-S292 PolarHBondContact O-OG 2.96Å; F288-S292 VanDerWaalsContact O-OG 3.08Å
289V38.2Very low29.7Very low99 Ų99121.4 Ų121.460%0.668%0.681SS**Hα-helixtrans-56.9-41.2173.9175.50000110.8A285A285-V289 PolarHBondContact O-N 3.14Å
290R29Very low29.7Very low181 Ų181119 Ų11968%0.68368%0.681SS**Hα-helixtrans-72.7-33.9176.9-166.9170.9-177.7121.11.2113.8A286 L287 F288 Y293A286-R290 WeakPolarHBondContact O-CB 3.44Å; A286-R290 PolarHBondContact O-N 3.34Å; L287-R290 PolarHBondContact O-N 3.46Å; F288-R290 PolarHBondContact O-N 3.22Å; R290-Y293 PolarHBondContact O-N 2.78Å
291A27.5Very low29.4Very low61 Ų61119.6 Ų119.650%0.50468%0.683SS.*Hα-helixtrans-70.8-38.8177.900000111.9L287 F288 Y293 M294L287-A291 WeakPolarHBondContact O-CB 3.47Å; L287-A291 PolarHBondContact O-N 3.13Å; F288-A291 PolarHBondContact O-N 2.89Å; F288-A291 VanDerWaalsContact O-N 3.14Å; A291-Y293 PolarHBondContact O-N 2.91Å; A291-Y293 VanDerWaalsContact O-N 3.13Å; A291-M294 PolarHBondContact O-N 3.14Å
292S29Very low28.8Very low93 Ų93120.7 Ų120.765%0.6570%0.695SS**Hα-helixtrans-59.5-20.7173.5-60.40000113.5F288F288-S292 PolarHBondContact O-N 2.8Å; F288-S292 PolarHBondContact O-OG 2.96Å; F288-S292 VanDerWaalsContact O-OG 3.08Å
293Y26.7Very low28.3Very low206 Ų206121.4 Ų121.481%0.80870%0.704SS**THydrogen-bonded Turntrans-96.6-2.1176.8-95.4-82.4000115.2R290 A291R290-Y293 PolarHBondContact O-N 2.78Å; A291-Y293 PolarHBondContact O-N 2.91Å; A291-Y293 VanDerWaalsContact O-N 3.13Å
294M27.8Very low27.7Very low156 Ų156123.4 Ų123.477%0.76871%0.71SS**SBendtrans-114.425.4-178.3-65.2-144.473.600113.7A291A291-M294 PolarHBondContact O-N 3.14Å
295G24.5Very low27.4Very low62 Ų62123.6 Ų123.664%0.63972%0.722SS**  trans-148.651.5-174.900000115.2
296V29.8Very low26.9Very low135 Ų135126.6 Ų126.682%0.81874%0.739SS**  trans-138.1113.8159.2-175.30000108.9
297D28.4Very low26.3Very low157 Ų157132.2 Ų132.284%0.8475%0.751SS**  trans-71.9146.9174.9-73.2-54.6000111.7S299D297-S299 PolarHBondContact O-N 2.89Å; D297-S299 VanDerWaalsContact O-N 3.13Å
298K26.1Very low25.9Very low216 Ų216132.8 Ų132.894%0.93977%0.765SS**  trans-76.197.1176.8-65.6176.9179.8178.80110.6
299S26.7Very low25.3Very low114 Ų114134.5 Ų134.580%0.79777%0.772SS**  trans-107.7103.5154.560.50000108.8D297D297-S299 PolarHBondContact O-N 2.89Å; D297-S299 VanDerWaalsContact O-N 3.13Å
300G24.6Very low24.5Very low75 Ų75138.2 Ų138.277%0.77378%0.783SS**  trans-85.6148177.600000112.3
301T24.2Very low24.3Very low137 Ų137136.5 Ų136.584%0.8479%0.787SS**  trans-137.2114.4151.420.40000108.2T303T301-T303 PolarHBondContact O-N 2.99Å
302S21.6Very low24.2Very low129 Ų129140.4 Ų140.490%0.90281%0.805SS**  trans-73.6116.3169.8-62.60000109.4
303T24.7Very low23.9Very low136 Ų136145.1 Ų145.183%0.83481%0.814SS**  trans-135.7100.4154.4-7.70000108.8T301T301-T303 PolarHBondContact O-N 2.99Å
304S19Very low23.7Very low94 Ų94145.9 Ų145.966%0.65782%0.815SS**  trans-72.5163.217252.50000111.2
305L19.7Very low23.5Very low156 Ų156144.3 Ų144.382%0.81781%0.81SS**  trans71.5122.1164.3-53.5153.3000114.5
306S20Very low23.4Very low117 Ų117147.1 Ų147.182%0.81882%0.815SS**  -171165.361.240.40000112.7
307F19.8Very low23.1Very low189 Ų189146.5 Ų146.583%0.82981%0.811SS**  trans-74.5151.8-174.7-78.2-110.6000114
308S23Very low22.8Very low128 Ų128146.4 Ų146.490%0.89581%0.81SS**  trans-131.779.3152.455.20000111.6
309K20.8Very low22.6Very low183 Ų183140.9 Ų140.980%0.79680%0.799SS**  trans-114148.7154.9-99.8-172.8175.8-178.40108.2
310Q21.1Very low22.3Very low177 Ų177142.5 Ų142.583%0.82780%0.798SS**  trans104.8118.5173.8-62.6179.7-8.400115.8
311N24.5Very low22.2Very low145 Ų145146.3 Ų146.378%0.77580%0.801SS**  -173.496.4107.9-95.8-35.7000111.9
312T27.2Very low22.1Very low144 Ų144144 Ų14488%0.88379%0.79SS**  trans-125.3105.1156.846.30000107.4
313K21.9Very low22.3Very low192 Ų192145.3 Ų145.384%0.83578%0.782SS**  trans-71129.7176.1-68176.9175179.90109.6
314R22Very low22.1Very low221 Ų221147 Ų14783%0.83478%0.778SS**  -172.2130.3121.7-99.3-177.4-176.4109.5-1.9111.3
315D23.7Very low22.3Very low123 Ų123147.2 Ų147.266%0.65878%0.779SS**  trans69.2100.1133.4-49.7-18000120.7
316T23.4Very low22.4Very low122 Ų122146.9 Ų146.975%0.74878%0.778SS**  76.3119.5123.152.20000122.4
317V21.9Very low22.6Very low122 Ų122151.1 Ų151.174%0.73978%0.782SS**  91.9105.4120.2169.40000119
318L23.4Very low22.9Very low155 Ų155148.2 Ų148.281%0.81278%0.782SS**  trans103.5141.9135.9-81.4170.6000123
319S22.4Very low22.8Very low100 Ų100148.8 Ų148.870%0.69978%0.776SS**  trans64.990.1155.836.90000119.6
320N19.5Very low22.9Very low148 Ų148147.8 Ų147.879%0.79178%0.778SS**  6.5132.7116.8-61.7-2.5000118.2
321D22.8Very low22.9Very low155 Ų155144.9 Ų144.983%0.82978%0.777SS**  146.3147129.4-79.1-15.3000109.6
322S22.5Very low22.8Very low87 Ų87143.1 Ų143.161%0.60878%0.777SS**  cis-166.1170.6-24.555.10000107.3
323H24Very low22.6Very low157 Ų157140.4 Ų140.473%0.72777%0.768SS**  trans73131.6154.9-80.9-64.5000123.3
324F22.3Very low22.5Very low171 Ų171139.3 Ų139.375%0.7577%0.766SS**  trans70.796.3152.4-79.2-78.4000121.5
325S21.7Very low22.6Very low99 Ų99134.9 Ų134.969%0.69277%0.766SS**  trans-48.2136.9139.150.70000113.8
326D23.5Very low22.5Very low149 Ų149131.3 Ų131.380%0.79776%0.758SS**  trans-160.8102.6144.2-101.4-28.3000110.2
327F22.4Very low22.6Very low206 Ų206135.7 Ų135.790%0.90477%0.767SS**  trans-145.3123.2161.7-106.1-82.3000109.1
328P26.4Very low22.5Very low128 Ų128136.4 Ų136.483%0.83177%0.765SS**  trans-77.2130.7-167.829.8-34.9000111.6
329N22Very low22.5Very low141 Ų141134.6 Ų134.675%0.75477%0.766SS**  trans-110.6136.4177.3-130.6-20.6000110.1
330L22.3Very low22.4Very low162 Ų162140.7 Ų140.785%0.84877%0.774SS**  trans66.4100.7156.8-57.8162.4000118.6
331S21.1Very low22.6Very low116 Ų116139.2 Ų139.281%0.81178%0.775SS**  trans-152.2150.7154.9-174.90000111.4
332S23.2Very low22.7Very low108 Ų108137.1 Ų137.176%0.75577%0.772SS**  trans60.4108.2-170.668.10000114.5
333A22.5Very low22.8Very low86 Ų86138 Ų13871%0.71178%0.778SS**  cis65.8135.417.300000115.5
334Q19.3Very low22.7Very low169 Ų169138.8 Ų138.879%0.7979%0.787SS**  trans75.2124.2-163.9-50.4-57.1-24.200113.1
335P24.2Very low22.7Very low129 Ų129138.5 Ų138.584%0.83879%0.793SS**  -123.8128.261.536.3-26.7000114.9
336G21.4Very low22.8Very low47 Ų47138.4 Ų138.449%0.48579%0.793SS.*  trans-80.3130.7156.600000111.3
337F25.8Very low23Very low214 Ų214140.5 Ų140.594%0.93980%0.798SS**  trans-138.3120.5143-102.8-76.1000109.3
338I20.2Very low22.9Very low137 Ų137138.6 Ų138.670%0.70380%0.796SS**  trans-93.7131.3-173.1-67.6164.6000109.6R340I338-R340 HydrophobicContact CG2-CG 3.93Å
339S23.8Very low22.7Very low118 Ų118143.6 Ų143.683%0.82580%0.799SS**  trans-172.987.2148.1-80.20000108.1
340R20.4Very low22.7Very low228 Ų228145.4 Ų145.486%0.8680%0.802SS**  5994.982.7-76-172.9166.9-177.1-3.1114.9I338I338-R340 HydrophobicContact CG2-CG 3.93Å
341S23.5Very low22.9Very low116 Ų116146.4 Ų146.481%0.81180%0.8SS**  trans142.4135.7137.858.40000110.5
342S24Very low22.8Very low111 Ų111148.1 Ų148.178%0.77680%0.8SS**  cis-171.3156-23.436.50000108
343S24.6Very low22.8Very low106 Ų106150.3 Ų150.374%0.74180%0.799SS**  trans68.866.7166.2-165.20000118.3
344L23.4Very low23.1Very low173 Ų173153.4 Ų153.491%0.90680%0.803SS**  trans-127.381.9144.5-82.3175.7000108.1
345N21.9Very low23.2Very low165 Ų165150.5 Ų150.588%0.88280%0.797SS**  trans-165.165.4168.1-100.9-24.5000110.5
346S24.1Very low23.3Very low97 Ų97152.5 Ų152.568%0.67880%0.795SS**SBendtrans-145151158.9510000106.5
347E25.9Very low23.3Very low193 Ų193158.7 Ų158.790%0.90281%0.812SS**  trans72.838.8-177.9-55174.3-172.800115.8
348L20.9Very low23.1Very low167 Ų167153.1 Ų153.187%0.87480%0.799SS**  trans-111.143150-122174.9000110.9
349R22.2Very low23.2Very low233 Ų233155 Ų15588%0.87980%0.802SS**  trans-147.291.4172.2-80.5-168.8178.1-173.80.2109.9
350E23.3Very low23.1Very low178 Ų178157.3 Ų157.383%0.83280%0.8SS**SBendtrans-173.4159.8133.3-108.2176.8-174.700110.6
351F24.7Very low23.1Very low183 Ų183156.8 Ų156.880%0.80380%0.798SS**  trans61.262.2178.6-69.5-77.3000118.2
352N19.1Very low23Very low152 Ų152155 Ų15581%0.81379%0.786SS**  trans-109.4106.5130.7-176.86000108.2
353Q24.7Very low22.7Very low155 Ų155154.9 Ų154.972%0.72478%0.784SS**  trans168.3123155.1-98166.735.100112.5
354N27.1Very low22.6Very low150 Ų150155.8 Ų155.880%0.80279%0.785SS**  trans168.781.2137.9-89.3-16.8000107.9
355T22.6Very low22.5Very low109 Ų109156 Ų15667%0.66978%0.779SS**  40.8106.18161.80000116.2
356Q24.9Very low22.3Very low171 Ų171154.8 Ų154.880%0.79977%0.772SS**  -172.5119.6103.5-93.2170.719.300108.5
357Q22.3Very low22.2Very low177 Ų177157.6 Ų157.683%0.82778%0.78SS**  56.5119104.4-63.7-178-4.500113.2
358S22.2Very low21.8Very low96 Ų96153.7 Ų153.767%0.67177%0.774SS**  -178.4165.86055.70000114.5
359F21.8Very low22Very low177 Ų177150.7 Ų150.778%0.77677%0.767SS**  trans64.1102.8163.5-63.3-70.5000122.7
360H22.2Very low21.9Very low166 Ų166148.4 Ų148.477%0.76977%0.766SS**  37133.5110.9-72.8-81.9000118.4
361R19.6Very low21.9Very low217 Ų217145.9 Ų145.982%0.81976%0.763SS**  cis-177.4159.736.9-153.4-170.4179.3-162.31111
362S21.1Very low21.6Very low80 Ų80144.3 Ų144.356%0.55976%0.763SS**  trans48.4103.2145.655.60000120.9
363S18.5Very low21.8Very low107 Ų107145.4 Ų145.475%0.74877%0.768SS**  21.1130.7110.263.70000119.5
364V21.9Very low21.7Very low125 Ų125146.2 Ų146.276%0.75877%0.772SS**  172.5135.3108.1154.30000111.1
365K20.7Very low21.9Very low179 Ų179143.9 Ų143.978%0.77877%0.765SS**  trans4.6141.8154.8-53.4174.3-179.91770120.9
366N18.9Very low21.8Very low138 Ų138148.7 Ų148.774%0.73878%0.777SS**  trans43120.5135.5-536.1000119.6
367N20.6Very low21.6Very low156 Ų156147 Ų14783%0.83477%0.773SS**  -174.5163.5100.8-96.3-14.6000113.5
368S18.8Very low21.7Very low112 Ų112146.1 Ų146.178%0.78377%0.774SS**  trans-94.1127.8175.350.10000112.6
369S23.8Very low21.6Very low104 Ų104148.8 Ų148.873%0.72778%0.78SS**  trans-173.8109.8161.451.30000107.5
370Q21.6Very low21.7Very low184 Ų184143.9 Ų143.986%0.8678%0.78SS**  77.1145.592.7-94.9-176.3-19.700116.1
371T21.8Very low21.8Very low125 Ų125142.1 Ų142.177%0.76779%0.785SS**  trans75.4109.2171.367.90000121.3
372N20.4Very low21.9Very low150 Ų150140.1 Ų140.180%0.80279%0.785SS**  trans30.2121.3132-60.9-18.5000120.7
373L21.7Very low22.1Very low175 Ų175146.9 Ų146.992%0.91680%0.799SS**  -174.9152.999.6-94.8166.1000112.1
374Q22.4Very low22.1Very low172 Ų172148.1 Ų148.180%0.80479%0.794SS**  trans-111.9166.6-179.3-103.4-95.3-2.500109.4
375P32.5Very low22.2Very low102 Ų102148.1 Ų148.166%0.66279%0.794SS**  -108.8161.9-9240.8-29.6000113.1
376F21.1Very low22.2Very low209 Ų209149.4 Ų149.492%0.91779%0.794SS**  trans-100.8128.7168.9-106.3-87000112.8
377N19Very low22.4Very low136 Ų136150.2 Ų150.273%0.72780%0.797SS**  trans-93.4139.4178.3-164.3-4.4000109.4
378L25.5Very low22.6Very low159 Ų159148.4 Ų148.483%0.83279%0.793SS**  trans-153.1107.9174.3-113.6149.9000112.7
379N20.5Very low22.8Very low151 Ų151152.9 Ų152.981%0.80780%0.799SS**  trans-69.3150.5169.3-70.5-51.6000111.4
380G24.2Very low22.8Very low74 Ų74152.7 Ų152.776%0.76380%0.803SS**  trans-161.999.3177.200000116.5
381C23.7Very low22.9Very low130 Ų130150.7 Ų150.788%0.87880%0.804SS**  trans66.7123.1158.2-74.80000121.8
382Q20.6Very low23.1Very low175 Ų175149.9 Ų149.982%0.81880%0.803SS**  trans-86.7147.9167.7-60.8172-23.600111.4
383Y25.1Very low23.3Very low221 Ų221148.6 Ų148.687%0.86780%0.801SS**  trans-122.386.3157.4-87.5-79.5000110T385Y383-T385 PolarHBondContact O-N 3.1Å
384E19.7Very low23.3Very low134 Ų134151.7 Ų151.763%0.62680%0.8SS**  trans-76.3102.6177.4-171.4-173.4-102.300110.3R386E384-R386 IonicContact OE2-CZ 2.72Å; E384-R386 IonicContact OE2-NE 3.07Å; E384-R386 PolarHBondContact OE2-NE 3.45Å; E384-R386 IonicContact OE2-NH2 3.34Å; E384-R386 PolarHBondContact OE2-NH2 2.8Å
385T23.3Very low23.5Very low124 Ų124152.5 Ų152.576%0.76180%0.804SS**  trans-106.5102.8176.8-43.10000110.5Y383Y383-T385 PolarHBondContact O-N 3.1Å
386R21.4Very low23.3Very low207 Ų207154.7 Ų154.778%0.78181%0.81SS**  trans-74.1131.6-175.3-61.5177.3-178.3-171.8-2.2111.9E384E384-R386 IonicContact OE2-CZ 2.72Å; E384-R386 IonicContact OE2-NE 3.07Å; E384-R386 PolarHBondContact OE2-NE 3.45Å; E384-R386 IonicContact OE2-NH2 3.34Å; E384-R386 PolarHBondContact OE2-NH2 2.8Å
387I23.8Very low23.5Very low155 Ų155151.1 Ų151.180%0.79581%0.809SS**  trans-117.1138.1166.6-62.6-179.8000108.5
388P24.2Very low23.9Very low118 Ų118153 Ų15377%0.76681%0.814SS**  trans-81.8146.2-160.2-12.930.5000114.6A390P388-A390 PolarHBondContact O-N 3.45Å
389K22.1Very low24.1Very low206 Ų206149.9 Ų149.990%0.89681%0.811SS**  trans-69.9111.7166.7-65.8-178.8178-176.90109.8
390A25.4Very low24.6Very low100 Ų100153.9 Ų153.983%0.82682%0.816SS**  trans-99.7103.7171.800000110.5P388P388-A390 PolarHBondContact O-N 3.45Å
391T22.4Very low24.8Very low141 Ų141157.9 Ų157.987%0.86582%0.82SS**  trans-87.1106.3173.9370000110.8
392S26.3Very low25.3Very low108 Ų108157.9 Ų157.976%0.75582%0.816SS**  trans-160.8123.9160.8-161.90000115
393T24.5Very low25.7Very low123 Ų123154.4 Ų154.476%0.75581%0.807SS**  trans2.5125.4160.358.30000121.9
394R21Very low26.1Very low240 Ų240147.6 Ų147.691%0.90679%0.789SS**  trans24.7105.5146.5-69.1-174.6177.8-176.5-0.7118.4
395H27.3Very low26.8Very low189 Ų189148.2 Ų148.288%0.87580%0.796SS**  trans-153.8146.3139.9-93.2-60.1000111.9
396N28.7Very low27.4Very low148 Ų148148.5 Ų148.579%0.79179%0.793SS**  trans-29.7130.8-170.8-59.63.7000118.3
397C24.5Very low28Very low134 Ų134146 Ų14691%0.90579%0.788SS**PPolyproline II helixtrans-65.4127.7174.6-47.90000111.6
398H27.4Very low28.4Very low176 Ų176143.1 Ų143.182%0.81577%0.774SS**PPolyproline II helixtrans-98.9159.3163.7-88.8-69.9000110.3
399A29.5Very low28.9Very low94 Ų94144.4 Ų144.478%0.77777%0.769SS**PPolyproline II helixtrans-57.4155.6-166.600000115.8D401A399-D401 PolarHBondContact O-N 2.87Å
400Y31.3Very low29.2Very low235 Ų235139.9 Ų139.992%0.92276%0.763SS**PPolyproline II helixtrans-59.9117.6175.9-68.4-94.1000112.4T402Y400-T402 PolarHBondContact O-N 3.37Å
401D29.2Very low29.3Very low158 Ų158141.6 Ų141.685%0.84576%0.757SS**  trans-73.8109.4163.9-100.6-26.6000109.1A399 V403A399-D401 PolarHBondContact O-N 2.87Å; D401-V403 PolarHBondContact O-N 2.95Å
402T32.8Very low29.6Very low130 Ų130142.4 Ų142.480%0.79875%0.749SS**  trans-68.7111.4172.653.20000110.3Y400 P404Y400-T402 PolarHBondContact O-N 3.37Å; T402-P404 WeakPolarHBondContact O-CD 3.29Å
403V29.5Very low29.6Very low102 Ų102144.7 Ų144.762%0.61875%0.752SS**  trans-74.7122174.9-179.30000109.7D401 K407D401-V403 PolarHBondContact O-N 2.95Å; V403-K407 HydrophobicContact CG1-CB 4.45Å
404P33.7Very low29.7Very low77 Ų77145.7 Ų145.750%0.575%0.751SS.*  trans-66.9141.5178.9-2234.5000113T402 D406 K407T402-P404 WeakPolarHBondContact O-CD 3.29Å; P404-D406 PolarHBondContact O-N 3.34Å; P404-K407 PolarHBondContact O-N 3.24Å
405L34.3Very low30Very low148 Ų148139.8 Ų139.878%0.77574%0.743SS**G310 helixtrans-48.8-35.5-173.2-100.768000115.3K407 L408L405-K407 PolarHBondContact O-N 3.25Å; L405-L408 PolarHBondContact O-N 3.35Å
406D37Very low29.9Very low130 Ų130136.2 Ų136.270%0.69574%0.74SS**G310 helixtrans-57.4-5-178.7-66.214.5000114.9P404 K719P404-D406 PolarHBondContact O-N 3.34Å; D406-K719 IonicContact OD2-NZ 2.71Å; D406-K719 PolarHBondContact OD2-NZ 3.1Å
407K32.4Very low29.7Very low154 Ų154136 Ų13667%0.6774%0.743SS**G310 helixtrans-116.53.8-176.4-70.1-173.6179.6174.70116.1V403 P404 L405 E409V403-K407 HydrophobicContact CG1-CB 4.45Å; P404-K407 PolarHBondContact O-N 3.24Å; L405-K407 PolarHBondContact O-N 3.25Å; K407-E409 PolarHBondContact O-N 3.35Å; K407-E409 VanDerWaalsContact O-N 3.13Å
408L32.4Very low29.6Very low95 Ų95137.7 Ų137.750%0.49774%0.738SS.*  trans-83.278.7173.4-80.4159.2000110.7L405 C410 L411L405-L408 PolarHBondContact O-N 3.35Å; L408-C410 PolarHBondContact O-N 2.86Å; L408-C410 VanDerWaalsContact O-N 3.16Å; L408-L411 PolarHBondContact O-N 3.09Å
409E35.1Very low29.3Very low144 Ų144136.8 Ų136.867%0.67374%0.736SS**G310 helixtrans-66.7-10.8175.3-70.7-153.9119.100113.9K407 L411 K412K407-E409 PolarHBondContact O-N 3.35Å; K407-E409 VanDerWaalsContact O-N 3.13Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.75Å; E409-K412 IonicContact OE1-NZ 2.72Å; E409-K412 PolarHBondContact OE1-NZ 2.74Å
410C29.2Very low29Very low111 Ų111141 Ų14175%0.7574%0.744SS**G310 helixtrans-73.7-10.1174.8-58.80000114.5L408L408-C410 PolarHBondContact O-N 2.86Å; L408-C410 VanDerWaalsContact O-N 3.16Å
411L27.6Very low28.4Very low137 Ų137133.9 Ų133.972%0.71773%0.73SS**G310 helixtrans-101.112.5177-68.5176.4000114L408 E409 L413L408-L411 PolarHBondContact O-N 3.09Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 2.75Å; L411-L413 VanDerWaalsContact C-N 3.28Å
412K28.1Very low28Very low157 Ų157135.6 Ų135.668%0.68373%0.729SS**  trans-86.311.5169.8-77.4-178179.4168.20114E409E409-K412 IonicContact OE1-NZ 2.72Å; E409-K412 PolarHBondContact OE1-NZ 2.74Å
413L25.8Very low27.4Very low157 Ų157134.3 Ų134.382%0.82273%0.726SS**  trans-115.255.2-179.7-72.9172.2000112.5L411L411-L413 VanDerWaalsContact C-N 3.28Å
414I27.2Very low27Very low144 Ų144134.5 Ų134.574%0.73873%0.731SS**SBendtrans-128.5114.3152.5-58.3-179.6000105.9S416I414-S416 PolarHBondContact O-N 3.46Å
415P27.4Very low26.4Very low115 Ų115140.1 Ų140.175%0.74775%0.751SS**  trans-62.9120.6-176.4-23.834.2000111.9V417P415-V417 PolarHBondContact O-N 3.41Å
416S24Very low25.9Very low114 Ų114139.1 Ų139.180%0.79775%0.751SS**  trans-66.9101.5169.9-58.40000109.7I414 Q418I414-S416 PolarHBondContact O-N 3.46Å; S416-Q418 PolarHBondContact O-N 3.24Å
417V24.8Very low25.3Very low143 Ų143140.5 Ų140.587%0.86776%0.758SS**  trans-73.278.2169.3-175.70000109P415P415-V417 PolarHBondContact O-N 3.41Å
418Q22Very low24.9Very low171 Ų171138.1 Ų138.180%0.79976%0.761SS**  trans-94.2155.9150.9-80.3-173.6-27.700108.6S416S416-Q418 PolarHBondContact O-N 3.24Å
419M21.9Very low24.6Very low156 Ų156142.7 Ų142.777%0.76878%0.78SS**  trans78.176.3-179.9-50.1-60.5-72.400116
420L22.3Very low24Very low182 Ų182144.4 Ų144.495%0.95379%0.793SS**  -136.793.6128.7-101175.8000109.6
421S18.9Very low23.7Very low87 Ų87144.2 Ų144.261%0.60879%0.792SS**  trans-119.6125.6168.561.90000109
422K21.3Very low23.6Very low193 Ų193145.1 Ų145.184%0.83980%0.798SS**  trans106143.1168-61.7-178.1176.6-176.50117.9
423S20.2Very low23.4Very low104 Ų104145.3 Ų145.373%0.72781%0.806SS**  trans63.9104.6157.246.80000119.6
424S20.6Very low23.3Very low105 Ų105145.1 Ų145.173%0.73481%0.811SS**  19.9118.8121.157.40000118.4
425E22.5Very low23.1Very low196 Ų196145.9 Ų145.992%0.91682%0.816SS**  -164.7169.8107.9-110170.2-174.400111.9
426V22.9Very low22.9Very low127 Ų127148.3 Ų148.377%0.7782%0.821SS**  trans-77.5135.9-171.5179.10000110.8
427N25.5Very low22.9Very low159 Ų159152.5 Ų152.585%0.8583%0.825SS**  trans-155.5140.8138.9-100.3-31000111.7
428S22.5Very low22.8Very low104 Ų104150.5 Ų150.573%0.72782%0.817SS**  trans-78.5122.2-177.648.90000111.9
429E26.1Very low23Very low190 Ų190147.7 Ų147.789%0.88882%0.816SS**  trans-17466.3147.1-107.2166.4-15300109.8
430L23.5Very low23.1Very low180 Ų180147.6 Ų147.694%0.94282%0.819SS**  trans-138.559.8169.2-148.3102.8000111.2
431S22.9Very low23.3Very low107 Ų107149.5 Ų149.575%0.74882%0.815SS**  trans-137.566.117460.70000110.2
432N24.5Very low23.4Very low157 Ų157152.1 Ų152.184%0.8483%0.827SS**SBendtrans-158.3140.5158.6-96.2-37.5000110.7
433L24.8Very low23.5Very low161 Ų161148.3 Ų148.384%0.84382%0.822SS**  trans66.571.3170.2-56.8171.6000117.1
434T23.5Very low23.5Very low152 Ų152149.7 Ų149.793%0.93383%0.826SS**  trans-129.180.8140.6-51.50000108.9
435L22.9Very low23.6Very low161 Ų161150 Ų15084%0.84382%0.824SS**  trans-119111.2169-155.897.8000107.9
436I24.3Very low23.5Very low165 Ų165147.1 Ų147.185%0.84681%0.814SS**  trans17398.4151.6-86.7149.1000104.4
437K23.9Very low23.3Very low202 Ų202145.8 Ų145.888%0.87881%0.81SS**  trans-117.8115.3164.5-98.6-169.5176.3-176.80107.7
438S22.2Very low23.1Very low101 Ų101147 Ų14771%0.70681%0.808SS**  trans25.2136.1134.259.80000121
439S25.7Very low23Very low112 Ų112148.6 Ų148.678%0.78381%0.808SS**  trans91.299.9141.2-159.10000117.9Y441S439-Y441 PolarHBondContact O-N 3.39Å
440D24.3Very low22.8Very low155 Ų155148.1 Ų148.183%0.82981%0.805SS**  trans-66.8122.3157.7-54.4-68.5000110.7
441Y26Very low22.7Very low221 Ų221142.6 Ų142.687%0.86779%0.791SS**  trans-168.7119.1143.7-114.3-75.7000108.5S439S439-Y441 PolarHBondContact O-N 3.39Å
442V21.5Very low22.6Very low143 Ų143144.3 Ų144.387%0.86779%0.792SS**  trans-110.2117.3-177.5178.10000110
443P23.1Very low22.5Very low113 Ų113143.5 Ų143.573%0.73478%0.783SS**  trans-113151.1157.236-27.1000112
444T21.1Very low22.4Very low132 Ų132144.5 Ų144.581%0.8178%0.781SS**  trans-73.6160.4-176-42.70000113.2
445T21.5Very low22.3Very low112 Ų112145.8 Ų145.869%0.68778%0.776SS**  trans121.799.6138-39.30000117.6
446I20.9Very low22.1Very low136 Ų136146.2 Ų146.270%0.69777%0.774SS**  trans62.1114.2134.2-57176000121.3
447S19.2Very low21.9Very low99 Ų99146.1 Ų146.169%0.69277%0.774SS**  28.2130.2126.3-35.90000122.5
448F20.7Very low21.8Very low183 Ų183144.7 Ų144.780%0.80377%0.771SS**  175.8117.2115.3-91.3-77.1000106
449L19.6Very low21.5Very low139 Ų139146 Ų14673%0.72877%0.774SS**  73.5136.778.9-99.5171.5000115.8
450H22.4Very low21.4Very low180 Ų180146.3 Ų146.383%0.83378%0.777SS**  trans66.6140.1-177.9-71.6-89000117.8
451G21.3Very low21.1Very low63 Ų63147.2 Ų147.265%0.64978%0.776SS**  cis125.6100.3-9.200000114.1
452D22.2Very low20.8Very low144 Ų144146.2 Ų146.277%0.7777%0.772SS**  trans-167.2151.1169.5-108.6-9.2000107.9
453Q21.6Very low20.8Very low139 Ų139145.3 Ų145.365%0.6576%0.762SS**  cis-166.8152.6-28.2-139.8-174.180.600108.1
454K21.8Very low20.7Very low183 Ų183145.4 Ų145.480%0.79676%0.761SS**  trans72.5141.6173.8-53.9161.8-174.9172.90113.8
455Q22.2Very low20.7Very low178 Ų178145.7 Ų145.783%0.83275%0.753SS**  cis-140.5170.127.2-149.6162.90.100113
456E18.7Very low20.7Very low170 Ų170147.2 Ų147.279%0.79475%0.75SS**  trans-65.8142.9-164.2-59.7134.7123.800116
457L20.8Very low20.8Very low164 Ų164147.4 Ų147.486%0.85975%0.753SS**  trans-160.6122.6146-114150.2000113.1
458H20.8Very low21.1Very low172 Ų172152 Ų15280%0.79676%0.763SS**  trans30.1136.3161.1-93.3-83.4000124.6
459T17Very low21Very low127 Ų127149.3 Ų149.378%0.77976%0.762SS**  trans-59.3137.3166.351.60000115.6
460S22.6Very low21.3Very low120 Ų120151.2 Ų151.284%0.83977%0.767SS**  trans-152.1143.7139.354.80000111.1
461E17.5Very low21.2Very low174 Ų174148.6 Ų148.681%0.81376%0.764SS**  trans-89.3149.3-178.2-57.7163.6134.100110.7
462Y20.3Very low21.5Very low200 Ų200154 Ų15478%0.78478%0.776SS**  167.8115.8122.4-106.8-104.2000113.2
463N21.6Very low21.5Very low124 Ų124154 Ų15466%0.66377%0.771SS**  trans43.8120.7136-65.8-16.7000124.5
464T20.7Very low21.5Very low115 Ų115152.7 Ų152.771%0.70677%0.768SS**  39.4129.4114.73.40000119.6
465E22.1Very low21.5Very low138 Ų138150.7 Ų150.765%0.64577%0.767SS**  -175.8149.665.1-79.8-150.913300114.8
466K21.9Very low21.8Very low144 Ų144149.5 Ų149.563%0.62676%0.764SS**  trans52.8126.9134.1-63.8173.9-173.9149.90124.4
467N21.3Very low21.8Very low140 Ų140148.9 Ų148.975%0.74977%0.765SS**  55.8121.8125.4-53.2-11.5000121.6
468Q26.2Very low22Very low194 Ų194148.8 Ų148.891%0.90776%0.758SS**  -168.6138.596.4-104.7176.30.600114.2
469T19.4Very low22.2Very low128 Ų128146.8 Ų146.879%0.78575%0.753SS**  trans-91.4141.3167.541.20000111.7
470Q24.5Very low22.8Very low179 Ų179147.4 Ų147.484%0.83676%0.757SS**  trans-178.2120.7134-100165.611.900109.1
471V21.8Very low22.7Very low125 Ų125152.5 Ų152.576%0.75876%0.758SS**  59.597.691.7-1780000113.3
472I27.6Very low23Very low176 Ų176151.5 Ų151.590%0.90376%0.758SS**  trans-132.3127.5130.3-63.8-172.6000107
473E20.7Very low23.4Very low145 Ų145147.8 Ų147.868%0.67876%0.762SS**  trans-112.2168.2-176.3-145.6-179.8-133.300108.8
474N21.5Very low23.5Very low110 Ų110147.3 Ų147.359%0.58876%0.763SS**  trans74.5114.7148-68.3-24.9000122.4
475N22.1Very low23.5Very low142 Ų142148.9 Ų148.976%0.75977%0.767SS**  96.1162.1115-71.9-20000122.3
476I28.2Very low23.8Very low153 Ų153149.9 Ų149.979%0.78577%0.774SS**  trans9466.8163.5-42.1-171.6000116.1
477L20.1Very low23.8Very low156 Ų156149.6 Ų149.682%0.81778%0.778SS**  -34130.3124.4179.686.8000112.7
478K23.8Very low23.8Very low163 Ų163148.2 Ų148.271%0.70977%0.774SS**  trans172146130.9-99.2175178.8-170.80114.8
479D24.5Very low23.5Very low130 Ų130144.4 Ų144.470%0.69577%0.765SS**  trans49.8135144.7-46.7-30.3000119.2
480T30.3Very low23.5Very low139 Ų139143.3 Ų143.385%0.85376%0.762SS**  cis-153.1155.548.337.40000114
481R20.4Very low23.3Very low227 Ų227139.6 Ų139.686%0.85776%0.756SS**  trans-91.9156.4165.2-83.3176.5167.6154.3-5.7110.9
482N23.8Very low23.3Very low153 Ų153138.4 Ų138.482%0.81875%0.753SS**  trans65.4118.2156.3-59.5-4.8000119.3
483S29.3Very low22.9Very low123 Ų123138.7 Ų138.786%0.8675%0.751SS**  -149.1150.2127.3-166.50000109.8
484V22.8Very low23Very low113 Ų113138.9 Ų138.969%0.68576%0.762SS**  trans-136.2144.6-170.2165.70000109
485D21.6Very low22.8Very low149 Ų149142.6 Ų142.680%0.79778%0.776SS**  trans60.7116.5166.1-65.1-22.4000122.1
486M27.2Very low22.9Very low159 Ų159142 Ų14278%0.78378%0.777SS**  -167.9131125.1-99.1-152.971.100108
487L22.8Very low22.4Very low137 Ų137140.3 Ų140.372%0.71778%0.779SS**  52.9139.374.2-70.7170000113.9
488V20.4Very low22.6Very low111 Ų111139.2 Ų139.267%0.67378%0.778SS**  cis-165.5160-2593.90000108.3
489T21Very low22.6Very low115 Ų115138 Ų13871%0.70678%0.779SS**  trans56.9114.6164.150.40000122.7
490S19.6Very low22.5Very low104 Ų104137.7 Ų137.773%0.72778%0.777SS**  99.1142.2114.979.70000122.6
491S20.6Very low22.2Very low102 Ų102137.7 Ų137.771%0.71377%0.767SS**  trans90.5122.4144.3-55.30000120.9
492S21.3Very low22.4Very low100 Ų100134.6 Ų134.670%0.69976%0.76SS**  trans56.4112143.855.50000120.8
493E19.5Very low22.4Very low182 Ų182136.4 Ų136.485%0.8576%0.763SS**  32.2111.8119.1-60.1177.9167.600118.4
494T21.7Very low22Very low149 Ų149135.1 Ų135.191%0.91475%0.754SS**  -167.1148.4123.211.30000112.4
495E18.4Very low22.2Very low187 Ų187139.1 Ų139.187%0.87476%0.762SS**  trans-75.6127.5172.2-53.8166.9122.400110.3
496V22.6Very low22.2Very low131 Ų131139.3 Ų139.379%0.79476%0.763SS**  trans-145121.7147.5-177.50000109.9V498V496-V498 HydrophobicContact CG1-CG2 4.11Å
497S19.4Very low21.8Very low116 Ų116137.8 Ų137.881%0.81177%0.767SS**  trans-78.9128.6169.4-44.20000110.9
498V24.1Very low21.7Very low133 Ų133140.5 Ų140.581%0.80678%0.776SS**  trans-131.3137.5164.1-177.20000111V496V496-V498 HydrophobicContact CG1-CG2 4.11Å
499L22Very low21.7Very low139 Ų139140.3 Ų140.373%0.72878%0.78SS**  trans-76.7175.4-174-9572000114.8
500N24Very low22Very low122 Ų122142.1 Ų142.165%0.65279%0.785SS**  trans103138.6151.7-60.8-36.5000115.9
501H23.5Very low22.1Very low140 Ų140148 Ų14865%0.64879%0.791SS**  cis-163.9161.1-2.3-124.7-19.3000113.3
502K23.7Very low22Very low162 Ų162148.8 Ų148.870%0.70479%0.792SS**  trans63.4104.6145.2-69.8168.9-178.1177.20120.9
503H24.1Very low22Very low191 Ų191149 Ų14988%0.88479%0.793SS**  179.3149.7123.5-88.7-60.3000106.3
504S22.2Very low22Very low96 Ų96148.7 Ų148.767%0.67179%0.792SS**  cis-164165.6-12.4-172.90000108.2
505K25.9Very low22Very low197 Ų197148.9 Ų148.986%0.85779%0.786SS**  trans81.6111.3166.9-55.7-177.3179.3178.80120.1
506N21.6Very low22Very low152 Ų152144.5 Ų144.581%0.81378%0.776SS**  trans-23.5137.4158.7-55.3-10.7000116
507C19.9Very low22Very low128 Ų128145.6 Ų145.687%0.86578%0.777SS**  69.585.961.1-68.10000114.6
508E21Very low21.9Very low194 Ų194147.8 Ų147.891%0.90778%0.779SS**  trans-90.7148.4149.2-78.1-170.2128.500110.4
509S20Very low21.9Very low107 Ų107150.6 Ų150.675%0.74878%0.783SS**  trans-135.3116.2179.557.10000110.2
510N27.9Very low21.7Very low152 Ų152151.8 Ų151.881%0.81379%0.789SS**  trans-146101.2172.1-94.6-40.1000113.4
511R21.2Very low21.6Very low227 Ų227153.5 Ų153.586%0.85780%0.799SS**  trans31.3119135.7-81-177.2174.3178.7-1.3121.8
512T19Very low21.6Very low120 Ų120151.8 Ų151.874%0.73680%0.8SS**  51.2128.2126.4620000121.6
513S21.1Very low21.5Very low103 Ų103153.3 Ų153.372%0.7281%0.809SS**  159.7122.8116.9-77.10000113.6
514E19.6Very low21.4Very low177 Ų177149 Ų14983%0.82780%0.8SS**  trans36.8109.3139.5-61.6174.1170.700119.8
515I19.9Very low21.4Very low153 Ų153153.8 Ų153.879%0.78581%0.81SS**  56123.385.9-57.6176.8000115.1
516S19.4Very low21.3Very low95 Ų95149.5 Ų149.566%0.66480%0.804SS**  trans64.7118161.963.50000119.5
517N21.9Very low21.4Very low154 Ų154151.2 Ų151.282%0.82481%0.805SS**  -160.1139.399.7-101.7-46000114.2
518L18.5Very low21.5Very low162 Ų162152.7 Ų152.785%0.84880%0.804SS**  trans-85.1132.2160.7-73153.1000107.6
519Q22.8Very low21.4Very low191 Ų191153.5 Ų153.589%0.89380%0.799SS**  trans-153.7137.7146.6-155.3127.6-3000113.1
520L18.7Very low21.4Very low164 Ų164154.2 Ų154.286%0.85980%0.804SS**  trans-84.5145170.5-69.9149.5000110.1
521N21.6Very low21.1Very low159 Ų159153 Ų15385%0.8580%0.796SS**  trans-158.4138149.1-135.7-5.5000112.9
522P23.7Very low21.1Very low103 Ų103147.2 Ų147.267%0.66979%0.791SS**  trans-111.5120.5176.136-25.4000113.5
523Q21.6Very low21.1Very low194 Ų194147 Ų14791%0.90779%0.794SS**  trans175.4149.4164.1-97.9153.139.800105.8
524S22.8Very low21.1Very low100 Ų100149.3 Ų149.370%0.69980%0.798SS**  cis-158.6149.87.141.20000111.6
525F21.4Very low21.2Very low198 Ų198146.1 Ų146.187%0.86880%0.795SS**  trans46.4116152.3-78.7-90.9000124.5
526S23.1Very low21.2Very low106 Ų106150.1 Ų150.174%0.74180%0.8SS**  trans74.9139.3141.983.70000118.2
527K24.1Very low21.3Very low188 Ų188155.3 Ų155.382%0.81781%0.811SS**SBendcis-129.4133.813.4-69.5169.3179.3166.70112.6
528N21.8Very low21.1Very low160 Ų160154.1 Ų154.186%0.85682%0.815SS**  trans53.968.4155.2-61.8-1.4000119.3S530N528-S530 PolarHBondContact O-N 2.89Å
529R19.7Very low21.4Very low210 Ų210153.1 Ų153.179%0.79281%0.809SS**  trans-57.9120.8156.2-177.3-172.7-163.3-173.98.4111.7I531R529-I531 HydrophobicContact CG-CB 4.01Å; R529-I531 HydrophobicContact CG-CD1 4.44Å; R529-I531 HydrophobicContact CG-CG1 4.2Å
530S20.2Very low21.3Very low122 Ų122152.6 Ų152.685%0.85381%0.807SS**  trans-118.375.7151.751.50000109.6N528N528-S530 PolarHBondContact O-N 2.89Å
531I20.4Very low21.5Very low126 Ų126151.8 Ų151.865%0.64680%0.802SS**  trans-124.7108.3172.6-60.9173.1000107R529R529-I531 HydrophobicContact CG-CB 4.01Å; R529-I531 HydrophobicContact CG-CD1 4.44Å; R529-I531 HydrophobicContact CG-CG1 4.2Å
532S21Very low21.9Very low107 Ų107149 Ų14975%0.74879%0.793SS**  trans171.599.5149.9169.80000113.3
533S20.7Very low21.9Very low115 Ų115154.1 Ų154.180%0.80480%0.804SS**  trans-167.894138.552.20000107.8
534N21Very low21.9Very low151 Ų151149.5 Ų149.581%0.80780%0.8SS**  58.8142.882.6-95.9-15.6000117.2
535S21.1Very low21.9Very low110 Ų110149.9 Ų149.977%0.76980%0.803SS**  trans67.9102164.651.30000121.1
536R19.9Very low21.9Very low237 Ų237146.9 Ų146.989%0.89480%0.8SS**  8.2136121.2-64176178169.90.3119
537K20.9Very low22.1Very low205 Ų205150.9 Ų150.989%0.89180%0.804SS**  trans70125.8142.4-78.5-167.5173.1-169.80120.6
538S18.8Very low22.2Very low128 Ų128147.9 Ų147.990%0.89580%0.804SS**  trans101.4151.7137.6-139.50000120
539L24Very low22.2Very low141 Ų141147.1 Ų147.174%0.73880%0.798SS**  trans-88.5140.7-169.5-174.579.6000112
540E20.8Very low22.2Very low180 Ų180147.7 Ų147.784%0.84180%0.8SS**  169.8168.1128.3-94.9-171.5167.100115.7
541I22.7Very low22.2Very low147 Ų147149.6 Ų149.675%0.75480%0.796SS**  trans-157.1156.1-154.1-61.5160.5000108.5
542P30.7Very low22.2Very low102 Ų102154.5 Ų154.566%0.66281%0.806SS**  cis-126.8-174-19.635.3-16.7000113.7
543K22.2Very low22.5Very low209 Ų209154.7 Ų154.791%0.90981%0.805SS**  169.3172.1127.5-91.7168.3-171.9174.90114.6
544A23.5Very low22.4Very low98 Ų98155.1 Ų155.181%0.8180%0.802SS**  trans-105.9172.6-16600000114.9
545S21.2Very low22.4Very low108 Ų108157.1 Ų157.176%0.75580%0.804SS**  trans114.4124.2144.4-150.80000118.5
546V22.2Very low22.3Very low135 Ų135157.3 Ų157.382%0.81880%0.801SS**  trans71.4137.3148.9170.90000120.6
547K28.2Very low22.3Very low189 Ų189153.3 Ų153.382%0.82280%0.795SS**  trans-60.3151.3176.1-59.1172.6-179.8176.40110.8
548P25.7Very low22.3Very low125 Ų125151.4 Ų151.481%0.81279%0.793SS**  -154.7-174.662.642.6-20.5000119.1
549I20.9Very low22.4Very low145 Ų145148.1 Ų148.174%0.74478%0.779SS**  trans-40.4145.9171.1-74.6166.4000117.5
550R20.1Very low22.4Very low221 Ų221147.8 Ų147.883%0.83478%0.783SS**  trans73105.8156.8-79.3167.4-173.7-163.91.3122
551Q20.1Very low22.4Very low162 Ų162148 Ų14876%0.75778%0.784SS**  59.6110.8124.1-66.9-175.1-8.900123
552R20.2Very low22.4Very low230 Ų230148.1 Ų148.187%0.86879%0.785SS**  trans70.4163.8143.3-58.1-178.6173.6-176.3-1117.3
553P26.9Very low22.3Very low110 Ų110148.4 Ų148.471%0.71479%0.788SS**  -139.6173-60.842.7-26.8000115.4
554V20.1Very low22.4Very low124 Ų124144.1 Ų144.175%0.75278%0.779SS**  trans81.6121.9146.2162.70000122.7
555K20.7Very low22.3Very low194 Ų194144.5 Ų144.584%0.84378%0.776SS**  trans82126.7144.7-89173.5-172.2-178.90125.4
556T19.7Very low23.3Very low114 Ų114145 Ų14570%0.69978%0.776SS**  trans105.1102.7134.1-55.40000123.4
557I19.5Very low23.3Very low152 Ų152149.8 Ų149.878%0.77978%0.78SS**  trans44.6140.5133.4-27.4169.9000124.7
558I20.6Very low23Very low166 Ų166145.6 Ų145.685%0.85177%0.774SS**  trans112.8120.1145.1-54.8-178.7000119.8
559G21.1Very low22.8Very low58 Ų58151.3 Ų151.360%0.59878%0.78SS**  107.8134.1124.400000123.9
560T23.4Very low22.9Very low134 Ų134150.6 Ų150.682%0.82279%0.787SS**  trans62.8152.1146.360.20000121.3
561E21.5Very low23Very low184 Ų184145.4 Ų145.486%0.8679%0.785SS**  cis-160-171-15.3-120177.8-154.200114.7
562L22.5Very low23.3Very low150 Ų150147.3 Ų147.379%0.78579%0.794SS**  trans-70.7175.7-168.7-124.576.4000117.4
563P29.2Very low23.3Very low109 Ų109146 Ų14671%0.70879%0.794SS**  -154.7149.862.839.3-15.9000122.4
564T23.3Very low23.2Very low119 Ų119146.4 Ų146.473%0.7380%0.8SS**  trans56.9132.8146.1570000123.7
565S22.3Very low23.1Very low106 Ų106147.6 Ų147.674%0.74180%0.802SS**  cis97.4154.917.1-167.80000115.6
566P42.2Very low23.3Very low117 Ų117145.7 Ų145.776%0.7680%0.801SS**  cis-140.2168.5-32.834.8-16.8000117
567R21.2Very low23.7Very low236 Ų236144.9 Ų144.989%0.89180%0.798SS**  trans-167.9124.4134-137.5-176.6165.2148-5.1116
568S22.8Very low23.9Very low101 Ų101146.9 Ų146.971%0.70680%0.801SS**  trans41.9153.4145.860.30000124.5
569R19.7Very low24Very low246 Ų246149.3 Ų149.393%0.92880%0.801SS**  cis177.4113.2-23.2-171.7-175.5-154.7179.46.1107.9
570S24.3Very low24.1Very low130 Ų130152 Ų15291%0.90981%0.811SS**  trans-159.6145.216156.70000111.7
571S21.7Very low24.1Very low112 Ų112154.8 Ų154.878%0.78381%0.812SS**  trans-120.5143.8-167.651.70000112.3
572Q26.4Very low24.4Very low202 Ų202152.1 Ų152.194%0.94481%0.81SS**  trans-155.2147.1136.9-115.8173.25.100111.5
573K20Very low24.4Very low201 Ų201151.1 Ų151.187%0.87481%0.806SS**  trans-96.8141.4177.2-67.7172.7174.4176.30109.3
574S24.2Very low24.3Very low120 Ų120155.4 Ų155.484%0.83981%0.813SS**  trans-153.5101.2144.357.70000109.6
575N19.8Very low24.4Very low148 Ų148155 Ų15579%0.79181%0.806SS**  trans-75.9132.9165-68.3-17.5000108.3
576N24.9Very low24.6Very low155 Ų155156.3 Ų156.383%0.82981%0.805SS**  -173.8157.1108.2-94.2-13.7000112.1
577P27.8Very low24Very low96 Ų96158 Ų15862%0.62381%0.812SS**  trans-102.6161.7-164.439.2-33.4000112.9
578F22.9Very low24.3Very low194 Ų194152.1 Ų152.185%0.85179%0.794SS**  -167.3155.9107.9-114.9-82.5000113
579Y22.9Very low24.5Very low217 Ų217155.5 Ų155.585%0.85180%0.796SS**  trans-66.4140.2177.6-84.1-115.2000112.9
580S23.5Very low24.8Very low114 Ų114152.9 Ų152.980%0.79779%0.791SS**  -163162.2124.256.30000111.4
581K22.5Very low24.9Very low194 Ų194151.9 Ų151.984%0.84378%0.783SS**  trans-74.7136.4-173.5-62.6163.4-177.1164.40110.2N583K581-N583 PolarHBondContact O-N 2.93Å; K581-N583 VanDerWaalsContact O-N 3.11Å
582P28.3Very low24.9Very low127 Ų127152.1 Ų152.183%0.82577%0.772SS**  trans-66115.217127.5-32.6000109.2K584P582-K584 PolarHBondContact O-N 3.16Å
583N23.4Very low24.7Very low130 Ų130147.1 Ų147.170%0.69576%0.759SS**  trans-76.3109.4-175.7-157.52.8000109.2K581 N585K581-N583 PolarHBondContact O-N 2.93Å; K581-N583 VanDerWaalsContact O-N 3.11Å; N583-N585 PolarHBondContact O-N 3.36Å
584K26.9Very low25Very low199 Ų199145.6 Ų145.687%0.86576%0.759SS**SBendtrans-68.979.4165.3-74.1-172.5174.7-169.20108.3P582P582-K584 PolarHBondContact O-N 3.16Å
585N25.2Very low24.8Very low110 Ų110143.7 Ų143.759%0.58875%0.745SS**  trans176.576.3161.8-90.9-15.9000110.3N583N583-N585 PolarHBondContact O-N 3.36Å
586L26.9Very low24.9Very low134 Ų134143.7 Ų143.770%0.70275%0.746SS**SBendtrans-147.5-18.3161.9-108.7138.2000113.8K588L586-K588 PolarHBondContact O-N 2.86Å
587T28.3Very low24.9Very low151 Ų151142.8 Ų142.893%0.92675%0.745SS**THydrogen-bonded Turntrans-83.612.9161.2380000114.2
588K29Very low24.6Very low114 Ų114146.9 Ų146.950%0.49676%0.756SS.*THydrogen-bonded Turntrans-121.85.3169.5-143.8170.9-169.5-90.10113.8L586 E592L586-K588 PolarHBondContact O-N 2.86Å; K588-E592 IonicContact NZ-OE1 2.57Å; K588-E592 PolarHBondContact NZ-OE1 3.37Å
589K26.7Very low24.7Very low172 Ų172143.4 Ų143.475%0.74875%0.751SS**SBendtrans-96.511.3174.3-100-167.5172-167.50114.6
590F24.4Very low24.6Very low191 Ų191140.9 Ų140.984%0.83875%0.752SS**SBendtrans-109.32.9168.1-136.6-91.5000112.9
591C26.5Very low24.6Very low109 Ų109142.7 Ų142.774%0.73675%0.751SS**SBendtrans-134.915.8-178.2-58.40000114.2
592E23.3Very low24.4Very low116 Ų116142.6 Ų142.654%0.54275%0.754SS.*SBendtrans-129.424.4176.1-72.8-179.4178.100112.1K588K588-E592 IonicContact NZ-OE1 2.57Å; K588-E592 PolarHBondContact NZ-OE1 3.37Å
593S21.4Very low24.2Very low98 Ų98143.4 Ų143.469%0.68575%0.75SS**SBendtrans-107.12.8172.747.30000113.8
594I25.9Very low24.1Very low168 Ų168142.8 Ų142.886%0.86275%0.753SS**SBendtrans-133.162.3169.6-46-179.4000109.3
595S20.2Very low23.8Very low80 Ų80142.7 Ų142.756%0.55975%0.753SS**  trans-144.886.1160.960.40000107.4
596N22.3Very low23.9Very low149 Ų149142.6 Ų142.680%0.79776%0.758SS**  trans161.369.2158.8-83.4-1.9000110.4
597V25.6Very low23.9Very low135 Ų135143.4 Ų143.482%0.81876%0.763SS**  trans-13582.7147.2-176.70000106.2T599V597-T599 PolarHBondContact O-N 3.04Å
598E20.4Very low23.8Very low183 Ų183143 Ų14386%0.85576%0.756SS**  trans-79.6105.1164.9-70.4-179.7140.800108.4
599T25.4Very low23.7Very low121 Ų121145 Ų14574%0.74277%0.771SS**  trans-139.3123.7153.7410000109.4V597 I601V597-T599 PolarHBondContact O-N 3.04Å; T599-I601 PolarHBondContact O-N 3.36Å
600N20.3Very low23.8Very low164 Ų164141 Ų14188%0.87777%0.765SS**  trans-70.5123-170.9-59.1-56000112.2
601I23.5Very low24Very low151 Ų151138.2 Ų138.277%0.77476%0.755SS**  trans-136.5114.3149.7-58.7-177.4000106.7T599 I603T599-I601 PolarHBondContact O-N 3.36Å; I601-I603 PolarHBondContact O-N 3.05Å
602E19.3Very low24Very low192 Ų192143 Ų14390%0.89776%0.759SS**  trans-68.1117178.3-67.4179.313000110.3
603I23.4Very low24.3Very low145 Ų145143.5 Ų143.574%0.74477%0.765SS**  trans-113.9119.2166.3-59.8179.1000106.4I601 F605I601-I603 PolarHBondContact O-N 3.05Å; I603-F605 PolarHBondContact O-N 3.5Å
604P22.1Very low24.8Very low116 Ų116145.6 Ų145.675%0.75376%0.764SS**PPolyproline II helixtrans-70.6132.7-166.426.2-34.3000112.4
605F20.7Very low24.8Very low197 Ų197145 Ų14586%0.86476%0.758SS**PPolyproline II helixtrans-59.7125.5172.8-77.5-97000111.1I603 N607I603-F605 PolarHBondContact O-N 3.5Å; F605-N607 PolarHBondContact O-N 2.98Å
606P26.9Very low25.2Very low109 Ų109148.5 Ų148.571%0.70876%0.763SS**PPolyproline II helixtrans-69.6126.7166.128.9-31.6000109.3N608P606-N608 PolarHBondContact O-N 2.72Å; P606-N608 VanDerWaalsContact O-N 3.08Å
607N26.9Very low25.5Very low151 Ų151147.5 Ų147.581%0.80775%0.754SS**  trans-67106177.1-89.6-40000110.8F605 N609F605-N607 PolarHBondContact O-N 2.98Å; N607-N609 PolarHBondContact O-N 3.46Å
608N26.6Very low25.6Very low143 Ų143146.1 Ų146.177%0.76574%0.742SS**  trans-65.992.6167.5-77.8-5.4000110.3P606P606-N608 PolarHBondContact O-N 2.72Å; P606-N608 VanDerWaalsContact O-N 3.08Å
609N26.8Very low25.9Very low155 Ų155144 Ų14483%0.82973%0.732SS**  trans-143.960.2170.4-94.6-38.3000109.8N607N607-N609 PolarHBondContact O-N 3.46Å
610S28Very low26.3Very low88 Ų88143.3 Ų143.362%0.61572%0.719SS**  trans-139.6-15.2177.154.40000116.2Y612 N613S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 VanDerWaalsContact O-N 3.11Å; S610-N613 PolarHBondContact O-N 3.08Å
611E27.7Very low27Very low133 Ų133138.4 Ų138.462%0.62170%0.697SS**THydrogen-bonded Turntrans-67.9-11.3-175.4-76.4-175.7133.600115.4N613E611-N613 VanDerWaalsContact C-N 3.34Å; E611-N613 PolarHBondContact O-N 3.28Å
612Y27.9Very low27.4Very low208 Ų208135.4 Ų135.482%0.81668%0.682SS**THydrogen-bonded Turntrans-81-5.7177.6-110.4-88000115.4S610S610-Y612 PolarHBondContact O-N 3.22Å; S610-Y612 VanDerWaalsContact O-N 3.11Å
613N29.8Very low28.1Very low127 Ų127129.7 Ų129.768%0.67966%0.663SS**SBendtrans-101.7-10.6-178.7-84.3-32.3000115S610 E611S610-N613 PolarHBondContact O-N 3.08Å; E611-N613 VanDerWaalsContact C-N 3.34Å; E611-N613 PolarHBondContact O-N 3.28Å
614E30.5Very low28.7Very low143 Ų143126.9 Ų126.967%0.66865%0.647SS**Hα-helixtrans-77.2-28.2-179.9-66.9-158.8145.700113.5F616 Q617E614-F616 VanDerWaalsContact C-N 3.3Å; E614-F616 PolarHBondContact O-N 2.77Å; E614-Q617 PolarHBondContact O-N 2.9Å
615Q26.4Very low29.3Very low154 Ų154123.5 Ų123.572%0.7263%0.625SS**Hα-helixtrans-64-31.8178.2-73.9-171.8-10.200113.4
616F28.1Very low30.1Very low155 Ų155118.1 Ų118.168%0.6861%0.608SS**Hα-helixtrans-81.1-17.8179.1-86.8-75.1000114.6E614E614-F616 VanDerWaalsContact C-N 3.3Å; E614-F616 PolarHBondContact O-N 2.77Å
617Q29.3Very low30.7Very low128 Ų128115.8 Ų115.860%0.59859%0.59SS**Hα-helixtrans-73.9-38.1174.2-72-74.9-7.600111.2E614 E619 K620E614-Q617 PolarHBondContact O-N 2.9Å; Q617-E619 PolarHBondContact O-N 3.31Å; Q617-K620 PolarHBondContact O-N 3.41Å
618N27.5Very low31.6Very low105 Ų105111.4 Ų111.456%0.56157%0.566SS**Hα-helixtrans-66.7-31.3-176.1-75.2-24.4000113.9K620 S621 I622N618-K620 PolarHBondContact O-N 3.46Å; N618-S621 PolarHBondContact O-N 3.3Å; N618-I622 WeakPolarHBondContact O-CD1 3.38Å; N618-I622 WeakPolarHBondContact O-CG1 3.48Å; N618-I622 PolarHBondContact O-N 3.05Å
619E27.8Very low32.5Very low139 Ų139105.9 Ų105.965%0.6554%0.543SS*.Hα-helixtrans-66.5-34.3175.7-69.6-165.515200113.2Q617 I622Q617-E619 PolarHBondContact O-N 3.31Å; E619-I622 PolarHBondContact O-N 3.3Å
620K32.4Very low33.9Very low107 Ų107100.5 Ų100.547%0.46552%0.517SS..Hα-helixtrans-65.4-43.2175.7-86.2-167176.5-171.30111.5Q617 N618 I622 S623 D1019Q617-K620 PolarHBondContact O-N 3.41Å; N618-K620 PolarHBondContact O-N 3.46Å; K620-I622 PolarHBondContact O-N 2.96Å; K620-S623 WeakPolarHBondContact O-CB 3.44Å; K620-S623 PolarHBondContact O-N 3.17Å; K620-S623 PolarHBondContact O-OG 3.39Å; K620-D1019 IonicContact NZ-OD1 3.32Å; K620-D1019 PolarHBondContact NZ-OD1 3.35Å; K620-D1019 IonicContact NZ-OD2 3.44Å; K620-D1019 PolarHBondContact NZ-OD2 2.74Å
621S34.7Very low35.5Very low61 Ų6197 Ų9743%0.42749%0.491SS..Hα-helixtrans-57.3-39.1179.1-58.70000112N618 S623 R1011N618-S621 PolarHBondContact O-N 3.3Å; S621-S623 VanDerWaalsContact C-N 3.27Å; S621-S623 PolarHBondContact O-N 3.21Å; S621-R1011 PolarHBondContact O-NH1 3.47Å
622I33.3Very low37.4Very low88 Ų8893 Ų9345%0.45148%0.475SS..Hα-helixtrans-64.1-25.6-175.7-69.7165.5000113.5N618 E619 K620 H624 S625 V626N618-I622 WeakPolarHBondContact O-CD1 3.38Å; N618-I622 WeakPolarHBondContact O-CG1 3.48Å; N618-I622 PolarHBondContact O-N 3.05Å; E619-I622 PolarHBondContact O-N 3.3Å; K620-I622 PolarHBondContact O-N 2.96Å; I622-H624 CarbonylContact O-C 3.53Å; I622-H624 PolarHBondContact O-N 2.86Å; I622-S625 WeakPolarHBondContact CA-OG 3.1Å; I622-S625 CarbonylContact O-C 3.57Å; I622-S625 PolarHBondContact O-N 3.31Å; I622-V626 HydrophobicContact CG2-CG2 3.79Å; I622-V626 WeakPolarHBondContact O-CG2 3.41Å; I622-V626 PolarHBondContact O-N 3.15Å
623S32.6Very low39.5Very low71 Ų7188.9 Ų88.950%0.49747%0.467SS..Hα-helixtrans-54.6-19.4-175.959.80000117.3K620 S621 R1011K620-S623 WeakPolarHBondContact O-CB 3.44Å; K620-S623 PolarHBondContact O-N 3.17Å; K620-S623 PolarHBondContact O-OG 3.39Å; S621-S623 VanDerWaalsContact C-N 3.27Å; S621-S623 PolarHBondContact O-N 3.21Å; S623-R1011 PolarHBondContact OG-NH2 3.4Å
624H36.8Very low41.6Very low87 Ų8785 Ų8540%0.40344%0.443SS..Hα-helixtrans-116.4-22.3166-90.619.7000112.9I622 V626I622-H624 CarbonylContact O-C 3.53Å; I622-H624 PolarHBondContact O-N 2.86Å; H624-V626 VanDerWaalsContact C-N 3.26Å; H624-V626 PolarHBondContact O-N 3.24Å
625S34.4Very low43.4Very low44 Ų4481 Ų8131%0.30842%0.422SS..Hα-helixtrans-78.90.417574.50000115I622 N627 I628 G629I622-S625 WeakPolarHBondContact CA-OG 3.1Å; I622-S625 CarbonylContact O-C 3.57Å; I622-S625 PolarHBondContact O-N 3.31Å; S625-N627 VanDerWaalsContact C-N 3.3Å; S625-N627 PolarHBondContact O-N 3.16Å; S625-I628 PolarHBondContact O-N 3.43Å; S625-G629 PolarHBondContact O-N 2.81Å
626V37.2Very low45.8Very low84 Ų8483 Ų8351%0.50942%0.422SS..Hα-helixtrans-54.3-46.5168.8-176.80000111.1I622 H624 S630I622-V626 HydrophobicContact CG2-CG2 3.79Å; I622-V626 WeakPolarHBondContact O-CG2 3.41Å; I622-V626 PolarHBondContact O-N 3.15Å; H624-V626 VanDerWaalsContact C-N 3.26Å; H624-V626 PolarHBondContact O-N 3.24Å; V626-S630 VanDerWaalsContact O-CB 3.25Å; V626-S630 WeakPolarHBondContact O-CB 3.41Å; V626-S630 PolarHBondContact O-N 3.4Å; V626-S630 VanDerWaalsContact O-N 3.13Å; V626-S630 PolarHBondContact O-OG 3.13Å
627N40.2Very low48.3Very low61 Ų6179.4 Ų79.433%0.32642%0.422SS..Hα-helixtrans-68.3-51.1179.7-71.1-29.7000111.2S625 S630 F631 N699S625-N627 VanDerWaalsContact C-N 3.3Å; S625-N627 PolarHBondContact O-N 3.16Å; N627-S630 PolarHBondContact O-N 3.49Å; N627-S630 PolarHBondContact O-OG 2.66Å; N627-F631 PolarHBondContact O-N 3.47Å; N627-N699 VanDerWaalsContact CG-ND2 3.28Å; N627-N699 PolarHBondContact ND2-ND2 2.95Å; N627-N699 PolarHBondContact OD1-ND2 3.35Å
628I45.4Very low50.7Low59 Ų5978.8 Ų78.830%0.30342%0.417SS..Hα-helixtrans-53.1-56.3179.4-64.9178.2000111.3S625 S630 F631 V632 F1206S625-I628 PolarHBondContact O-N 3.43Å; I628-S630 PolarHBondContact O-N 3.39Å; I628-F631 PolarHBondContact O-N 3.03Å; I628-V632 PolarHBondContact O-N 3.1Å; I628-F1206 HydrophobicContact CB-CD1 4.25Å; I628-F1206 HydrophobicContact CB-CE1 4.5Å; I628-F1206 HydrophobicContact CB-CG 4.37Å; I628-F1206 HydrophobicContact CD1-CD2 4.41Å; I628-F1206 HydrophobicContact CG1-CD2 4.29Å; I628-F1206 HydrophobicContact CG1-CG 4.29Å; I628-F1206 HydrophobicContact CG2-CD1 3.4Å; I628-F1206 VanDerWaalsContact CG2-CD1 3.4Å; I628-F1206 HydrophobicContact CG2-CD2 3.93Å; I628-F1206 HydrophobicContact CG2-CE1 3.25Å; I628-F1206 HydrophobicContact CG2-CE2 3.78Å; I628-F1206 HydrophobicContact CG2-CG 3.78Å; I628-F1206 HydrophobicContact CG2-CZ 3.46Å; I628-F1206 VanDerWaalsContact CG2-CZ 3.46Å
629G46.5Very low53.2Low27 Ų2778 Ų7828%0.27842%0.418SS..Hα-helixtrans-65.6-36179.200000113.1S625 F631 L633S625-G629 PolarHBondContact O-N 2.81Å; G629-F631 PolarHBondContact O-N 3.34Å; G629-L633 VanDerWaalsContact O-CB 3.25Å; G629-L633 WeakPolarHBondContact O-CB 3.45Å; G629-L633 WeakPolarHBondContact O-CG 3.49Å; G629-L633 PolarHBondContact O-N 2.75Å
630S55.1Low55.7Low41 Ų4176.5 Ų76.529%0.28741%0.411SS..Hα-helixtrans-64.6-26.4176.7790000113.3V626 N627 I628 R634 N700V626-S630 VanDerWaalsContact O-CB 3.25Å; V626-S630 WeakPolarHBondContact O-CB 3.41Å; V626-S630 PolarHBondContact O-N 3.4Å; V626-S630 VanDerWaalsContact O-N 3.13Å; V626-S630 PolarHBondContact O-OG 3.13Å; N627-S630 PolarHBondContact O-N 3.49Å; N627-S630 PolarHBondContact O-OG 2.66Å; I628-S630 PolarHBondContact O-N 3.39Å; S630-R634 WeakPolarHBondContact O-CB 3.21Å; S630-R634 PolarHBondContact O-N 3.21Å; S630-R634 PolarHBondContact O-NH2 3.08Å; S630-N700 PolarHBondContact OG-ND2 2.93Å
631F62.7Low58.1Low15 Ų1572 Ų727%0.06639%0.391CS..Hα-helixtrans-83.4-47.9177.3-178.1-111.1000112.2N627 I628 G629 L633 R634 R635 E1205 E1208N627-F631 PolarHBondContact O-N 3.47Å; I628-F631 PolarHBondContact O-N 3.03Å; G629-F631 PolarHBondContact O-N 3.34Å; F631-L633 VanDerWaalsContact C-N 3.28Å; F631-L633 PolarHBondContact O-N 3.26Å; F631-R634 CarbonylContact O-C 3.59Å; F631-R634 WeakPolarHBondContact O-CA 3.4Å; F631-R634 WeakPolarHBondContact O-CB 3.21Å; F631-R634 PolarHBondContact O-N 3.28Å; F631-R635 VanDerWaalsContact CE1-NH2 3.32Å; F631-R635 VanDerWaalsContact CZ-NH2 3.33Å; F631-R635 PolarHBondContact O-N 3.03Å; F631-E1205 WeakPolarHBondContact CD1-O 3.48Å; F631-E1205 WeakPolarHBondContact CE1-O 3.44Å; F631-E1208 HydrophobicContact CE1-CB 4.35Å; F631-E1208 HydrophobicContact CE2-CB 3.56Å; F631-E1208 HydrophobicContact CE2-CG 3.73Å; F631-E1208 WeakPolarHBondContact CE2-OE2 3.31Å; F631-E1208 HydrophobicContact CZ-CB 3.46Å; F631-E1208 VanDerWaalsContact CZ-CB 3.46Å; F631-E1208 HydrophobicContact CZ-CG 3.77Å
632V66.1Low60.4Low48 Ų4871 Ų7129%0.29138%0.38SS..Hα-helixtrans-58-42.6175.3178.50000111.1I628 R634 R636 E1205 F1206I628-V632 PolarHBondContact O-N 3.1Å; V632-R634 VanDerWaalsContact C-N 3.35Å; V632-R634 PolarHBondContact O-N 3.14Å; V632-R636 WeakPolarHBondContact O-CB 3.34Å; V632-R636 PolarHBondContact O-N 2.96Å; V632-E1205 HydrophobicContact CG2-CB 4.22Å; V632-F1206 HydrophobicContact CG2-CD1 3.81Å; V632-F1206 HydrophobicContact CG2-CE1 3.75Å
633L72.1Confident62.9Low123 Ų12370.4 Ų70.464%0.64438%0.378SS*.Hα-helixtrans-64.5-36173.9-70.5171.4000112.5G629 F631 A637G629-L633 VanDerWaalsContact O-CB 3.25Å; G629-L633 WeakPolarHBondContact O-CB 3.45Å; G629-L633 WeakPolarHBondContact O-CG 3.49Å; G629-L633 PolarHBondContact O-N 2.75Å; F631-L633 VanDerWaalsContact C-N 3.28Å; F631-L633 PolarHBondContact O-N 3.26Å; L633-A637 VanDerWaalsContact O-CB 3.29Å; L633-A637 WeakPolarHBondContact O-CB 3.38Å; L633-A637 PolarHBondContact O-N 3.39Å
634R73.7Confident65.5Low44 Ų4471.5 Ų71.517%0.16638%0.375CS..Hα-helixtrans-68.4-49175-170.5-173.9-43.6124.553.7112S630 F631 V632 R636 A637 K638 L641 N700S630-R634 WeakPolarHBondContact O-CB 3.21Å; S630-R634 PolarHBondContact O-N 3.21Å; S630-R634 PolarHBondContact O-NH2 3.08Å; F631-R634 CarbonylContact O-C 3.59Å; F631-R634 WeakPolarHBondContact O-CA 3.4Å; F631-R634 WeakPolarHBondContact O-CB 3.21Å; F631-R634 PolarHBondContact O-N 3.28Å; V632-R634 VanDerWaalsContact C-N 3.35Å; V632-R634 PolarHBondContact O-N 3.14Å; R634-R636 PolarHBondContact O-N 3.16Å; R634-A637 CarbonylContact O-C 3.57Å; R634-A637 WeakPolarHBondContact O-CA 3.08Å; R634-A637 PolarHBondContact O-N 3.46Å; R634-K638 PolarHBondContact O-N 2.89Å; R634-L641 HydrophobicContact CG-CD2 3.85Å; R634-N700 VanDerWaalsContact CZ-CB 3.49Å; R634-N700 PolarHBondContact NH1-OD1 3.05Å; R634-N700 PolarHBondContact NH2-ND2 3.15Å; R634-N700 VanDerWaalsContact NH2-ND2 3.14Å; R634-N700 PolarHBondContact NH2-OD1 3.04Å
635R70Confident68Low60 Ų6070.7 Ų70.723%0.22637%0.372CS..Hα-helixtrans-58.3-36.8177.4-171.4-174.2-82.3135.8-6.8110.5F631 K638 P639 E642 E1205 I1207F631-R635 VanDerWaalsContact CE1-NH2 3.32Å; F631-R635 VanDerWaalsContact CZ-NH2 3.33Å; F631-R635 PolarHBondContact O-N 3.03Å; R635-K638 CarbonylContact O-C 3.59Å; R635-P639 WeakPolarHBondContact O-CA 3.49Å; R635-E642 IonicContact CZ-OE1 3.74Å; R635-E642 VanDerWaalsContact CZ-OE1 3.23Å; R635-E642 IonicContact NE-OE1 3.73Å; R635-E642 PolarHBondContact NE-OE1 2.69Å; R635-E642 IonicContact NH2-OE1 3.06Å; R635-E642 PolarHBondContact NH2-OE1 3.15Å; R635-E1205 PolarHBondContact NH1-O 3.09Å; R635-I1207 PolarHBondContact NH2-O 3.46Å
636R75.8Confident70.6Confident195 Ų19570 Ų7074%0.73636%0.363SS*.Hα-helixtrans-69.9-32173.2-165.9172.9-173.9128.70.5113.9V632 R634V632-R636 WeakPolarHBondContact O-CB 3.34Å; V632-R636 PolarHBondContact O-N 2.96Å; R634-R636 PolarHBondContact O-N 3.16Å
637A80.3Confident73Confident80 Ų8070.3 Ų70.366%0.66136%0.358SS*.Hα-helixtrans-82.2-23.6176.200000113.8L633 R634L633-A637 VanDerWaalsContact O-CB 3.29Å; L633-A637 WeakPolarHBondContact O-CB 3.38Å; L633-A637 PolarHBondContact O-N 3.39Å; R634-A637 CarbonylContact O-C 3.57Å; R634-A637 WeakPolarHBondContact O-CA 3.08Å; R634-A637 PolarHBondContact O-N 3.46Å
638K79.9Confident75.3Confident115 Ų11567.9 Ų67.950%0.535%0.345SS..  trans-146.380.8-179.8-65.4-167.8174-163.90110R634 R635 E640 L641R634-K638 PolarHBondContact O-N 2.89Å; R635-K638 CarbonylContact O-C 3.59Å; K638-E640 VanDerWaalsContact C-N 3.3Å; K638-E640 PolarHBondContact O-N 3.01Å; K638-L641 HydrophobicContact CB-CB 3.97Å; K638-L641 HydrophobicContact CD-CD1 4.05Å; K638-L641 WeakPolarHBondContact O-CB 3.39Å; K638-L641 PolarHBondContact O-N 3.32Å
639P79.7Confident77.4Confident90 Ų9065.2 Ų65.258%0.58433%0.331SS*.G310 helixtrans-66.2-32.2-179.224.9-33.6000112.8R635 L641R635-P639 WeakPolarHBondContact O-CA 3.49Å; P639-L641 VanDerWaalsContact C-N 3.25Å; P639-L641 PolarHBondContact O-N 3.11Å
640E81.3Confident79.5Confident107 Ų10764.1 Ų64.150%0.532%0.319SS..G310 helixtrans-79.32.2178.7-59.9-56.2148.800114.2K638 E642 N643 E644K638-E640 VanDerWaalsContact C-N 3.3Å; K638-E640 PolarHBondContact O-N 3.01Å; E640-E642 PolarHBondContact O-N 2.84Å; E640-N643 CarbonylContact O-C 3.53Å; E640-N643 WeakPolarHBondContact O-CA 3.41Å; E640-N643 WeakPolarHBondContact O-CB 3.48Å; E640-N643 PolarHBondContact O-N 3.01Å; E640-N643 PolarHBondContact OE2-ND2 3.44Å; E640-E644 PolarHBondContact O-N 3.27Å
641L82.5Confident81.2Confident11 Ų1162.1 Ų62.16%0.05831%0.306CS..G310 helixtrans-60.2-33.2-173.9-172.965.3000113.3R634 K638 P639 N643 E644 H646R634-L641 HydrophobicContact CG-CD2 3.85Å; K638-L641 HydrophobicContact CB-CB 3.97Å; K638-L641 HydrophobicContact CD-CD1 4.05Å; K638-L641 WeakPolarHBondContact O-CB 3.39Å; K638-L641 PolarHBondContact O-N 3.32Å; P639-L641 VanDerWaalsContact C-N 3.25Å; P639-L641 PolarHBondContact O-N 3.11Å; L641-N643 PolarHBondContact O-N 3.08Å; L641-E644 PolarHBondContact O-N 2.99Å; L641-H646 HydrophobicContact CD1-CB 3.91Å; L641-H646 PolarHBondContact O-CE1 2.98Å; L641-H646 PolarHBondContact O-ND1 3.22Å
642E82.5Confident82.5Confident41 Ų4166 Ų6619%0.19232%0.32CS..G310 helixtrans-70.7-16.3176.2-61.7-179.3-155.700112.4R635 E640 I917 E1208R635-E642 IonicContact CZ-OE1 3.74Å; R635-E642 VanDerWaalsContact CZ-OE1 3.23Å; R635-E642 IonicContact NE-OE1 3.73Å; R635-E642 PolarHBondContact NE-OE1 2.69Å; R635-E642 IonicContact NH2-OE1 3.06Å; R635-E642 PolarHBondContact NH2-OE1 3.15Å; E640-E642 PolarHBondContact O-N 2.84Å; E642-I917 PolarHBondContact O-N 3.47Å; E642-E1208 HydrophobicContact CG-CG 4.08Å
643N86.8Confident83.8Confident76 Ų7663.8 Ų63.841%0.40631%0.306SS..G310 helixtrans-99.2-4.1176.7-63.7-34.3000113.2E640 L641 P916E640-N643 CarbonylContact O-C 3.53Å; E640-N643 WeakPolarHBondContact O-CA 3.41Å; E640-N643 WeakPolarHBondContact O-CB 3.48Å; E640-N643 PolarHBondContact O-N 3.01Å; E640-N643 PolarHBondContact OE2-ND2 3.44Å; L641-N643 PolarHBondContact O-N 3.08Å; N643-P916 WeakPolarHBondContact O-CB 3.35Å; N643-P916 WeakPolarHBondContact O-CG 3.3Å
644E86.4Confident84.8Confident93 Ų9358.6 Ų58.644%0.43528%0.28SS..SBendtrans-112.8143.8-177.8-71.6-179.4175.100111.5E640 L641 H646E640-E644 PolarHBondContact O-N 3.27Å; L641-E644 PolarHBondContact O-N 2.99Å; E644-H646 PolarHBondContact O-N 3.01Å; E644-H646 PolarHBondContact O-ND1 3.38Å
645Q88.9Confident85.8Confident71 Ų7156.5 Ų56.533%0.33227%0.272SS..  trans-68.1124.9167.7-169.3-174.117.900109.1I914 L915Q645-I914 VanDerWaalsContact CA-O 3.27Å; Q645-I914 WeakPolarHBondContact CA-O 3.46Å; Q645-I914 VanDerWaalsContact CG-O 3.28Å; Q645-I914 WeakPolarHBondContact CG-O 3.44Å; Q645-L915 HydrophobicContact CG-CD2 4.23Å
646H89Confident86.9Confident28 Ų2854.7 Ų54.713%0.1327%0.266CS..EExtended strand (participates in β ladder)trans-146.9169.8178.870.5-83.8000112.1L641 E644 I914 E1208L641-H646 HydrophobicContact CD1-CB 3.91Å; L641-H646 PolarHBondContact O-CE1 2.98Å; L641-H646 PolarHBondContact O-ND1 3.22Å; E644-H646 PolarHBondContact O-N 3.01Å; E644-H646 PolarHBondContact O-ND1 3.38Å; H646-I914 PolarHBondContact N-O 3.13Å; H646-I914 WeakPolarHBondContact NE2-CD1 3.41Å; H646-I914 PolarHBondContact O-N 3.35Å; H646-E1208 IonicContact CE1-OE1 2.74Å; H646-E1208 IonicContact NE2-OE1 3.09Å
647K87.9Confident87.7Confident92 Ų9247.5 Ų47.540%0.424%0.241SC..EExtended strand (participates in β ladder)trans-107.7128.5173-57.3-159.8169-117.70109.3D741 T911 V912 D913K647-D741 IonicContact NZ-OD2 3.13Å; K647-T911 HydrophobicContact CB-CG2 4.31Å; K647-T911 HydrophobicContact CD-CG2 3.92Å; K647-V912 WeakPolarHBondContact CA-O 3.26Å; K647-D913 WeakPolarHBondContact CD-OD1 3.46Å; K647-D913 WeakPolarHBondContact CE-OD1 3.46Å; K647-D913 WeakPolarHBondContact CG-OD1 3.27Å; K647-D913 VanDerWaalsContact NZ-CG 3.29Å; K647-D913 IonicContact NZ-OD1 3.91Å; K647-D913 PolarHBondContact NZ-OD1 3.12Å; K647-D913 IonicContact NZ-OD2 3.67Å; K647-D913 PolarHBondContact NZ-OD2 3.46Å; K647-D913 VanDerWaalsContact NZ-OD2 3.13Å
648D88.9Confident88.4Confident10 Ų1043.7 Ų43.75%0.05321%0.21CC..EExtended strand (participates in β ladder)trans-93.9139.1160.8-177.140.1000110N700 T911 V912 I914 Y1211D648-N700 WeakPolarHBondContact OD1-CA 3.43Å; D648-N700 PolarHBondContact OD1-OD1 2.87Å; D648-T911 CarbonylContact O-C 3.49Å; D648-T911 WeakPolarHBondContact O-CA 3.21Å; D648-V912 PolarHBondContact N-O 3.46Å; D648-V912 PolarHBondContact O-N 3.33Å; D648-I914 HydrophobicContact CB-CD1 3.8Å; D648-Y1211 HydrophobicContact CB-CD2 4.14Å; D648-Y1211 HydrophobicContact CB-CE2 4.34Å; D648-Y1211 VanDerWaalsContact OD2-CE2 3.23Å; D648-Y1211 WeakPolarHBondContact OD2-CE2 3.46Å
649V89.9Confident89.1Confident2 Ų240.9 Ų40.91%0.01220%0.198CC..EExtended strand (participates in β ladder)trans-128.6120.1-175.8-175.70000108.6N700 L701 I704 Y909 T911V649-N700 PolarHBondContact O-N 3.06Å; V649-L701 HydrophobicContact CB-CB 4.18Å; V649-L701 HydrophobicContact CG1-CB 4.12Å; V649-L701 PolarHBondContact O-N 2.77Å; V649-I704 HydrophobicContact CG1-CG1 4.44Å; V649-Y909 HydrophobicContact CG1-CE2 3.54Å; V649-T911 HydrophobicContact CG2-CG2 4.35Å
650S89.7Confident89.7Confident4 Ų439.9 Ų39.93%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-127.6146.3-178.962.90000112.1N699 Y909 Q910S650-N699 WeakPolarHBondContact CB-OD1 3Å; S650-Y909 WeakPolarHBondContact O-CA 3.36Å; S650-Q910 PolarHBondContact N-O 2.97Å; S650-Q910 PolarHBondContact O-N 2.89Å; S650-Q910 PolarHBondContact OG-O 3.46Å
651L91.5Very high90.1Very high0 Ų035.7 Ų35.70%017%0.168CC..EExtended strand (participates in β ladder)trans-143.2106.2-177.1178.558.5000109.9I653 L673 L698 L701 I704 M707 L739 I907 H908 Y909L651-I653 HydrophobicContact CD1-CD1 4.42Å; L651-I653 HydrophobicContact CD1-CG1 4.02Å; L651-I653 HydrophobicContact CD2-CD1 3.94Å; L651-I653 HydrophobicContact CD2-CG1 4.43Å; L651-I653 HydrophobicContact CG-CD1 3.87Å; L651-I653 HydrophobicContact CG-CG1 3.84Å; L651-L673 HydrophobicContact CD2-CD1 4.02Å; L651-L673 HydrophobicContact CD2-CD2 3.46Å; L651-L673 VanDerWaalsContact CD2-CD2 3.46Å; L651-L673 HydrophobicContact CD2-CG 4.41Å; L651-L698 HydrophobicContact CB-CB 4.44Å; L651-L698 PolarHBondContact N-O 2.85Å; L651-L698 WeakPolarHBondContact O-CB 3.31Å; L651-L698 PolarHBondContact O-N 3.41Å; L651-L701 HydrophobicContact CB-CD1 3.59Å; L651-L701 HydrophobicContact CD2-CD1 4.37Å; L651-I704 HydrophobicContact CD2-CD1 3.98Å; L651-M707 HydrophobicContact CD2-SD 4.09Å; L651-L739 HydrophobicContact CD2-CD1 4.05Å; L651-I907 HydrophobicContact CD1-CG2 3.74Å; L651-H908 WeakPolarHBondContact CA-O 3.47Å; L651-Y909 HydrophobicContact CB-CD2 4.4Å; L651-Y909 HydrophobicContact CD1-CD2 4.24Å
652R90.6Very high90.3Very high97 Ų9738 Ų3837%0.36619%0.185SC..EExtended strand (participates in β ladder)trans-99.6127.4173.7-58.6-174.7-70.7-155.6-5.2109.7F696 D697 I907 H908R652-F696 WeakPolarHBondContact CA-O 3.4Å; R652-D697 WeakPolarHBondContact CB-OD1 3.21Å; R652-D697 HydrophobicContact CG-CB 4.21Å; R652-D697 VanDerWaalsContact CG-OD1 3.25Å; R652-D697 WeakPolarHBondContact CG-OD1 3.3Å; R652-I907 CarbonylContact O-C 3.52Å; R652-I907 WeakPolarHBondContact O-CA 3.46Å; R652-H908 HydrophobicContact CB-CB 4.34Å; R652-H908 PolarHBondContact N-O 2.81Å; R652-H908 PolarHBondContact NH2-CE1 3.18Å; R652-H908 VanDerWaalsContact NH2-CE1 3.29Å; R652-H908 PolarHBondContact NH2-ND1 3.03Å; R652-H908 PolarHBondContact O-N 2.99Å
653I92.8Very high90.2Very high0 Ų039.1 Ų39.10%020%0.202CC..EExtended strand (participates in β ladder)trans-130.7127.4-174.2-53161.2000109.1L651 I655 I671 Q695 F696 L698 M707 M906L651-I653 HydrophobicContact CD1-CD1 4.42Å; L651-I653 HydrophobicContact CD1-CG1 4.02Å; L651-I653 HydrophobicContact CD2-CD1 3.94Å; L651-I653 HydrophobicContact CD2-CG1 4.43Å; L651-I653 HydrophobicContact CG-CD1 3.87Å; L651-I653 HydrophobicContact CG-CG1 3.84Å; I653-I655 HydrophobicContact CG2-CD1 3.72Å; I653-I655 HydrophobicContact CG2-CG1 4.23Å; I653-I671 HydrophobicContact CD1-CD1 4.17Å; I653-I671 HydrophobicContact CD1-CG2 3.64Å; I653-I671 HydrophobicContact CG2-CD1 4.22Å; I653-Q695 CarbonylContact O-C 3.59Å; I653-Q695 WeakPolarHBondContact O-CA 3.42Å; I653-F696 PolarHBondContact N-O 3.35Å; I653-F696 PolarHBondContact O-N 3.06Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; I653-M707 HydrophobicContact CD1-SD 3.42Å; I653-M707 WeakPolarHBondContact CD1-SD 3.28Å; I653-M707 HydrophobicContact CG1-SD 4.05Å; I653-M906 CarbonylContact C-O 3.54Å; I653-M906 WeakPolarHBondContact CA-O 3.37Å
654S92.5Very high89.9Confident14 Ų1443.6 Ų43.610%0.09822%0.218CC..EExtended strand (participates in β ladder)trans-111.9113.4167.8-179.20000110.1Q656 E694 M905 M906S654-Q656 PolarHBondContact O-N 3.31Å; S654-E694 CarbonylContact C-O 3.57Å; S654-E694 WeakPolarHBondContact CA-O 3.38Å; S654-M905 CarbonylContact O-C 3.55Å; S654-M905 WeakPolarHBondContact O-CA 3.32Å; S654-M905 VanDerWaalsContact O-CB 3.31Å; S654-M905 WeakPolarHBondContact O-CB 3.43Å; S654-M906 PolarHBondContact N-O 3.27Å; S654-M906 PolarHBondContact O-N 2.88Å
655I94.7Very high89.9Confident0 Ų039.8 Ų39.80%020%0.203CC..EExtended strand (participates in β ladder)trans-87.1103.6173.8-55.7-60.1000108.2I653 C669 I671 T681 W692 G693 E694 F696 I709 L903 M905I653-I655 HydrophobicContact CG2-CD1 3.72Å; I653-I655 HydrophobicContact CG2-CG1 4.23Å; I655-C669 HydrophobicContact CG2-CB 4.47Å; I655-I671 HydrophobicContact CD1-CD1 4.27Å; I655-I671 HydrophobicContact CG1-CD1 4Å; I655-T681 HydrophobicContact CB-CG2 3.98Å; I655-T681 HydrophobicContact CG1-CG2 4.1Å; I655-T681 HydrophobicContact CG2-CG2 3.92Å; I655-W692 HydrophobicContact CG2-CD2 4.39Å; I655-W692 HydrophobicContact CG2-CE3 3.83Å; I655-W692 HydrophobicContact CG2-CZ3 4.35Å; I655-W692 WeakPolarHBondContact O-CB 3.25Å; I655-G693 PolarHBondContact O-N 3.2Å; I655-E694 PolarHBondContact N-O 3.07Å; I655-E694 PolarHBondContact O-N 2.7Å; I655-E694 VanDerWaalsContact O-N 3.11Å; I655-F696 HydrophobicContact CB-CE2 4.46Å; I655-F696 HydrophobicContact CG1-CD2 4.29Å; I655-F696 HydrophobicContact CG1-CE2 3.94Å; I655-I709 HydrophobicContact CD1-CD1 3.85Å; I655-I709 HydrophobicContact CD1-CG2 4.43Å; I655-L903 HydrophobicContact CG2-CD1 4.18Å; I655-M905 HydrophobicContact CD1-CB 4.21Å
656Q92.6Very high90.1Very high22 Ų2242.4 Ų42.410%0.10321%0.21CC..EExtended strand (participates in β ladder)trans-88.7-69.7-170.2-63.5-172.8-19.700112S654 F691 W692 G693 R904 M906S654-Q656 PolarHBondContact O-N 3.31Å; Q656-F691 CarbonylContact O-C 3.21Å; Q656-F691 WeakPolarHBondContact O-CA 3.32Å; Q656-W692 PolarHBondContact O-N 3.46Å; Q656-G693 PolarHBondContact O-N 3.32Å; Q656-G693 VanDerWaalsContact O-N 3.13Å; Q656-R904 HydrophobicContact CB-CB 4.45Å; Q656-R904 WeakPolarHBondContact CB-O 3.41Å; Q656-R904 PolarHBondContact N-O 3.28Å; Q656-M906 VanDerWaalsContact NE2-CG 3.3Å; Q656-M906 PolarHBondContact NE2-SD 3.41Å
657E93.9Very high90.4Very high45 Ų4541.3 Ų41.321%0.2121%0.205CC..EExtended strand (participates in β ladder)trans-155156.2-176.569-173.1-144.900113.2V690 F691 W751 L903 R904E657-V690 CarbonylContact C-O 3.47Å; E657-V690 WeakPolarHBondContact CA-O 3.44Å; E657-V690 VanDerWaalsContact CB-O 3.3Å; E657-V690 WeakPolarHBondContact CB-O 3.43Å; E657-F691 HydrophobicContact CB-CB 4.21Å; E657-F691 HydrophobicContact CB-CD2 3.93Å; E657-F691 HydrophobicContact CB-CG 4.48Å; E657-W751 HydrophobicContact CG-CH2 3.64Å; E657-W751 HydrophobicContact CG-CZ2 4.23Å; E657-W751 HydrophobicContact CG-CZ3 4.29Å; E657-W751 WeakPolarHBondContact OE1-CH2 3.39Å; E657-W751 VanDerWaalsContact OE1-CZ2 3.23Å; E657-W751 WeakPolarHBondContact OE1-CZ2 3.05Å; E657-L903 CarbonylContact O-C 3.59Å; E657-R904 HydrophobicContact CG-CB 4.09Å; E657-R904 PolarHBondContact N-O 3.32Å; E657-R904 PolarHBondContact O-N 3.32Å; E657-R904 IonicContact OE1-CZ 2.83Å; E657-R904 IonicContact OE1-NH1 2.71Å; E657-R904 PolarHBondContact OE1-NH1 2.72Å; E657-R904 IonicContact OE1-NH2 3.23Å; E657-R904 IonicContact OE2-CZ 3.87Å; E657-R904 VanDerWaalsContact OE2-CZ 3.23Å; E657-R904 IonicContact OE2-NH1 3.54Å; E657-R904 PolarHBondContact OE2-NH1 3.4Å; E657-R904 VanDerWaalsContact OE2-NH1 3.09Å; E657-R904 IonicContact OE2-NH2 2.81Å; E657-R904 PolarHBondContact OE2-NH2 3.25Å
658V95.2Very high90.8Very high0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-122.3147.4170.963.60000110.4L661 T689 V690 W692 L711 P901 Q902 L903V658-L661 HydrophobicContact CB-CD1 4.49Å; V658-L661 HydrophobicContact CG1-CD1 3.41Å; V658-L661 VanDerWaalsContact CG1-CD1 3.41Å; V658-L661 HydrophobicContact CG1-CG 4.01Å; V658-L661 HydrophobicContact CG2-CD1 4.28Å; V658-L661 HydrophobicContact CG2-CD2 3.94Å; V658-L661 HydrophobicContact CG2-CG 4.08Å; V658-T689 CarbonylContact O-C 3.52Å; V658-T689 VanDerWaalsContact O-CA 3.3Å; V658-T689 WeakPolarHBondContact O-CA 3.46Å; V658-V690 HydrophobicContact CG1-CB 3.83Å; V658-V690 HydrophobicContact CG1-CG2 4.49Å; V658-V690 PolarHBondContact N-O 2.75Å; V658-V690 PolarHBondContact O-N 3.01Å; V658-W692 HydrophobicContact CB-CH2 4.23Å; V658-W692 HydrophobicContact CB-CZ3 3.85Å; V658-W692 HydrophobicContact CG1-CH2 3.4Å; V658-W692 HydrophobicContact CG1-CZ3 3.39Å; V658-L711 HydrophobicContact CG2-CD2 4.25Å; V658-P901 HydrophobicContact CG2-CB 4.35Å; V658-Q902 CarbonylContact C-O 3.44Å; V658-Q902 VanDerWaalsContact CA-O 3.25Å; V658-Q902 WeakPolarHBondContact CA-O 3.22Å; V658-Q902 WeakPolarHBondContact CG2-O 3.4Å; V658-L903 HydrophobicContact CB-CD1 3.92Å
659K94.2Very high91.2Very high56 Ų5636.5 Ų36.524%0.24318%0.183CC..EExtended strand (participates in β ladder)trans-130.6172.5175.769-174.9173.9-172.80111.2L661 T689 W751 P901 Q902K659-L661 VanDerWaalsContact C-N 3.32Å; K659-T689 HydrophobicContact CB-CG2 3.63Å; K659-W751 HydrophobicContact CB-CH2 4.46Å; K659-W751 HydrophobicContact CB-CZ3 4.42Å; K659-W751 HydrophobicContact CD-CE3 4.32Å; K659-W751 HydrophobicContact CD-CH2 3.64Å; K659-W751 HydrophobicContact CD-CZ2 4.31Å; K659-W751 HydrophobicContact CD-CZ3 3.66Å; K659-W751 HydrophobicContact CG-CH2 4.06Å; K659-W751 HydrophobicContact CG-CZ3 3.74Å; K659-P901 WeakPolarHBondContact O-CA 3.26Å; K659-Q902 HydrophobicContact CG-CB 4.04Å; K659-Q902 PolarHBondContact N-O 3.06Å; K659-Q902 PolarHBondContact O-N 3.45Å; K659-Q902 VanDerWaalsContact O-N 3.12Å
660N92.2Very high91.5Very high69 Ų6937.6 Ų37.637%0.36919%0.188SC..SBendtrans63.535.2-173.9-56.1-15.1000112.6G688 N898 L900N660-G688 PolarHBondContact N-O 3.17Å; N660-N898 PolarHBondContact ND2-O 3.5Å; N660-L900 WeakPolarHBondContact CB-O 3.22Å; N660-L900 PolarHBondContact ND2-O 2.83Å
661L89.8Confident91.9Very high19 Ų1937.4 Ų37.410%0.09919%0.187CC..  trans-91.5165.1172.9-62.7-167.4000111.9V658 K659 Y667 G688 V690 L711 P901V658-L661 HydrophobicContact CB-CD1 4.49Å; V658-L661 HydrophobicContact CG1-CD1 3.41Å; V658-L661 VanDerWaalsContact CG1-CD1 3.41Å; V658-L661 HydrophobicContact CG1-CG 4.01Å; V658-L661 HydrophobicContact CG2-CD1 4.28Å; V658-L661 HydrophobicContact CG2-CD2 3.94Å; V658-L661 HydrophobicContact CG2-CG 4.08Å; K659-L661 VanDerWaalsContact C-N 3.32Å; L661-Y667 HydrophobicContact CB-CE1 4.48Å; L661-Y667 HydrophobicContact CB-CE2 4.42Å; L661-Y667 HydrophobicContact CD1-CD1 3.69Å; L661-Y667 HydrophobicContact CD1-CD2 3.9Å; L661-Y667 HydrophobicContact CD1-CE1 3.86Å; L661-Y667 HydrophobicContact CD1-CE2 4.1Å; L661-Y667 HydrophobicContact CD1-CG 3.68Å; L661-Y667 HydrophobicContact CD2-CE1 4.17Å; L661-Y667 HydrophobicContact CG-CE1 4.41Å; L661-G688 PolarHBondContact N-O 2.82Å; L661-G688 VanDerWaalsContact N-O 3.1Å; L661-G688 WeakPolarHBondContact O-CA 3.32Å; L661-V690 HydrophobicContact CD1-CG2 3.99Å; L661-L711 HydrophobicContact CD2-CD2 3.69Å; L661-P901 HydrophobicContact CD2-CB 3.93Å; L661-P901 HydrophobicContact CD2-CG 4.07Å
662S86.6Confident92.1Very high58 Ų5837.8 Ų37.841%0.40619%0.19SC..  trans-76.3140.716686.90000109.7K664 Y667 S686S662-K664 PolarHBondContact O-N 3.22Å; S662-Y667 PolarHBondContact N-OH 2.97Å; S662-Y667 PolarHBondContact O-OH 3.12Å; S662-Y667 PolarHBondContact OG-OH 2.89Å; S662-S686 WeakPolarHBondContact O-CB 3.23Å; S662-S686 PolarHBondContact O-OG 3.42Å
663A80.7Confident92.3Very high66 Ų6633.3 Ų33.355%0.54517%0.173SC..SBendtrans-76.116.7176.900000113.8S686A663-S686 CarbonylContact C-O 3.49Å; A663-S686 VanDerWaalsContact CA-O 3.32Å; A663-S686 WeakPolarHBondContact CA-O 3.21Å
664K80Confident92.3Very high170 Ų17036.2 Ų36.274%0.73919%0.188SC*.SBendtrans-117.782.8-176.6-69.8-170.2178-1750110.9S662 R713S662-K664 PolarHBondContact O-N 3.22Å; K664-R713 VanDerWaalsContact O-CZ 3.23Å; K664-R713 PolarHBondContact O-NE 3.39Å; K664-R713 PolarHBondContact O-NH2 3.32Å
665G86.9Confident92.1Very high13 Ų1345.9 Ų45.913%0.13422%0.223CC..SBendtrans136.2-180167.400000114.7S686G665-S686 PolarHBondContact O-N 3.42Å; G665-S686 VanDerWaalsContact O-N 3.09Å
666R92.4Very high92.1Very high126 Ų12649.8 Ų49.848%0.47525%0.247SC..EExtended strand (participates in β ladder)trans-94.1149171.5-73.1-178.5136.61100.1110.8S683 K684 L685 R713 Q714R666-S683 WeakPolarHBondContact CD-O 3.45Å; R666-S683 PolarHBondContact NE-O 3.09Å; R666-K684 CarbonylContact C-O 3.51Å; R666-K684 WeakPolarHBondContact CA-O 3.48Å; R666-L685 HydrophobicContact CG-CD2 3.55Å; R666-L685 HydrophobicContact CG-CG 3.79Å; R666-R713 CarbonylContact O-C 3.59Å; R666-R713 WeakPolarHBondContact O-CA 3.24Å; R666-Q714 HydrophobicContact CB-CB 3.9Å; R666-Q714 PolarHBondContact O-N 3.42Å
667Y95.8Very high92.2Very high4 Ų453 Ų532%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-132.5150.8179.6-66.4-102.4000111L661 S662 S683 K684 S686 V690 L711 F712 R713 I732L661-Y667 HydrophobicContact CB-CE1 4.48Å; L661-Y667 HydrophobicContact CB-CE2 4.42Å; L661-Y667 HydrophobicContact CD1-CD1 3.69Å; L661-Y667 HydrophobicContact CD1-CD2 3.9Å; L661-Y667 HydrophobicContact CD1-CE1 3.86Å; L661-Y667 HydrophobicContact CD1-CE2 4.1Å; L661-Y667 HydrophobicContact CD1-CG 3.68Å; L661-Y667 HydrophobicContact CD2-CE1 4.17Å; L661-Y667 HydrophobicContact CG-CE1 4.41Å; S662-Y667 PolarHBondContact N-OH 2.97Å; S662-Y667 PolarHBondContact O-OH 3.12Å; S662-Y667 PolarHBondContact OG-OH 2.89Å; Y667-S683 WeakPolarHBondContact O-CA 3.36Å; Y667-K684 PolarHBondContact N-O 2.95Å; Y667-K684 PolarHBondContact O-N 2.84Å; Y667-S686 VanDerWaalsContact CE2-CB 3.42Å; Y667-V690 HydrophobicContact CD2-CG2 4.44Å; Y667-L711 HydrophobicContact CD1-CD1 4.24Å; Y667-L711 HydrophobicContact CD1-CG 4.42Å; Y667-F712 WeakPolarHBondContact CA-O 3.34Å; Y667-R713 HydrophobicContact CD1-CB 3.86Å; Y667-R713 HydrophobicContact CD1-CG 4.4Å; Y667-R713 HydrophobicContact CE1-CB 3.69Å; Y667-R713 HydrophobicContact CE1-CG 4.04Å; Y667-R713 HydrophobicContact CE2-CG 4.38Å; Y667-I732 HydrophobicContact CD1-CG1 4.34Å; Y667-I732 HydrophobicContact CE1-CD1 4.31Å; Y667-I732 HydrophobicContact CE1-CG1 4Å
668F96.2Very high92.2Very high1 Ų155 Ų550%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-147.3158.6173.164.7-92.5000110.4E670 R680 T681 S683 F712 Q714 N729F668-E670 HydrophobicContact CD2-CG 4.27Å; F668-E670 HydrophobicContact CE2-CG 3.95Å; F668-R680 HydrophobicContact CD2-CG 3.58Å; F668-R680 HydrophobicContact CE2-CG 4.1Å; F668-R680 HydrophobicContact CG-CG 4.39Å; F668-T681 WeakPolarHBondContact CA-OG1 3.48Å; F668-S683 WeakPolarHBondContact CD1-OG 3.15Å; F668-F712 HydrophobicContact CD1-CB 4.19Å; F668-F712 HydrophobicContact CD2-CB 4.1Å; F668-F712 HydrophobicContact CD2-CD2 4.3Å; F668-F712 HydrophobicContact CE1-CB 3.66Å; F668-F712 HydrophobicContact CE2-CB 3.57Å; F668-F712 AromaticContact CE2-CD2 3.6Å; F668-F712 HydrophobicContact CE2-CD2 3.6Å; F668-F712 AromaticContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CG-CB 4.39Å; F668-F712 HydrophobicContact CZ-CB 3.32Å; F668-F712 HydrophobicContact CZ-CD2 4.05Å; F668-F712 AromaticContact CZ-CG 3.76Å; F668-F712 HydrophobicContact CZ-CG 3.76Å; F668-F712 PolarHBondContact N-O 3.01Å; F668-F712 PolarHBondContact O-N 3.27Å; F668-Q714 VanDerWaalsContact CD1-OE1 3.32Å; F668-N729 HydrophobicContact CE1-CB 4.19Å; F668-N729 HydrophobicContact CZ-CB 4.04Å; F668-N729 WeakPolarHBondContact CZ-ND2 3.47Å
669C97.2Very high92.2Very high0 Ų055.8 Ų55.80%028%0.277CS..EExtended strand (participates in β ladder)trans-108.5145.1173.4-67.90000110.6I655 R680 T681 I709 N710I655-C669 HydrophobicContact CG2-CB 4.47Å; C669-R680 CarbonylContact O-C 3.48Å; C669-R680 VanDerWaalsContact O-CA 3.28Å; C669-R680 WeakPolarHBondContact O-CA 3.5Å; C669-R680 WeakPolarHBondContact O-CG 3.25Å; C669-T681 HydrophobicContact CB-CG2 3.92Å; C669-T681 PolarHBondContact N-OG1 3.1Å; C669-T681 PolarHBondContact O-N 3.47Å; C669-I709 HydrophobicContact CB-CG2 4.05Å; C669-N710 CarbonylContact C-O 3.54Å; C669-N710 VanDerWaalsContact CA-O 3.26Å; C669-N710 WeakPolarHBondContact CA-O 3.5Å
670E97Very high92.2Very high25 Ų2559.5 Ų59.512%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-111.3135.1167.6-78.3179.3179.500109.5F668 L677 R680 I709 N710 F712F668-E670 HydrophobicContact CD2-CG 4.27Å; F668-E670 HydrophobicContact CE2-CG 3.95Å; E670-L677 HydrophobicContact CB-CD1 3.65Å; E670-L677 HydrophobicContact CG-CD1 3.82Å; E670-R680 HydrophobicContact CG-CB 4.22Å; E670-R680 HydrophobicContact CG-CG 3.81Å; E670-R680 IonicContact OE1-CZ 2.87Å; E670-R680 IonicContact OE1-NE 2.72Å; E670-R680 PolarHBondContact OE1-NE 2.91Å; E670-R680 IonicContact OE1-NH2 2.71Å; E670-R680 PolarHBondContact OE1-NH2 3.35Å; E670-I709 CarbonylContact O-C 3.47Å; E670-I709 VanDerWaalsContact O-CA 3.27Å; E670-I709 WeakPolarHBondContact O-CA 3.27Å; E670-N710 HydrophobicContact CB-CB 4.24Å; E670-N710 PolarHBondContact N-O 2.7Å; E670-N710 PolarHBondContact O-N 2.82Å; E670-F712 HydrophobicContact CB-CE2 4.2Å; E670-F712 HydrophobicContact CG-CD2 4.25Å; E670-F712 HydrophobicContact CG-CE2 4.08Å; E670-F712 VanDerWaalsContact OE2-CE2 3.22Å; E670-F712 WeakPolarHBondContact OE2-CE2 3.25Å
671I96.7Very high92.4Very high0 Ų056.5 Ų56.50%027%0.274CS..EExtended strand (participates in β ladder)trans-105.3114.1179.1-57.7176.4000107.6I653 I655 Y678 A679 F696 M707 I709I653-I671 HydrophobicContact CD1-CD1 4.17Å; I653-I671 HydrophobicContact CD1-CG2 3.64Å; I653-I671 HydrophobicContact CG2-CD1 4.22Å; I655-I671 HydrophobicContact CD1-CD1 4.27Å; I655-I671 HydrophobicContact CG1-CD1 4Å; I671-Y678 PolarHBondContact O-N 2.92Å; I671-A679 HydrophobicContact CB-CB 4.22Å; I671-A679 HydrophobicContact CD1-CB 4.17Å; I671-A679 PolarHBondContact N-O 2.95Å; I671-A679 PolarHBondContact O-N 3.06Å; I671-F696 HydrophobicContact CD1-CB 4.37Å; I671-F696 HydrophobicContact CD1-CD2 3.37Å; I671-F696 HydrophobicContact CD1-CE2 3.73Å; I671-F696 HydrophobicContact CD1-CG 3.85Å; I671-F696 HydrophobicContact CD1-CZ 4.46Å; I671-M707 HydrophobicContact CG2-SD 4.31Å; I671-I709 HydrophobicContact CG1-CG1 4.34Å
672C95.6Very high92.5Very high9 Ų959.1 Ų59.16%0.06129%0.29CS..EExtended strand (participates in β ladder)trans-114.4136.1177.6-57.40000111.4T676 M707 T708C672-T676 CarbonylContact C-O 3.59Å; C672-T676 WeakPolarHBondContact CA-O 3.32Å; C672-T676 WeakPolarHBondContact CB-O 3.19Å; C672-M707 CarbonylContact O-C 3.57Å; C672-M707 WeakPolarHBondContact O-CA 3.33Å; C672-T708 PolarHBondContact N-O 2.95Å; C672-T708 PolarHBondContact O-N 3.28Å
673L94.4Very high92.8Very high2 Ų258.2 Ų58.21%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-114.2126.2173.2-47.9178.2000108.1L651 R675 T676 Y678 L698 L701 I704 M707L651-L673 HydrophobicContact CD2-CD1 4.02Å; L651-L673 HydrophobicContact CD2-CD2 3.46Å; L651-L673 VanDerWaalsContact CD2-CD2 3.46Å; L651-L673 HydrophobicContact CD2-CG 4.41Å; L673-R675 PolarHBondContact O-N 3.36Å; L673-T676 PolarHBondContact N-O 2.98Å; L673-T676 WeakPolarHBondContact O-CB 3.34Å; L673-T676 PolarHBondContact O-N 3.29Å; L673-Y678 HydrophobicContact CB-CD2 3.71Å; L673-Y678 HydrophobicContact CB-CE2 3.7Å; L673-Y678 HydrophobicContact CD1-CD1 4.05Å; L673-Y678 HydrophobicContact CD1-CD2 3.72Å; L673-Y678 HydrophobicContact CD1-CE1 4.23Å; L673-Y678 HydrophobicContact CD1-CE2 3.92Å; L673-Y678 HydrophobicContact CD1-CG 3.79Å; L673-Y678 HydrophobicContact CG-CD2 3.61Å; L673-Y678 HydrophobicContact CG-CE2 4.02Å; L673-Y678 HydrophobicContact CG-CG 4.02Å; L673-L698 HydrophobicContact CD1-CD1 3.97Å; L673-L701 HydrophobicContact CD1-CD1 3.88Å; L673-L701 HydrophobicContact CD1-CD2 3.88Å; L673-I704 HydrophobicContact CB-CG2 4.14Å; L673-I704 HydrophobicContact CD1-CD1 3.95Å; L673-I704 HydrophobicContact CD2-CD1 4.36Å; L673-M707 HydrophobicContact CD2-CB 3.89Å; L673-M707 HydrophobicContact CD2-CG 3.79Å; L673-M707 HydrophobicContact CD2-SD 4.22Å
674D92.8Very high93.3Very high61 Ų6157.4 Ų57.433%0.32627%0.268SS..THydrogen-bonded Turntrans44.241.7-171.2-68.4-23.6000113.4T676 I704 S705 I706D674-T676 PolarHBondContact O-N 2.87Å; D674-I704 VanDerWaalsContact OD2-CA 3.31Å; D674-I704 WeakPolarHBondContact OD2-CA 3.41Å; D674-S705 PolarHBondContact OD1-N 2.83Å; D674-S705 VanDerWaalsContact OD1-N 3.08Å; D674-S705 PolarHBondContact OD1-OG 3.27Å; D674-S705 PolarHBondContact OD2-N 3.5Å; D674-I706 PolarHBondContact N-O 3.48Å; D674-I706 WeakPolarHBondContact OD1-CG1 3.27Å; D674-I706 PolarHBondContact OD1-N 2.97Å
675R89.4Confident93.8Very high217 Ų21754.9 Ų54.982%0.81926%0.262SS*.THydrogen-bonded Turntrans71.3-0.8-177.9-44.7174.7-175.6-164.60.2115.9L673L673-R675 PolarHBondContact O-N 3.36Å
676T94.1Very high93.9Very high83 Ų8354.7 Ų54.751%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-85133172-57.30000110C672 L673 D674 Y678C672-T676 CarbonylContact C-O 3.59Å; C672-T676 WeakPolarHBondContact CA-O 3.32Å; C672-T676 WeakPolarHBondContact CB-O 3.19Å; L673-T676 PolarHBondContact N-O 2.98Å; L673-T676 WeakPolarHBondContact O-CB 3.34Å; L673-T676 PolarHBondContact O-N 3.29Å; D674-T676 PolarHBondContact O-N 2.87Å; T676-Y678 HydrophobicContact CG2-CD2 4.35Å; T676-Y678 HydrophobicContact CG2-CE2 3.97Å; T676-Y678 WeakPolarHBondContact O-CD2 3.26Å
677L95.2Very high93.6Very high88 Ų8853.3 Ų53.346%0.46126%0.261SS..EExtended strand (participates in β ladder)trans-75123.9177.9178.666.9000110.7E670 A679E670-L677 HydrophobicContact CB-CD1 3.65Å; E670-L677 HydrophobicContact CG-CD1 3.82Å; L677-A679 WeakPolarHBondContact CD1-O 3.38Å
678Y94.1Very high93.2Very high89 Ų8954 Ų5435%0.34927%0.27SS..EExtended strand (participates in β ladder)trans-109-35.7177.6-86.5-100.5000113.4I671 L673 T676 L698 L701I671-Y678 PolarHBondContact O-N 2.92Å; L673-Y678 HydrophobicContact CB-CD2 3.71Å; L673-Y678 HydrophobicContact CB-CE2 3.7Å; L673-Y678 HydrophobicContact CD1-CD1 4.05Å; L673-Y678 HydrophobicContact CD1-CD2 3.72Å; L673-Y678 HydrophobicContact CD1-CE1 4.23Å; L673-Y678 HydrophobicContact CD1-CE2 3.92Å; L673-Y678 HydrophobicContact CD1-CG 3.79Å; L673-Y678 HydrophobicContact CG-CD2 3.61Å; L673-Y678 HydrophobicContact CG-CE2 4.02Å; L673-Y678 HydrophobicContact CG-CG 4.02Å; T676-Y678 HydrophobicContact CG2-CD2 4.35Å; T676-Y678 HydrophobicContact CG2-CE2 3.97Å; T676-Y678 WeakPolarHBondContact O-CD2 3.26Å; Y678-L698 HydrophobicContact CD1-CD1 4.36Å; Y678-L698 HydrophobicContact CG-CD1 4.4Å; Y678-L701 HydrophobicContact CD1-CD2 4.03Å; Y678-L701 HydrophobicContact CE1-CD2 3.44Å; Y678-L701 VanDerWaalsContact CE1-CD2 3.44Å
679A94.7Very high92.9Very high16 Ų1656.6 Ų56.613%0.13229%0.285CS..EExtended strand (participates in β ladder)trans-151.6161.5-178.100000112.7I671 L677 F696I671-A679 HydrophobicContact CB-CB 4.22Å; I671-A679 HydrophobicContact CD1-CB 4.17Å; I671-A679 PolarHBondContact N-O 2.95Å; I671-A679 PolarHBondContact O-N 3.06Å; L677-A679 WeakPolarHBondContact CD1-O 3.38Å; A679-F696 HydrophobicContact CB-CD1 3.51Å; A679-F696 HydrophobicContact CB-CE1 3.82Å; A679-F696 HydrophobicContact CB-CG 4.07Å
680R95.2Very high92.7Very high134 Ų13456.9 Ų56.951%0.50629%0.287SS..EExtended strand (participates in β ladder)trans-140.9139.4174.6-172.7-168.4-77.9150.7-4.1109.6F668 C669 E670F668-R680 HydrophobicContact CD2-CG 3.58Å; F668-R680 HydrophobicContact CE2-CG 4.1Å; F668-R680 HydrophobicContact CG-CG 4.39Å; C669-R680 CarbonylContact O-C 3.48Å; C669-R680 VanDerWaalsContact O-CA 3.28Å; C669-R680 WeakPolarHBondContact O-CA 3.5Å; C669-R680 WeakPolarHBondContact O-CG 3.25Å; E670-R680 HydrophobicContact CG-CB 4.22Å; E670-R680 HydrophobicContact CG-CG 3.81Å; E670-R680 IonicContact OE1-CZ 2.87Å; E670-R680 IonicContact OE1-NE 2.72Å; E670-R680 PolarHBondContact OE1-NE 2.91Å; E670-R680 IonicContact OE1-NH2 2.71Å; E670-R680 PolarHBondContact OE1-NH2 3.35Å
681T95.1Very high92.5Very high6 Ų661 Ų614%0.03731%0.305CS..  trans-77.8166.1174.470.70000112.6I655 F668 C669 W692 E694 F696I655-T681 HydrophobicContact CB-CG2 3.98Å; I655-T681 HydrophobicContact CG1-CG2 4.1Å; I655-T681 HydrophobicContact CG2-CG2 3.92Å; F668-T681 WeakPolarHBondContact CA-OG1 3.48Å; C669-T681 HydrophobicContact CB-CG2 3.92Å; C669-T681 PolarHBondContact N-OG1 3.1Å; C669-T681 PolarHBondContact O-N 3.47Å; T681-W692 HydrophobicContact CG2-CG 4.4Å; T681-W692 PolarHBondContact OG1-NE1 3.1Å; T681-E694 WeakPolarHBondContact CA-OE2 3.35Å; T681-E694 WeakPolarHBondContact CB-OE2 3.31Å; T681-F696 HydrophobicContact CG2-CE2 3.94Å; T681-F696 HydrophobicContact CG2-CZ 3.9Å
682T91.9Very high92.3Very high73 Ų7361.4 Ų61.445%0.44831%0.307SS..  trans-64.2158.4170.470.10000112.6K684 W692 E694T682-K684 VanDerWaalsContact OG1-CE 3.26Å; T682-K684 WeakPolarHBondContact OG1-CE 3.48Å; T682-W692 PolarHBondContact O-NE1 3.17Å; T682-E694 WeakPolarHBondContact CB-OE1 3.31Å; T682-E694 WeakPolarHBondContact CG2-OE1 3.5Å; T682-E694 PolarHBondContact N-OE1 3.06Å; T682-E694 PolarHBondContact N-OE2 3.04Å; T682-E694 PolarHBondContact OG1-OE1 3.07Å
683S92.4Very high91.8Very high39 Ų3962.6 Ų62.627%0.27332%0.32SS..  trans-94.995.7-178.4-720000112.8R666 Y667 F668 Q714R666-S683 WeakPolarHBondContact CD-O 3.45Å; R666-S683 PolarHBondContact NE-O 3.09Å; Y667-S683 WeakPolarHBondContact O-CA 3.36Å; F668-S683 WeakPolarHBondContact CD1-OG 3.15Å; S683-Q714 PolarHBondContact OG-OE1 3.39Å
684K91.9Very high91.6Very high50 Ų5064.2 Ų64.222%0.21733%0.328CS..EExtended strand (participates in β ladder)trans-102.4146.3-173.4-63.7-169.5-176.5-165.50112.7R666 Y667 T682 V690 F691 W692R666-K684 CarbonylContact C-O 3.51Å; R666-K684 WeakPolarHBondContact CA-O 3.48Å; Y667-K684 PolarHBondContact N-O 2.95Å; Y667-K684 PolarHBondContact O-N 2.84Å; T682-K684 VanDerWaalsContact OG1-CE 3.26Å; T682-K684 WeakPolarHBondContact OG1-CE 3.48Å; K684-V690 HydrophobicContact CB-CG1 3.64Å; K684-V690 HydrophobicContact CD-CG1 4.48Å; K684-F691 WeakPolarHBondContact CD-O 3.41Å; K684-F691 PolarHBondContact NZ-O 3.49Å; K684-W692 HydrophobicContact CD-CG 4.4Å; K684-W692 PolarHBondContact NZ-O 3Å
685L90.5Very high91.5Very high116 Ų11667.1 Ų67.161%0.60734%0.34SS*.EExtended strand (participates in β ladder)trans-70.5142.8177.3-75.3165.6000110.8R666R666-L685 HydrophobicContact CG-CD2 3.55Å; R666-L685 HydrophobicContact CG-CG 3.79Å
686S88.7Confident91.6Very high10 Ų1058.4 Ų58.47%0.0731%0.308CS..PPolyproline II helixtrans-100.8130.7178.7168.70000112.3S662 A663 G665 Y667 G688S662-S686 WeakPolarHBondContact O-CB 3.23Å; S662-S686 PolarHBondContact O-OG 3.42Å; A663-S686 CarbonylContact C-O 3.49Å; A663-S686 VanDerWaalsContact CA-O 3.32Å; A663-S686 WeakPolarHBondContact CA-O 3.21Å; G665-S686 PolarHBondContact O-N 3.42Å; G665-S686 VanDerWaalsContact O-N 3.09Å; Y667-S686 VanDerWaalsContact CE2-CB 3.42Å; S686-G688 PolarHBondContact OG-N 2.85Å
687D86.4Confident91.3Very high96 Ų9657.2 Ų57.251%0.51330%0.298SS..SBendtrans-97.39.8165.278.5-25.4000112.5T689D687-T689 PolarHBondContact N-O 3.18Å; D687-T689 WeakPolarHBondContact OD1-CA 3.33Å; D687-T689 WeakPolarHBondContact OD1-CB 3.31Å; D687-T689 PolarHBondContact OD1-N 3.46Å; D687-T689 PolarHBondContact OD1-OG1 3.16Å
688G87.4Confident91.1Very high20 Ų2054.4 Ų54.421%0.20628%0.283CS..SBendtrans109.3-21.6-161.400000112.4N660 L661 S686N660-G688 PolarHBondContact N-O 3.17Å; L661-G688 PolarHBondContact N-O 2.82Å; L661-G688 VanDerWaalsContact N-O 3.1Å; L661-G688 WeakPolarHBondContact O-CA 3.32Å; S686-G688 PolarHBondContact OG-N 2.85Å
689T90.9Very high90.7Very high54 Ų5452.5 Ų52.533%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-127155.9169.236.80000110.8V658 K659 D687V658-T689 CarbonylContact O-C 3.52Å; V658-T689 VanDerWaalsContact O-CA 3.3Å; V658-T689 WeakPolarHBondContact O-CA 3.46Å; K659-T689 HydrophobicContact CB-CG2 3.63Å; D687-T689 PolarHBondContact N-O 3.18Å; D687-T689 WeakPolarHBondContact OD1-CA 3.33Å; D687-T689 WeakPolarHBondContact OD1-CB 3.31Å; D687-T689 PolarHBondContact OD1-N 3.46Å; D687-T689 PolarHBondContact OD1-OG1 3.16Å
690V92.2Very high90.1Very high6 Ų654 Ų544%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-139.7127.2170.71760000108.6E657 V658 L661 Y667 K684 W692E657-V690 CarbonylContact C-O 3.47Å; E657-V690 WeakPolarHBondContact CA-O 3.44Å; E657-V690 VanDerWaalsContact CB-O 3.3Å; E657-V690 WeakPolarHBondContact CB-O 3.43Å; V658-V690 HydrophobicContact CG1-CB 3.83Å; V658-V690 HydrophobicContact CG1-CG2 4.49Å; V658-V690 PolarHBondContact N-O 2.75Å; V658-V690 PolarHBondContact O-N 3.01Å; L661-V690 HydrophobicContact CD1-CG2 3.99Å; Y667-V690 HydrophobicContact CD2-CG2 4.44Å; K684-V690 HydrophobicContact CB-CG1 3.64Å; K684-V690 HydrophobicContact CD-CG1 4.48Å; V690-W692 HydrophobicContact CB-CH2 4.3Å; V690-W692 HydrophobicContact CB-CZ2 4.34Å; V690-W692 HydrophobicContact CG1-CD2 3.95Å; V690-W692 HydrophobicContact CG1-CE3 4.27Å; V690-W692 HydrophobicContact CG1-CH2 4.03Å; V690-W692 HydrophobicContact CG1-CZ2 3.64Å; V690-W692 HydrophobicContact CG1-CZ3 4.33Å
691F92.5Very high89.7Confident113 Ų11348.4 Ų48.450%0.49627%0.265SS..EExtended strand (participates in β ladder)trans-109.3116.9174.4179.7-84.1000109.9Q656 E657 K684Q656-F691 CarbonylContact O-C 3.21Å; Q656-F691 WeakPolarHBondContact O-CA 3.32Å; E657-F691 HydrophobicContact CB-CB 4.21Å; E657-F691 HydrophobicContact CB-CD2 3.93Å; E657-F691 HydrophobicContact CB-CG 4.48Å; K684-F691 WeakPolarHBondContact CD-O 3.41Å; K684-F691 PolarHBondContact NZ-O 3.49Å
692W92.4Very high89.3Confident8 Ų851.8 Ų51.83%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-88.6-60.9172.2-67.7-80.8000110.5I655 Q656 V658 T681 T682 K684 V690 E694 L711 L903I655-W692 HydrophobicContact CG2-CD2 4.39Å; I655-W692 HydrophobicContact CG2-CE3 3.83Å; I655-W692 HydrophobicContact CG2-CZ3 4.35Å; I655-W692 WeakPolarHBondContact O-CB 3.25Å; Q656-W692 PolarHBondContact O-N 3.46Å; V658-W692 HydrophobicContact CB-CH2 4.23Å; V658-W692 HydrophobicContact CB-CZ3 3.85Å; V658-W692 HydrophobicContact CG1-CH2 3.4Å; V658-W692 HydrophobicContact CG1-CZ3 3.39Å; T681-W692 HydrophobicContact CG2-CG 4.4Å; T681-W692 PolarHBondContact OG1-NE1 3.1Å; T682-W692 PolarHBondContact O-NE1 3.17Å; K684-W692 HydrophobicContact CD-CG 4.4Å; K684-W692 PolarHBondContact NZ-O 3Å; V690-W692 HydrophobicContact CB-CH2 4.3Å; V690-W692 HydrophobicContact CB-CZ2 4.34Å; V690-W692 HydrophobicContact CG1-CD2 3.95Å; V690-W692 HydrophobicContact CG1-CE3 4.27Å; V690-W692 HydrophobicContact CG1-CH2 4.03Å; V690-W692 HydrophobicContact CG1-CZ2 3.64Å; V690-W692 HydrophobicContact CG1-CZ3 4.33Å; W692-E694 VanDerWaalsContact C-N 3.25Å; W692-E694 HydrophobicContact CB-CB 4.32Å; W692-E694 HydrophobicContact CB-CG 4.08Å; W692-L711 HydrophobicContact CH2-CD1 3.85Å; W692-L711 HydrophobicContact CZ2-CD1 4.48Å; W692-L903 HydrophobicContact CZ3-CD1 3.95Å
693G86.9Confident88.9Confident34 Ų3454.2 Ų54.235%0.35130%0.296SS..EExtended strand (participates in β ladder)trans70.921.6-172.400000113.1I655 Q656I655-G693 PolarHBondContact O-N 3.2Å; Q656-G693 PolarHBondContact O-N 3.32Å; Q656-G693 VanDerWaalsContact O-N 3.13Å
694E90.3Very high88.7Confident36 Ų3652.7 Ų52.717%0.16829%0.285CS..EExtended strand (participates in β ladder)trans-90.5136.8-171.9-71.1167.1-144.500110.6S654 I655 T681 T682 W692 F696S654-E694 CarbonylContact C-O 3.57Å; S654-E694 WeakPolarHBondContact CA-O 3.38Å; I655-E694 PolarHBondContact N-O 3.07Å; I655-E694 PolarHBondContact O-N 2.7Å; I655-E694 VanDerWaalsContact O-N 3.11Å; T681-E694 WeakPolarHBondContact CA-OE2 3.35Å; T681-E694 WeakPolarHBondContact CB-OE2 3.31Å; T682-E694 WeakPolarHBondContact CB-OE1 3.31Å; T682-E694 WeakPolarHBondContact CG2-OE1 3.5Å; T682-E694 PolarHBondContact N-OE1 3.06Å; T682-E694 PolarHBondContact N-OE2 3.04Å; T682-E694 PolarHBondContact OG1-OE1 3.07Å; W692-E694 VanDerWaalsContact C-N 3.25Å; W692-E694 HydrophobicContact CB-CB 4.32Å; W692-E694 HydrophobicContact CB-CG 4.08Å; E694-F696 HydrophobicContact CB-CE2 4.03Å; E694-F696 HydrophobicContact CB-CZ 4.08Å
695Q89.2Confident88.5Confident122 Ų12253.4 Ų53.457%0.5730%0.296SS*.EExtended strand (participates in β ladder)trans-112.1141.8179.3-179174.5-25.600110.7I653 D697I653-Q695 CarbonylContact O-C 3.59Å; I653-Q695 WeakPolarHBondContact O-CA 3.42Å; Q695-D697 PolarHBondContact NE2-OD1 3.13Å; Q695-D697 PolarHBondContact NE2-OD2 3.19Å; Q695-D697 VanDerWaalsContact NE2-OD2 3.14Å
696F92Very high88.6Confident34 Ų3450.1 Ų50.115%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-131.1112.9178.3-54-84.6000108R652 I653 I655 I671 A679 T681 E694R652-F696 WeakPolarHBondContact CA-O 3.4Å; I653-F696 PolarHBondContact N-O 3.35Å; I653-F696 PolarHBondContact O-N 3.06Å; I655-F696 HydrophobicContact CB-CE2 4.46Å; I655-F696 HydrophobicContact CG1-CD2 4.29Å; I655-F696 HydrophobicContact CG1-CE2 3.94Å; I671-F696 HydrophobicContact CD1-CB 4.37Å; I671-F696 HydrophobicContact CD1-CD2 3.37Å; I671-F696 HydrophobicContact CD1-CE2 3.73Å; I671-F696 HydrophobicContact CD1-CG 3.85Å; I671-F696 HydrophobicContact CD1-CZ 4.46Å; A679-F696 HydrophobicContact CB-CD1 3.51Å; A679-F696 HydrophobicContact CB-CE1 3.82Å; A679-F696 HydrophobicContact CB-CG 4.07Å; T681-F696 HydrophobicContact CG2-CE2 3.94Å; T681-F696 HydrophobicContact CG2-CZ 3.9Å; E694-F696 HydrophobicContact CB-CE2 4.03Å; E694-F696 HydrophobicContact CB-CZ 4.08Å
697D88.8Confident88.8Confident58 Ų5849.7 Ų49.731%0.3128%0.276SS..EExtended strand (participates in β ladder)trans-101.2105.6175-66.6-18.6000108.2R652 Q695R652-D697 WeakPolarHBondContact CB-OD1 3.21Å; R652-D697 HydrophobicContact CG-CB 4.21Å; R652-D697 VanDerWaalsContact CG-OD1 3.25Å; R652-D697 WeakPolarHBondContact CG-OD1 3.3Å; Q695-D697 PolarHBondContact NE2-OD1 3.13Å; Q695-D697 PolarHBondContact NE2-OD2 3.19Å; Q695-D697 VanDerWaalsContact NE2-OD2 3.14Å
698L90.4Very high89.2Confident28 Ų2846 Ų4615%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-106.491.2-178.3-56.9177.5000108.4L651 I653 L673 Y678 L701L651-L698 HydrophobicContact CB-CB 4.44Å; L651-L698 PolarHBondContact N-O 2.85Å; L651-L698 WeakPolarHBondContact O-CB 3.31Å; L651-L698 PolarHBondContact O-N 3.41Å; I653-L698 HydrophobicContact CD1-CD1 4.3Å; L673-L698 HydrophobicContact CD1-CD1 3.97Å; Y678-L698 HydrophobicContact CD1-CD1 4.36Å; Y678-L698 HydrophobicContact CG-CD1 4.4Å; L698-L701 HydrophobicContact CB-CD1 3.9Å; L698-L701 HydrophobicContact CB-CD2 4.25Å; L698-L701 HydrophobicContact CB-CG 4.35Å; L698-L701 VanDerWaalsContact O-CD1 3.29Å; L698-L701 WeakPolarHBondContact O-CD1 3.48Å
699N85.9Confident89.7Confident49 Ų4945 Ų4526%0.26225%0.247SC..  trans-90.8165.1177.3-61.4-48.6000111N627 S650 L701N627-N699 VanDerWaalsContact CG-ND2 3.28Å; N627-N699 PolarHBondContact ND2-ND2 2.95Å; N627-N699 PolarHBondContact OD1-ND2 3.35Å; S650-N699 WeakPolarHBondContact CB-OD1 3Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.9Å
700N81.3Confident90Very high48 Ų4843.8 Ų43.826%0.25724%0.238SC..SBendtrans62.136.1168-43.8-61.7000113.8S630 R634 D648 V649S630-N700 PolarHBondContact OG-ND2 2.93Å; R634-N700 VanDerWaalsContact CZ-CB 3.49Å; R634-N700 PolarHBondContact NH1-OD1 3.05Å; R634-N700 PolarHBondContact NH2-ND2 3.15Å; R634-N700 VanDerWaalsContact NH2-ND2 3.14Å; R634-N700 PolarHBondContact NH2-OD1 3.04Å; D648-N700 WeakPolarHBondContact OD1-CA 3.43Å; D648-N700 PolarHBondContact OD1-OD1 2.87Å; V649-N700 PolarHBondContact O-N 3.06Å
701L87.4Confident90.2Very high16 Ų1643.5 Ų43.58%0.08424%0.236CC..PPolyproline II helixtrans-75154.9-178-67.3168.1000110.9V649 L651 L673 Y678 L698 N699 I704V649-L701 HydrophobicContact CB-CB 4.18Å; V649-L701 HydrophobicContact CG1-CB 4.12Å; V649-L701 PolarHBondContact O-N 2.77Å; L651-L701 HydrophobicContact CB-CD1 3.59Å; L651-L701 HydrophobicContact CD2-CD1 4.37Å; L673-L701 HydrophobicContact CD1-CD1 3.88Å; L673-L701 HydrophobicContact CD1-CD2 3.88Å; Y678-L701 HydrophobicContact CD1-CD2 4.03Å; Y678-L701 HydrophobicContact CE1-CD2 3.44Å; Y678-L701 VanDerWaalsContact CE1-CD2 3.44Å; L698-L701 HydrophobicContact CB-CD1 3.9Å; L698-L701 HydrophobicContact CB-CD2 4.25Å; L698-L701 HydrophobicContact CB-CG 4.35Å; L698-L701 VanDerWaalsContact O-CD1 3.29Å; L698-L701 WeakPolarHBondContact O-CD1 3.48Å; N699-L701 VanDerWaalsContact C-N 3.3Å; N699-L701 PolarHBondContact O-N 2.9Å; L701-I704 HydrophobicContact CD1-CD1 3.86Å
702P85.4Confident90.3Very high77 Ų7739.7 Ų39.750%0.522%0.219SC..PPolyproline II helixtrans-61.7166.615930.6-35000109.7I704P702-I704 HydrophobicContact CG-CG2 4.29Å; P702-I704 PolarHBondContact O-N 3.45Å; P702-I704 VanDerWaalsContact O-N 3.15Å
703I84.2Confident90.4Very high125 Ų12542.4 Ų42.464%0.64123%0.23SC*.PPolyproline II helixtrans-58.5122.1168-58.6173.4000107.9
704I87.8Confident90.5Very high7 Ų744 Ų444%0.03623%0.228CC..  trans-120.1140.2-176.450.5178.4000110.9V649 L651 L673 D674 L701 P702 L739 Y909V649-I704 HydrophobicContact CG1-CG1 4.44Å; L651-I704 HydrophobicContact CD2-CD1 3.98Å; L673-I704 HydrophobicContact CB-CG2 4.14Å; L673-I704 HydrophobicContact CD1-CD1 3.95Å; L673-I704 HydrophobicContact CD2-CD1 4.36Å; D674-I704 VanDerWaalsContact OD2-CA 3.31Å; D674-I704 WeakPolarHBondContact OD2-CA 3.41Å; L701-I704 HydrophobicContact CD1-CD1 3.86Å; P702-I704 HydrophobicContact CG-CG2 4.29Å; P702-I704 PolarHBondContact O-N 3.45Å; P702-I704 VanDerWaalsContact O-N 3.15Å; I704-L739 HydrophobicContact CD1-CD1 3.46Å; I704-L739 VanDerWaalsContact CD1-CD1 3.46Å; I704-L739 HydrophobicContact CG1-CD1 3.84Å; I704-Y909 HydrophobicContact CD1-CE2 4.05Å; I704-Y909 HydrophobicContact CG1-CE2 3.94Å
705S88.8Confident90.3Very high65 Ų6543.4 Ų43.446%0.45523%0.23SC..  trans-101.7-34.8-175.973.70000114.1D674 L739D674-S705 PolarHBondContact OD1-N 2.83Å; D674-S705 VanDerWaalsContact OD1-N 3.08Å; D674-S705 PolarHBondContact OD1-OG 3.27Å; D674-S705 PolarHBondContact OD2-N 3.5Å; S705-L739 PolarHBondContact O-N 3.35Å
706I91.3Very high89.6Confident47 Ų4742 Ų4224%0.24123%0.229CC..EExtended strand (participates in β ladder)trans-140.1134.8-176.856.5167.2000112D674 T736D674-I706 PolarHBondContact N-O 3.48Å; D674-I706 WeakPolarHBondContact OD1-CG1 3.27Å; D674-I706 PolarHBondContact OD1-N 2.97Å; I706-T736 HydrophobicContact CB-CG2 4.34Å
707M93.8Very high88.1Confident1 Ų144.9 Ų44.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-99138.3162.8177.1171.163.600109.4L651 I653 I671 C672 L673 I709 T736 I737 L739 I907L651-M707 HydrophobicContact CD2-SD 4.09Å; I653-M707 HydrophobicContact CD1-SD 3.42Å; I653-M707 WeakPolarHBondContact CD1-SD 3.28Å; I653-M707 HydrophobicContact CG1-SD 4.05Å; I671-M707 HydrophobicContact CG2-SD 4.31Å; C672-M707 CarbonylContact O-C 3.57Å; C672-M707 WeakPolarHBondContact O-CA 3.33Å; L673-M707 HydrophobicContact CD2-CB 3.89Å; L673-M707 HydrophobicContact CD2-CG 3.79Å; L673-M707 HydrophobicContact CD2-SD 4.22Å; M707-I709 HydrophobicContact CE-CD1 4.2Å; M707-I709 HydrophobicContact CG-CG1 4.33Å; M707-I709 HydrophobicContact SD-CD1 4.23Å; M707-I709 HydrophobicContact SD-CG1 4.47Å; M707-T736 CarbonylContact O-C 3.51Å; M707-T736 WeakPolarHBondContact O-CA 3.46Å; M707-I737 HydrophobicContact CE-CB 4.38Å; M707-I737 HydrophobicContact CE-CD1 4.05Å; M707-I737 PolarHBondContact N-O 2.85Å; M707-I737 PolarHBondContact O-N 3.32Å; M707-L739 HydrophobicContact CB-CD1 4.07Å; M707-L739 HydrophobicContact CB-CG 4.34Å; M707-I907 HydrophobicContact CE-CD1 3.55Å; M707-I907 HydrophobicContact CE-CG1 3.91Å; M707-I907 HydrophobicContact CE-CG2 4.03Å
708T95.4Very high86.5Confident18 Ų1844.7 Ų44.711%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-131.4125173-62.50000110.1C672 Y734 V735 T736C672-T708 PolarHBondContact N-O 2.95Å; C672-T708 PolarHBondContact O-N 3.28Å; T708-Y734 HydrophobicContact CG2-CD2 4.24Å; T708-V735 CarbonylContact C-O 3.59Å; T708-V735 WeakPolarHBondContact CA-O 3.49Å; T708-T736 WeakPolarHBondContact OG1-CG2 3.48Å; T708-T736 PolarHBondContact OG1-OG1 2.88Å
709I96.7Very high84.7Confident0 Ų051.6 Ų51.60%028%0.283CS..EExtended strand (participates in β ladder)trans-108.1115.8177.9-62.9163.5000108.9I655 C669 E670 I671 M707 Y734 V735 L903 M905I655-I709 HydrophobicContact CD1-CD1 3.85Å; I655-I709 HydrophobicContact CD1-CG2 4.43Å; C669-I709 HydrophobicContact CB-CG2 4.05Å; E670-I709 CarbonylContact O-C 3.47Å; E670-I709 VanDerWaalsContact O-CA 3.27Å; E670-I709 WeakPolarHBondContact O-CA 3.27Å; I671-I709 HydrophobicContact CG1-CG1 4.34Å; M707-I709 HydrophobicContact CE-CD1 4.2Å; M707-I709 HydrophobicContact CG-CG1 4.33Å; M707-I709 HydrophobicContact SD-CD1 4.23Å; M707-I709 HydrophobicContact SD-CG1 4.47Å; I709-Y734 CarbonylContact O-C 3.57Å; I709-Y734 WeakPolarHBondContact O-CA 3.38Å; I709-V735 PolarHBondContact N-O 2.88Å; I709-V735 PolarHBondContact O-N 2.91Å; I709-L903 HydrophobicContact CG2-CD2 3.7Å; I709-M905 HydrophobicContact CD1-CE 3.51Å; I709-M905 HydrophobicContact CD1-SD 3.43Å; I709-M905 WeakPolarHBondContact CD1-SD 3.4Å
710N96.5Very high82.9Confident27 Ų2754.5 Ų54.514%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-101.2123.4-175.7-65.6-44.1000110.3C669 E670 F712 F731 Y734C669-N710 CarbonylContact C-O 3.54Å; C669-N710 VanDerWaalsContact CA-O 3.26Å; C669-N710 WeakPolarHBondContact CA-O 3.5Å; E670-N710 HydrophobicContact CB-CB 4.24Å; E670-N710 PolarHBondContact N-O 2.7Å; E670-N710 PolarHBondContact O-N 2.82Å; N710-F712 HydrophobicContact CB-CD2 4.26Å; N710-F712 HydrophobicContact CB-CE2 3.57Å; N710-F712 HydrophobicContact CB-CZ 4.29Å; N710-F731 HydrophobicContact CB-CD2 4.46Å; N710-F731 HydrophobicContact CB-CE2 3.75Å; N710-Y734 WeakPolarHBondContact OD1-CB 3.41Å
711L96.7Very high81.5Confident0 Ų061.5 Ų61.50%033%0.327CS..EExtended strand (participates in β ladder)trans-92.4128.6173.5175.972.5000110.6V658 L661 Y667 W692 F731 I732 G733 M754 P901V658-L711 HydrophobicContact CG2-CD2 4.25Å; L661-L711 HydrophobicContact CD2-CD2 3.69Å; Y667-L711 HydrophobicContact CD1-CD1 4.24Å; Y667-L711 HydrophobicContact CD1-CG 4.42Å; W692-L711 HydrophobicContact CH2-CD1 3.85Å; W692-L711 HydrophobicContact CZ2-CD1 4.48Å; L711-F731 WeakPolarHBondContact O-CD2 3.5Å; L711-I732 HydrophobicContact CB-CB 4.46Å; L711-I732 HydrophobicContact CD2-CB 3.94Å; L711-I732 HydrophobicContact CD2-CG2 3.71Å; L711-I732 HydrophobicContact CG-CB 4.04Å; L711-I732 HydrophobicContact CG-CG2 4.37Å; L711-I732 WeakPolarHBondContact O-CB 3.42Å; L711-I732 PolarHBondContact O-N 3.29Å; L711-G733 PolarHBondContact N-O 3.34Å; L711-M754 HydrophobicContact CB-CE 3.57Å; L711-M754 HydrophobicContact CB-SD 3.69Å; L711-M754 HydrophobicContact CD2-SD 3.71Å; L711-M754 HydrophobicContact CG-SD 4.31Å; L711-P901 HydrophobicContact CD2-CB 4.37Å
712F95.1Very high79.9Confident34 Ų3472.4 Ų72.415%0.14937%0.367CS..EExtended strand (participates in β ladder)trans-119.7150.8174.6-68.7-89.4000111.7Y667 F668 E670 N710 N729 Q730 F731Y667-F712 WeakPolarHBondContact CA-O 3.34Å; F668-F712 HydrophobicContact CD1-CB 4.19Å; F668-F712 HydrophobicContact CD2-CB 4.1Å; F668-F712 HydrophobicContact CD2-CD2 4.3Å; F668-F712 HydrophobicContact CE1-CB 3.66Å; F668-F712 HydrophobicContact CE2-CB 3.57Å; F668-F712 AromaticContact CE2-CD2 3.6Å; F668-F712 HydrophobicContact CE2-CD2 3.6Å; F668-F712 AromaticContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CE2-CG 3.79Å; F668-F712 HydrophobicContact CG-CB 4.39Å; F668-F712 HydrophobicContact CZ-CB 3.32Å; F668-F712 HydrophobicContact CZ-CD2 4.05Å; F668-F712 AromaticContact CZ-CG 3.76Å; F668-F712 HydrophobicContact CZ-CG 3.76Å; F668-F712 PolarHBondContact N-O 3.01Å; F668-F712 PolarHBondContact O-N 3.27Å; E670-F712 HydrophobicContact CB-CE2 4.2Å; E670-F712 HydrophobicContact CG-CD2 4.25Å; E670-F712 HydrophobicContact CG-CE2 4.08Å; E670-F712 VanDerWaalsContact OE2-CE2 3.22Å; E670-F712 WeakPolarHBondContact OE2-CE2 3.25Å; N710-F712 HydrophobicContact CB-CD2 4.26Å; N710-F712 HydrophobicContact CB-CE2 3.57Å; N710-F712 HydrophobicContact CB-CZ 4.29Å; F712-N729 HydrophobicContact CB-CB 4.39Å; F712-N729 HydrophobicContact CD1-CB 4.14Å; F712-Q730 CarbonylContact C-O 3.53Å; F712-Q730 WeakPolarHBondContact CA-O 3.4Å; F712-F731 HydrophobicContact CD1-CB 4.02Å; F712-F731 HydrophobicContact CD1-CD2 4.23Å; F712-F731 HydrophobicContact CE1-CB 3.73Å; F712-F731 AromaticContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CG 4.07Å; F712-F731 HydrophobicContact CE2-CD2 4.29Å; F712-F731 AromaticContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CE2 4.48Å; F712-F731 HydrophobicContact CZ-CG 4.43Å
713R93.7Very high78.2Confident65 Ų6572.9 Ų72.925%0.24536%0.363CS..EExtended strand (participates in β ladder)trans-103.5120.9164.7177.9176.6172.9-90.6-10.8108.1K664 R666 Y667 A715 Q730 I732K664-R713 VanDerWaalsContact O-CZ 3.23Å; K664-R713 PolarHBondContact O-NE 3.39Å; K664-R713 PolarHBondContact O-NH2 3.32Å; R666-R713 CarbonylContact O-C 3.59Å; R666-R713 WeakPolarHBondContact O-CA 3.24Å; Y667-R713 HydrophobicContact CD1-CB 3.86Å; Y667-R713 HydrophobicContact CD1-CG 4.4Å; Y667-R713 HydrophobicContact CE1-CB 3.69Å; Y667-R713 HydrophobicContact CE1-CG 4.04Å; Y667-R713 HydrophobicContact CE2-CG 4.38Å; R713-A715 PolarHBondContact O-N 2.74Å; R713-Q730 HydrophobicContact CB-CB 4.27Å; R713-Q730 PolarHBondContact N-O 2.83Å; R713-Q730 PolarHBondContact O-N 2.97Å; R713-I732 HydrophobicContact CB-CD1 3.76Å; R713-I732 HydrophobicContact CB-CG1 3.85Å
714Q91Very high76.5Confident66 Ų6677 Ų7731%0.30837%0.37SS..PPolyproline II helixtrans-58.9134.1-178.8-169.379.432.300110.4R666 F668 S683 T716 N729R666-Q714 HydrophobicContact CB-CB 3.9Å; R666-Q714 PolarHBondContact O-N 3.42Å; F668-Q714 VanDerWaalsContact CD1-OE1 3.32Å; S683-Q714 PolarHBondContact OG-OE1 3.39Å; Q714-T716 PolarHBondContact O-N 3.04Å; Q714-N729 WeakPolarHBondContact CA-OD1 3.44Å; Q714-N729 PolarHBondContact NE2-OD1 2.83Å
715A85.9Confident74.9Confident25 Ų2584.3 Ų84.321%0.20741%0.409CS..PPolyproline II helixtrans-63.7125.2167.500000110.5R713 S717 K726 N727 N729R713-A715 PolarHBondContact O-N 2.74Å; A715-S717 PolarHBondContact O-N 2.9Å; A715-K726 WeakPolarHBondContact CB-O 3.39Å; A715-N727 VanDerWaalsContact CB-C 3.49Å; A715-N727 WeakPolarHBondContact CB-O 3.46Å; A715-N729 PolarHBondContact N-OD1 3.03Å
716T73Confident73.3Confident91 Ų9187 Ų8756%0.55841%0.413SS*.PPolyproline II helixtrans-75.9120.2166.850.80000108.5Q714 V718Q714-T716 PolarHBondContact O-N 3.04Å; T716-V718 PolarHBondContact O-N 2.85Å
717S61.4Low71.8Confident95 Ų9589.1 Ų89.166%0.66443%0.425SS*.  trans-59.9102.9173.2-174.60000109.9A715A715-S717 PolarHBondContact O-N 2.9Å
718V54.7Low71.2Confident55 Ų5597.1 Ų97.133%0.33346%0.462SS..  trans-81.8125.3173.8-172.80000107.1T716 D720T716-V718 PolarHBondContact O-N 2.85Å; V718-D720 HydrophobicContact CG1-CB 4.08Å; V718-D720 PolarHBondContact O-N 3.03Å
719K52.7Low71Confident172 Ų17298.3 Ų98.375%0.74847%0.468SS*.SBendtrans-64.1-11.2-177.7-69.1-164.6169.2-158.60113.6D406 K721D406-K719 IonicContact OD2-NZ 2.71Å; D406-K719 PolarHBondContact OD2-NZ 3.1Å; K719-K721 PolarHBondContact O-N 2.74Å
720D48.5Very low70.7Confident110 Ų110103 Ų10359%0.58849%0.49SS*.  trans-78.3110.8178.6-68.6-41.5000114.2V718 R722 Q723V718-D720 HydrophobicContact CG1-CB 4.08Å; V718-D720 PolarHBondContact O-N 3.03Å; D720-R722 PolarHBondContact O-N 3.1Å; D720-Q723 PolarHBondContact O-N 3.28Å
721K52.2Low70.5Confident195 Ų195105.2 Ų105.285%0.84850%0.498SS*.G310 helixtrans-51.4-22.2174.5-64.6177.9-178.9174.20114.5K719 Q723K719-K721 PolarHBondContact O-N 2.74Å; K721-Q723 PolarHBondContact O-N 3.38Å
722R52.4Low70.3Confident245 Ų245107 Ų10793%0.92551%0.507SS*.G310 helixtrans-78.1-7.7-176.1-71.3-174.8174.6-179.4-1.1114.9D720D720-R722 PolarHBondContact O-N 3.1Å
723Q50.5Low70.3Confident87 Ų87105.4 Ų105.441%0.40750%0.5SS..G310 helixtrans-12343.9-178.7-62.7-1708.700113.6D720 K721 N725 K726D720-Q723 PolarHBondContact O-N 3.28Å; K721-Q723 PolarHBondContact O-N 3.38Å; Q723-N725 PolarHBondContact O-N 2.94Å; Q723-K726 HydrophobicContact CB-CD 4.34Å; Q723-K726 HydrophobicContact CB-CG 4.44Å; Q723-K726 PolarHBondContact O-N 3.42Å; Q723-K726 VanDerWaalsContact OE1-CD 3.28Å
724R49.7Very low70.4Confident211 Ų211104.2 Ų104.280%0.79650%0.496SS*.G310 helixtrans-53.1-27.4-178-148.3171.3-176.4171.4-1.3114.5K726R724-K726 VanDerWaalsContact C-N 3.26Å; R724-K726 PolarHBondContact O-N 2.9Å
725N53Low70.5Confident161 Ų161101.4 Ų101.486%0.86148%0.484SS*.G310 helixtrans-73.3-7.3176.1-68.84000114.6Q723Q723-N725 PolarHBondContact O-N 2.94Å
726K56.2Low70.9Confident122 Ų122103 Ų10353%0.5349%0.491SS..G310 helixtrans-89.71.8176.6-71.4-169.4180171.30114.6A715 Q723 R724 Q728A715-K726 WeakPolarHBondContact CB-O 3.39Å; Q723-K726 HydrophobicContact CB-CD 4.34Å; Q723-K726 HydrophobicContact CB-CG 4.44Å; Q723-K726 PolarHBondContact O-N 3.42Å; Q723-K726 VanDerWaalsContact OE1-CD 3.28Å; R724-K726 VanDerWaalsContact C-N 3.26Å; R724-K726 PolarHBondContact O-N 2.9Å; K726-Q728 VanDerWaalsContact C-N 3.31Å; K726-Q728 PolarHBondContact O-N 3.42Å
727N58.7Low71.8Confident92 Ų9299.8 Ų99.849%0.49247%0.47SS..  trans-80.7-7.5-179.8-70.34.1000113.9A715A715-N727 VanDerWaalsContact CB-C 3.49Å; A715-N727 WeakPolarHBondContact CB-O 3.46Å
728Q81.9Confident73.2Confident169 Ų16999.4 Ų99.479%0.7947%0.465SS*.SBendtrans-84.7133.3178-170.71734.800111K726 Q730K726-Q728 VanDerWaalsContact C-N 3.31Å; K726-Q728 PolarHBondContact O-N 3.42Å; Q728-Q730 PolarHBondContact O-N 2.93Å
729N89.8Confident74.7Confident43 Ų4397.3 Ų97.323%0.2345%0.452CS..PPolyproline II helixtrans-60131.4175.3-65.2-34.1000110.5F668 F712 Q714 A715 F731F668-N729 HydrophobicContact CE1-CB 4.19Å; F668-N729 HydrophobicContact CZ-CB 4.04Å; F668-N729 WeakPolarHBondContact CZ-ND2 3.47Å; F712-N729 HydrophobicContact CB-CB 4.39Å; F712-N729 HydrophobicContact CD1-CB 4.14Å; Q714-N729 WeakPolarHBondContact CA-OD1 3.44Å; Q714-N729 PolarHBondContact NE2-OD1 2.83Å; A715-N729 PolarHBondContact N-OD1 3.03Å; N729-F731 PolarHBondContact O-N 2.81Å
730Q90.9Very high75.7Confident99 Ų9993.4 Ų93.446%0.46344%0.44SS..EExtended strand (participates in β ladder)trans-81116.9-176.5177.8-176.38.700109.3F712 R713 Q728 I732F712-Q730 CarbonylContact C-O 3.53Å; F712-Q730 WeakPolarHBondContact CA-O 3.4Å; R713-Q730 HydrophobicContact CB-CB 4.27Å; R713-Q730 PolarHBondContact N-O 2.83Å; R713-Q730 PolarHBondContact O-N 2.97Å; Q728-Q730 PolarHBondContact O-N 2.93Å; Q730-I732 HydrophobicContact CG-CD1 3.97Å
731F93.1Very high76.5Confident73 Ų7391.4 Ų91.432%0.3243%0.429SS..EExtended strand (participates in β ladder)trans-70.5127.4174.1-174.8-141.4000110.2N710 L711 F712 N729 G733 Y734 P757N710-F731 HydrophobicContact CB-CD2 4.46Å; N710-F731 HydrophobicContact CB-CE2 3.75Å; L711-F731 WeakPolarHBondContact O-CD2 3.5Å; F712-F731 HydrophobicContact CD1-CB 4.02Å; F712-F731 HydrophobicContact CD1-CD2 4.23Å; F712-F731 HydrophobicContact CE1-CB 3.73Å; F712-F731 AromaticContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CD2 3.83Å; F712-F731 HydrophobicContact CE1-CG 4.07Å; F712-F731 HydrophobicContact CE2-CD2 4.29Å; F712-F731 AromaticContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CD2 3.87Å; F712-F731 HydrophobicContact CZ-CE2 4.48Å; F712-F731 HydrophobicContact CZ-CG 4.43Å; N729-F731 PolarHBondContact O-N 2.81Å; F731-G733 VanDerWaalsContact CE2-O 3.26Å; F731-G733 WeakPolarHBondContact CE2-O 3.39Å; F731-Y734 HydrophobicContact CE1-CD1 4.29Å; F731-Y734 AromaticContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CG 4.23Å; F731-P757 HydrophobicContact CD1-CB 3.59Å; F731-P757 HydrophobicContact CE1-CB 3.79Å; F731-P757 HydrophobicContact CG-CB 4.5Å
732I92.8Very high76.5Confident36 Ų3689.3 Ų89.319%0.18543%0.427CS..EExtended strand (participates in β ladder)trans-106.2-32.9-171.6-58.3-63.5000111.8Y667 L711 R713 Q730 P757 P901Y667-I732 HydrophobicContact CD1-CG1 4.34Å; Y667-I732 HydrophobicContact CE1-CD1 4.31Å; Y667-I732 HydrophobicContact CE1-CG1 4Å; L711-I732 HydrophobicContact CB-CB 4.46Å; L711-I732 HydrophobicContact CD2-CB 3.94Å; L711-I732 HydrophobicContact CD2-CG2 3.71Å; L711-I732 HydrophobicContact CG-CB 4.04Å; L711-I732 HydrophobicContact CG-CG2 4.37Å; L711-I732 WeakPolarHBondContact O-CB 3.42Å; L711-I732 PolarHBondContact O-N 3.29Å; R713-I732 HydrophobicContact CB-CD1 3.76Å; R713-I732 HydrophobicContact CB-CG1 3.85Å; Q730-I732 HydrophobicContact CG-CD1 3.97Å; I732-P757 VanDerWaalsContact O-CD 3.3Å; I732-P757 WeakPolarHBondContact O-CD 3.3Å; I732-P901 HydrophobicContact CG2-CG 4.1Å
733G94.5Very high76.3Confident1 Ų179.7 Ų79.71%0.0140%0.397CS..EExtended strand (participates in β ladder)trans164176.1179.100000111.8L711 F731 Q755L711-G733 PolarHBondContact N-O 3.34Å; F731-G733 VanDerWaalsContact CE2-O 3.26Å; F731-G733 WeakPolarHBondContact CE2-O 3.39Å; G733-Q755 CarbonylContact C-O 3.54Å; G733-Q755 WeakPolarHBondContact CA-O 3.27Å
734Y95.2Very high76.2Confident40 Ų4081.1 Ų81.116%0.15740%0.404CS..EExtended strand (participates in β ladder)trans-142163.3-177.663.4-80.6000112.7T708 I709 N710 F731 M754 Q755T708-Y734 HydrophobicContact CG2-CD2 4.24Å; I709-Y734 CarbonylContact O-C 3.57Å; I709-Y734 WeakPolarHBondContact O-CA 3.38Å; N710-Y734 WeakPolarHBondContact OD1-CB 3.41Å; F731-Y734 HydrophobicContact CE1-CD1 4.29Å; F731-Y734 AromaticContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CD1 3.75Å; F731-Y734 HydrophobicContact CZ-CG 4.23Å; Y734-M754 CarbonylContact O-C 3.46Å; Y734-M754 WeakPolarHBondContact O-CA 3.47Å; Y734-Q755 HydrophobicContact CD1-CB 4.36Å; Y734-Q755 HydrophobicContact CD2-CB 4.48Å; Y734-Q755 HydrophobicContact CE1-CB 3.92Å; Y734-Q755 HydrophobicContact CE2-CB 4.03Å; Y734-Q755 HydrophobicContact CE2-CG 4.47Å; Y734-Q755 PolarHBondContact N-O 3.08Å; Y734-Q755 PolarHBondContact O-N 2.82Å; Y734-Q755 PolarHBondContact OH-OE1 2.62Å
735V94.5Very high76.3Confident8 Ų875.6 Ų75.65%0.04839%0.387CS..EExtended strand (participates in β ladder)trans-128.7120.9169173.20000107.3T708 I709 I737 F752 M754T708-V735 CarbonylContact C-O 3.59Å; T708-V735 WeakPolarHBondContact CA-O 3.49Å; I709-V735 PolarHBondContact N-O 2.88Å; I709-V735 PolarHBondContact O-N 2.91Å; V735-I737 HydrophobicContact CG1-CD1 4.04Å; V735-I737 HydrophobicContact CG1-CG1 3.88Å; V735-F752 HydrophobicContact CB-CB 4.46Å; V735-F752 HydrophobicContact CG1-CB 3.74Å; V735-F752 HydrophobicContact CG1-CD1 3.89Å; V735-F752 HydrophobicContact CG1-CG 3.95Å; V735-F752 HydrophobicContact CG2-CB 3.87Å; V735-M754 HydrophobicContact CG2-CB 4.29Å; V735-M754 HydrophobicContact CG2-CE 4.04Å; V735-M754 HydrophobicContact CG2-CG 3.88Å
736T93.7Very high76.4Confident57 Ų5771.7 Ų71.735%0.3537%0.371SS..EExtended strand (participates in β ladder)trans-104.9133.6172.8-59.60000109.7I706 M707 T708I706-T736 HydrophobicContact CB-CG2 4.34Å; M707-T736 CarbonylContact O-C 3.51Å; M707-T736 WeakPolarHBondContact O-CA 3.46Å; T708-T736 WeakPolarHBondContact OG1-CG2 3.48Å; T708-T736 PolarHBondContact OG1-OG1 2.88Å
737I91.4Very high76.7Confident24 Ų2470.4 Ų70.412%0.12337%0.367CS..EExtended strand (participates in β ladder)trans-129.1115.5-176.8-58.9-179.6000106.7M707 V735 F752 M905 I907M707-I737 HydrophobicContact CE-CB 4.38Å; M707-I737 HydrophobicContact CE-CD1 4.05Å; M707-I737 PolarHBondContact N-O 2.85Å; M707-I737 PolarHBondContact O-N 3.32Å; V735-I737 HydrophobicContact CG1-CD1 4.04Å; V735-I737 HydrophobicContact CG1-CG1 3.88Å; I737-F752 HydrophobicContact CD1-CD1 4.03Å; I737-F752 HydrophobicContact CD1-CE1 3.55Å; I737-F752 HydrophobicContact CD1-CE2 4.23Å; I737-F752 HydrophobicContact CD1-CZ 3.66Å; I737-F752 HydrophobicContact CG1-CD1 4.48Å; I737-F752 HydrophobicContact CG1-CE1 4.13Å; I737-M905 HydrophobicContact CD1-SD 3.99Å; I737-I907 HydrophobicContact CD1-CD1 3.34Å
738P90.4Very high77.2Confident87 Ų8769.5 Ų69.557%0.56536%0.362SS*.EExtended strand (participates in β ladder)trans-67.3140171.629.7-33.2000109.8
739L86.8Confident77.3Confident12 Ų1267.1 Ų67.16%0.06335%0.351CS..  trans-110.3111.8174.7-60.2177.6000106.8L651 I704 S705 M707 Y909L651-L739 HydrophobicContact CD2-CD1 4.05Å; I704-L739 HydrophobicContact CD1-CD1 3.46Å; I704-L739 VanDerWaalsContact CD1-CD1 3.46Å; I704-L739 HydrophobicContact CG1-CD1 3.84Å; S705-L739 PolarHBondContact O-N 3.35Å; M707-L739 HydrophobicContact CB-CD1 4.07Å; M707-L739 HydrophobicContact CB-CG 4.34Å; L739-Y909 HydrophobicContact CB-CD1 4.44Å; L739-Y909 HydrophobicContact CB-CD2 4.47Å; L739-Y909 HydrophobicContact CB-CE1 4.32Å; L739-Y909 HydrophobicContact CB-CE2 4.32Å; L739-Y909 HydrophobicContact CD1-CD2 4.04Å; L739-Y909 HydrophobicContact CD1-CE2 4.17Å; L739-Y909 HydrophobicContact CD2-CD2 4.35Å; L739-Y909 HydrophobicContact CD2-CG 4.14Å
740N74.4Confident77.2Confident90 Ų9070.9 Ų70.948%0.48137%0.365SS..  trans-117.1145.2178.1-69.118.3000108.7D742 S743N740-D742 PolarHBondContact O-N 2.88Å; N740-D742 VanDerWaalsContact O-N 3.15Å; N740-S743 WeakPolarHBondContact O-CB 3.38Å; N740-S743 PolarHBondContact O-N 2.83Å; N740-S743 PolarHBondContact O-OG 3.21Å
741D63.9Low77.3Confident67 Ų6770.1 Ų70.136%0.35836%0.358SS..G310 helixtrans-57.1-29.6176.5-78.2-20.7000112.8K647 S743 Q744 T911K647-D741 IonicContact NZ-OD2 3.13Å; D741-S743 PolarHBondContact O-N 2.85Å; D741-S743 VanDerWaalsContact O-N 3.12Å; D741-Q744 WeakPolarHBondContact O-CG 3.46Å; D741-T911 WeakPolarHBondContact OD1-CB 3.46Å; D741-T911 PolarHBondContact OD1-OG1 3.03Å
742D53Low77.3Confident151 Ų15168.2 Ų68.281%0.80735%0.35SS*.G310 helixtrans-63.2-14.6175.3-56-40.2000114.2N740 Q744N740-D742 PolarHBondContact O-N 2.88Å; N740-D742 VanDerWaalsContact O-N 3.15Å; D742-Q744 PolarHBondContact O-N 3.45Å; D742-Q744 VanDerWaalsContact O-N 3.15Å
743S48.5Very low77.4Confident44 Ų4471.3 Ų71.331%0.30837%0.365SS..G310 helixtrans-82.221.8-17766.90000114.3N740 D741 Q745N740-S743 WeakPolarHBondContact O-CB 3.38Å; N740-S743 PolarHBondContact O-N 2.83Å; N740-S743 PolarHBondContact O-OG 3.21Å; D741-S743 PolarHBondContact O-N 2.85Å; D741-S743 VanDerWaalsContact O-N 3.12Å; S743-Q745 PolarHBondContact O-N 2.71Å
744Q47.8Very low77.3Confident116 Ų11671.3 Ų71.354%0.54237%0.365SS..THydrogen-bonded Turntrans-47.8129.4-175.1-55.4-164-300112.6D741 D742 C746D741-Q744 WeakPolarHBondContact O-CG 3.46Å; D742-Q744 PolarHBondContact O-N 3.45Å; D742-Q744 VanDerWaalsContact O-N 3.15Å; Q744-C746 VanDerWaalsContact C-N 3.28Å; Q744-C746 PolarHBondContact O-N 2.85Å; Q744-C746 VanDerWaalsContact O-N 3.1Å
745Q52.9Low77.2Confident96 Ų9673.9 Ų73.945%0.44938%0.379SS..THydrogen-bonded Turntrans65.94.7165.4-56.3179.6-6.100118.1S743 E747S743-Q745 PolarHBondContact O-N 2.71Å; Q745-E747 PolarHBondContact O-N 2.74Å; Q745-E747 VanDerWaalsContact O-N 3.15Å
746C55.1Low76.9Confident78 Ų7876.6 Ų76.653%0.52740%0.396SS..  trans-77.9101.5174.6-74.90000112Q744 I748Q744-C746 VanDerWaalsContact C-N 3.28Å; Q744-C746 PolarHBondContact O-N 2.85Å; Q744-C746 VanDerWaalsContact O-N 3.1Å; C746-I748 HydrophobicContact CB-CD1 4.36Å; C746-I748 HydrophobicContact CB-CG1 4.01Å; C746-I748 PolarHBondContact O-N 3.09Å
747E61.5Low76.5Confident95 Ų9575.8 Ų75.844%0.44439%0.392SS..  trans-70.592.5166-170.1177.9165.100109.9Q745 Q749 I907 K945Q745-E747 PolarHBondContact O-N 2.74Å; Q745-E747 VanDerWaalsContact O-N 3.15Å; E747-Q749 PolarHBondContact O-N 3.32Å; E747-I907 WeakPolarHBondContact CA-O 3.31Å; E747-K945 IonicContact OE2-NZ 2.7Å; E747-K945 PolarHBondContact OE2-NZ 3.47Å
748I69.3Low75.6Confident74 Ų7481.2 Ų81.238%0.37942%0.417SS..  trans-8889.5-173.7-60.4167.4000110C746 K750 F752 M906 I907C746-I748 HydrophobicContact CB-CD1 4.36Å; C746-I748 HydrophobicContact CB-CG1 4.01Å; C746-I748 PolarHBondContact O-N 3.09Å; I748-K750 HydrophobicContact CG2-CB 3.61Å; I748-K750 HydrophobicContact CG2-CD 4.07Å; I748-K750 PolarHBondContact O-N 2.83Å; I748-F752 HydrophobicContact CG2-CZ 4.23Å; I748-M906 WeakPolarHBondContact O-CA 3.09Å; I748-I907 PolarHBondContact N-O 3.01Å; I748-I907 PolarHBondContact O-N 3.16Å
749Q83.1Confident74.1Confident118 Ų11884 Ų8455%0.55143%0.425SS*.  trans-79.1105.1161.6-175.5173.64100110E747 M905 M906E747-Q749 PolarHBondContact O-N 3.32Å; Q749-M905 WeakPolarHBondContact CA-O 3.42Å; Q749-M906 HydrophobicContact CB-CG 3.78Å; Q749-M906 HydrophobicContact CB-SD 3.94Å; Q749-M906 HydrophobicContact CG-CG 3.76Å; Q749-M906 HydrophobicContact CG-SD 3.94Å
750K88.5Confident71.9Confident122 Ų12288.3 Ų88.353%0.5345%0.448SS..EExtended strand (participates in β ladder)trans-147.3152.8-173.4-170.7173.4178.3-1790113.3I748 F752 R904 M905I748-K750 HydrophobicContact CG2-CB 3.61Å; I748-K750 HydrophobicContact CG2-CD 4.07Å; I748-K750 PolarHBondContact O-N 2.83Å; K750-F752 HydrophobicContact CB-CD2 4.4Å; K750-F752 HydrophobicContact CB-CE2 3.75Å; K750-F752 HydrophobicContact CB-CZ 4.06Å; K750-F752 HydrophobicContact CD-CE1 4.41Å; K750-F752 HydrophobicContact CD-CZ 4.2Å; K750-F752 HydrophobicContact CG-CE2 4.3Å; K750-F752 HydrophobicContact CG-CZ 4.39Å; K750-F752 WeakPolarHBondContact O-CD2 3.42Å; K750-R904 WeakPolarHBondContact O-CA 3.35Å; K750-M905 PolarHBondContact N-O 2.84Å; K750-M905 PolarHBondContact O-N 2.84Å; K750-M905 VanDerWaalsContact O-N 3.17Å
751W92.6Very high70.1Confident83 Ų8388.2 Ų88.231%0.31446%0.455SS..EExtended strand (participates in β ladder)trans-86122165.7-7496.9000110.2E657 K659 Q902 R904E657-W751 HydrophobicContact CG-CH2 3.64Å; E657-W751 HydrophobicContact CG-CZ2 4.23Å; E657-W751 HydrophobicContact CG-CZ3 4.29Å; E657-W751 WeakPolarHBondContact OE1-CH2 3.39Å; E657-W751 VanDerWaalsContact OE1-CZ2 3.23Å; E657-W751 WeakPolarHBondContact OE1-CZ2 3.05Å; K659-W751 HydrophobicContact CB-CH2 4.46Å; K659-W751 HydrophobicContact CB-CZ3 4.42Å; K659-W751 HydrophobicContact CD-CE3 4.32Å; K659-W751 HydrophobicContact CD-CH2 3.64Å; K659-W751 HydrophobicContact CD-CZ2 4.31Å; K659-W751 HydrophobicContact CD-CZ3 3.66Å; K659-W751 HydrophobicContact CG-CH2 4.06Å; K659-W751 HydrophobicContact CG-CZ3 3.74Å; W751-Q902 HydrophobicContact CE3-CB 3.94Å; W751-Q902 HydrophobicContact CZ3-CB 4.34Å; W751-Q902 WeakPolarHBondContact CZ3-O 3.38Å; W751-R904 HydrophobicContact CD2-CB 3.78Å; W751-R904 HydrophobicContact CD2-CG 4.24Å; W751-R904 HydrophobicContact CE3-CB 3.77Å; W751-R904 HydrophobicContact CG-CB 4.4Å; W751-R904 HydrophobicContact CG-CG 4.47Å; W751-R904 HydrophobicContact CH2-CB 4.11Å; W751-R904 HydrophobicContact CZ2-CB 4.12Å; W751-R904 HydrophobicContact CZ3-CB 3.93Å
752F93.4Very high68.7Low34 Ų3490.8 Ų90.815%0.14947%0.469CS..EExtended strand (participates in β ladder)trans-105.4134.9173.8-62.8-95.5000109.5V735 I737 I748 K750 Q902 L903 M905 I907V735-F752 HydrophobicContact CB-CB 4.46Å; V735-F752 HydrophobicContact CG1-CB 3.74Å; V735-F752 HydrophobicContact CG1-CD1 3.89Å; V735-F752 HydrophobicContact CG1-CG 3.95Å; V735-F752 HydrophobicContact CG2-CB 3.87Å; I737-F752 HydrophobicContact CD1-CD1 4.03Å; I737-F752 HydrophobicContact CD1-CE1 3.55Å; I737-F752 HydrophobicContact CD1-CE2 4.23Å; I737-F752 HydrophobicContact CD1-CZ 3.66Å; I737-F752 HydrophobicContact CG1-CD1 4.48Å; I737-F752 HydrophobicContact CG1-CE1 4.13Å; I748-F752 HydrophobicContact CG2-CZ 4.23Å; K750-F752 HydrophobicContact CB-CD2 4.4Å; K750-F752 HydrophobicContact CB-CE2 3.75Å; K750-F752 HydrophobicContact CB-CZ 4.06Å; K750-F752 HydrophobicContact CD-CE1 4.41Å; K750-F752 HydrophobicContact CD-CZ 4.2Å; K750-F752 HydrophobicContact CG-CE2 4.3Å; K750-F752 HydrophobicContact CG-CZ 4.39Å; K750-F752 WeakPolarHBondContact O-CD2 3.42Å; F752-Q902 CarbonylContact O-C 3.56Å; F752-Q902 VanDerWaalsContact O-CA 3.27Å; F752-Q902 WeakPolarHBondContact O-CA 3.41Å; F752-L903 PolarHBondContact N-O 2.82Å; F752-L903 PolarHBondContact O-N 3.19Å; F752-M905 HydrophobicContact CD2-CE 4.03Å; F752-M905 HydrophobicContact CD2-CG 3.68Å; F752-M905 HydrophobicContact CD2-SD 3.83Å; F752-M905 HydrophobicContact CE2-CG 3.5Å; F752-M905 VanDerWaalsContact CE2-CG 3.5Å; F752-M905 HydrophobicContact CE2-SD 3.82Å; F752-I907 HydrophobicContact CE2-CD1 4.36Å; F752-I907 HydrophobicContact CZ-CD1 4.17Å
753I94.3Very high67.8Low100 Ų10089 Ų8951%0.51346%0.458SS..EExtended strand (participates in β ladder)trans-81.6127.9172.3-55177.8000107.3L900 Q902I753-L900 HydrophobicContact CG2-CB 3.89Å; I753-L900 HydrophobicContact CG2-CD1 4Å; I753-Q902 HydrophobicContact CG1-CG 4.16Å
754M93.4Very high67Low2 Ų293 Ų931%0.0148%0.477CS..PPolyproline II helixtrans-78.3133.3-180-53-155.975.900110.5L711 Y734 V735 P901 L903L711-M754 HydrophobicContact CB-CE 3.57Å; L711-M754 HydrophobicContact CB-SD 3.69Å; L711-M754 HydrophobicContact CD2-SD 3.71Å; L711-M754 HydrophobicContact CG-SD 4.31Å; Y734-M754 CarbonylContact O-C 3.46Å; Y734-M754 WeakPolarHBondContact O-CA 3.47Å; V735-M754 HydrophobicContact CG2-CB 4.29Å; V735-M754 HydrophobicContact CG2-CE 4.04Å; V735-M754 HydrophobicContact CG2-CG 3.88Å; M754-P901 HydrophobicContact CB-CB 4.15Å; M754-P901 WeakPolarHBondContact CB-O 3.49Å; M754-P901 HydrophobicContact CG-CB 4.06Å; M754-P901 WeakPolarHBondContact CG-O 3.3Å; M754-P901 PolarHBondContact N-O 2.98Å; M754-P901 HydrophobicContact SD-CB 4.14Å; M754-L903 HydrophobicContact CE-CD2 4.1Å; M754-L903 HydrophobicContact CG-CB 4.19Å; M754-L903 HydrophobicContact SD-CB 4.09Å; M754-L903 HydrophobicContact SD-CD2 4.38Å
755Q92.1Very high66.2Low94 Ų9495.5 Ų95.544%0.43949%0.486SS..BIsolated β-bridgetrans-75.5134.4171.3-61.6-176.86.200108.8G733 Y734G733-Q755 CarbonylContact C-O 3.54Å; G733-Q755 WeakPolarHBondContact CA-O 3.27Å; Y734-Q755 HydrophobicContact CD1-CB 4.36Å; Y734-Q755 HydrophobicContact CD2-CB 4.48Å; Y734-Q755 HydrophobicContact CE1-CB 3.92Å; Y734-Q755 HydrophobicContact CE2-CB 4.03Å; Y734-Q755 HydrophobicContact CE2-CG 4.47Å; Y734-Q755 PolarHBondContact N-O 3.08Å; Y734-Q755 PolarHBondContact O-N 2.82Å; Y734-Q755 PolarHBondContact OH-OE1 2.62Å
756P89.1Confident65Low65 Ų6597.6 Ų97.642%0.42250%0.499SS..PPolyproline II helixtrans-66.1155.1175.129.5-35000110.7Q758P756-Q758 PolarHBondContact O-N 2.93Å
757P84.8Confident63.6Low39 Ų39101.6 Ų101.625%0.25351%0.51SS..PPolyproline II helixtrans-59.9129.9173.926.2-35.2000110.7F731 I732 I759F731-P757 HydrophobicContact CD1-CB 3.59Å; F731-P757 HydrophobicContact CE1-CB 3.79Å; F731-P757 HydrophobicContact CG-CB 4.5Å; I732-P757 VanDerWaalsContact O-CD 3.3Å; I732-P757 WeakPolarHBondContact O-CD 3.3Å; P757-I759 PolarHBondContact O-N 2.84Å
758Q73Confident62Low139 Ų139104.2 Ų104.265%0.6553%0.527SS*.  trans-71.692.9174.7-57.3-61.8-13.900109.4P756 N760P756-Q758 PolarHBondContact O-N 2.93Å; Q758-N760 PolarHBondContact O-N 3.02Å
759I58.1Low60Low144 Ų144108.1 Ų108.174%0.73855%0.548SS*.  trans-77.1104.7171.8-58.1173.1000107.2P757 S761P757-I759 PolarHBondContact O-N 2.84Å; I759-S761 VanDerWaalsContact C-N 3.31Å; I759-S761 PolarHBondContact O-N 2.87Å
760N41Very low57.3Low103 Ų103110.9 Ų110.955%0.55156%0.561SS**  trans-63.988.2172.5-80.3-20.4000110.5Q758 N762Q758-N760 PolarHBondContact O-N 3.02Å; N760-N762 PolarHBondContact O-N 3.21Å
761S37.3Very low54.3Low89 Ų89111.7 Ų111.762%0.62258%0.576SS**G310 helixtrans-71.9-0.417749.40000114.2I759 L763I759-S761 VanDerWaalsContact C-N 3.31Å; I759-S761 PolarHBondContact O-N 2.87Å; S761-L763 VanDerWaalsContact C-N 3.29Å; S761-L763 PolarHBondContact O-N 3.17Å
762N33.1Very low50.9Low121 Ų121113.9 Ų113.965%0.64760%0.603SS**G310 helixtrans-77.3-3.5-177.8-72.7-7.6000115N760 N764 F765N760-N762 PolarHBondContact O-N 3.21Å; N762-N764 VanDerWaalsContact C-N 3.28Å; N762-N764 PolarHBondContact O-N 3.28Å; N762-F765 PolarHBondContact O-N 2.98Å
763L34.8Very low47.7Very low112 Ų112120 Ų12059%0.58663%0.632SS**G310 helixtrans-74.5-13.5172.7-74.4-175.7000114.2S761 W850S761-L763 VanDerWaalsContact C-N 3.29Å; S761-L763 PolarHBondContact O-N 3.17Å; L763-W850 HydrophobicContact CD1-CH2 4.44Å
764N31.7Very low44.4Very low130 Ų130123.4 Ų123.470%0.69565%0.645SS**G310 helixtrans-88.4-1174.8-72.715.5000114N762N762-N764 VanDerWaalsContact C-N 3.28Å; N762-N764 PolarHBondContact O-N 3.28Å
765F30Very low41Very low168 Ų168131.7 Ų131.774%0.73768%0.684SS**THydrogen-bonded Turntrans-101.7-16.8174.7-95.6-81.5000113.9N762N762-F765 PolarHBondContact O-N 2.98Å
766L28.9Very low37.8Very low139 Ų139135.9 Ų135.973%0.72870%0.703SS**SBendtrans-86.5-19.9-179.6-140.879.6000113.5
767E26.4Very low34.6Very low162 Ų162140.7 Ų140.776%0.75772%0.72SS**THydrogen-bonded Turntrans-81.9-15.9-175.1-154.9161.6-145.500113.3
768N28Very low31.6Very low150 Ų150146.4 Ų146.480%0.80274%0.743SS**THydrogen-bonded Turntrans-100.118.1180-78.3-28.7000114.6
769L26.8Very low29.2Very low157 Ų157147.5 Ų147.582%0.82275%0.748SS**SBendtrans-122.913.5178.8-106.1156.3000113.9
770Q26.5Very low27.5Very low176 Ų176145.9 Ų145.982%0.82275%0.745SS**SBendtrans-115.729.5-179.8-150.1178.8-64.200114.5
771V24.3Very low26.6Very low139 Ų139148 Ų14884%0.84276%0.756SS**  trans-141.589.9161.8-169.70000111
772C21.8Very low25.8Very low129 Ų129149.1 Ų149.187%0.87276%0.76SS**  trans-147.2129.7141-1660000108.3
773H27Very low25.5Very low163 Ų163150 Ų15076%0.75576%0.764SS**  trans-81.1160.5-168.4-95.7-51.1000113.8Q775H773-Q775 PolarHBondContact O-N 3.06Å
774Q23.6Very low24.9Very low170 Ų170153.2 Ų153.279%0.79478%0.777SS**  trans-32.3121150.2-61.8160-14.300112.3
775Q22.3Very low24.5Very low176 Ų176153 Ų15382%0.82278%0.78SS**  trans172.993.5139.6-97.8168.846.400110.8H773H773-Q775 PolarHBondContact O-N 3.06Å
776H25.8Very low24.2Very low183 Ų183150.8 Ų150.885%0.84778%0.783SS**  -168.6145.3112-105.667.1000111.6
777Q21.3Very low23.8Very low166 Ų166149.2 Ų149.278%0.77678%0.784SS**  trans-94.5148.9175.8-61159.3-18.200108.9
778Q22.8Very low23.6Very low158 Ų158149.5 Ų149.574%0.73879%0.788SS**  152.6152.1120.2-81.6-179.830.600113.3
779Q22.8Very low23.2Very low162 Ų162149 Ų14976%0.75779%0.786SS**  trans69.894.6163.9-73.5168.98.100116.6
780T20.9Very low23Very low111 Ų111146.8 Ų146.868%0.68178%0.783SS**  85.4104.279.852.50000112.5
781D21.9Very low22.8Very low146 Ų146142.7 Ų142.778%0.78177%0.774SS**  -171157.789-102.4-34.4000115.1
782T22.1Very low22.8Very low113 Ų113142.7 Ų142.769%0.69378%0.775SS**  trans-25127.6176.756.50000119.5
783N25.8Very low22.9Very low139 Ų139140.2 Ų140.274%0.74377%0.771SS**  -178.2113.6109.1-93.1-44.7000114.8
784Q23.2Very low22.8Very low180 Ų180139.2 Ų139.284%0.84178%0.776SS**  trans46.591.8144-55.4-172.314.400120.4
785T22.4Very low22.8Very low126 Ų126137.3 Ų137.377%0.77378%0.781SS**  trans-34.2155.7139.4470000115.2
786P23Very low22.9Very low121 Ų121132.2 Ų132.279%0.78678%0.776SS**  cis-138.4118.437.235.9-15.5000117.2
787S21.6Very low22.7Very low107 Ų107134.2 Ų134.275%0.74878%0.776SS**  trans-104121.114651.90000108.4N789S787-N789 PolarHBondContact O-N 2.81Å
788I22.3Very low23Very low167 Ų167134.3 Ų134.386%0.85678%0.781SS**  trans-71.7120.2-174.9-68.8171000109.6
789N19.6Very low22.9Very low141 Ų141137 Ų13775%0.75478%0.784SS**  trans-91167.4174.1-110-25.2000111.4S787S787-N789 PolarHBondContact O-N 2.81Å
790S22.5Very low23.1Very low109 Ų109138.7 Ų138.776%0.76279%0.789SS**  trans71.9152.3167.790.40000115.2
791S22.6Very low23.2Very low90 Ų90142.7 Ų142.763%0.62980%0.8SS**  cis172.2169-22.757.90000104.9
792T24.2Very low23.4Very low140 Ų140141.1 Ų141.186%0.85980%0.8SS**  trans68.3126.7171.769.70000116.5
793G23.1Very low23.6Very low76 Ų76143.3 Ų143.378%0.78481%0.806SS**  trans-82.5176.1-173.200000115.1
794V25.7Very low23.7Very low142 Ų142142.4 Ų142.486%0.86181%0.807SS**  trans-159.7144.1134.5140.20000107G796V794-G796 PolarHBondContact O-N 3.23Å
795S23.1Very low23.8Very low130 Ų130138 Ų13891%0.90980%0.802SS**  trans-6494.3176.4-68.70000112.2
796G25.1Very low23.9Very low69 Ų69137.4 Ų137.471%0.71180%0.803SS**  trans-104.893.9176.200000112.8V794 L798V794-G796 PolarHBondContact O-N 3.23Å; G796-L798 PolarHBondContact O-N 3.42Å; G796-L798 VanDerWaalsContact O-N 3.08Å
797R21.7Very low24Very low225 Ų225137.2 Ų137.285%0.84980%0.803SS**  trans-76.389.5-177.7-170.8-169.5-159.2-175.18.5111.8
798L26.2Very low24Very low168 Ų168141.2 Ų141.288%0.8881%0.808SS**  trans-111114.3170.8-79.5172.3000112.4G796G796-L798 PolarHBondContact O-N 3.42Å; G796-L798 VanDerWaalsContact O-N 3.08Å
799R21.6Very low24Very low216 Ų216136.6 Ų136.682%0.81580%0.801SS**  trans-78.8121.4163.8-64.2173.5179.8154.1-4.7108.5
800K25.7Very low24Very low197 Ų197140.3 Ų140.386%0.85781%0.806SS**  trans-138.8136.4148.5-75.5-165.5177-178.90108.5
801H24.1Very low24Very low195 Ų195140.3 Ų140.390%0.90381%0.806SS**  trans-69.3133.7176.9-68.8-109.1000109.3
802S25.9Very low23.9Very low113 Ų113143.4 Ų143.479%0.7982%0.815SS**  trans-124.6131.615948.80000108.6
803I27.1Very low23.8Very low158 Ų158141.7 Ų141.781%0.8181%0.809SS**PPolyproline II helixtrans-77.9140.2-179.5-65.6167.5000107.6A805I803-A805 PolarHBondContact O-N 2.8Å
804P26.4Very low23.7Very low120 Ų120147.5 Ų147.578%0.77981%0.813SS**PPolyproline II helixtrans-66.6121.4-178.126.7-34.5000111S806P804-S806 PolarHBondContact O-N 3.07Å
805A25.5Very low23.4Very low88 Ų88145.6 Ų145.673%0.72781%0.806SS**PPolyproline II helixtrans-72.7122.5173.300000110.5I803 C807I803-A805 PolarHBondContact O-N 2.8Å; A805-C807 PolarHBondContact O-N 2.82Å
806S25.2Very low23.3Very low113 Ų113147.2 Ų147.279%0.7980%0.803SS**  trans-74.3104.3169.642.60000110.4P804P804-S806 PolarHBondContact O-N 3.07Å
807C25.1Very low23.1Very low118 Ų118151.9 Ų151.980%0.79781%0.809SS**  trans-103.562.2174.3-60.90000111.1A805 G809A805-C807 PolarHBondContact O-N 2.82Å; C807-G809 PolarHBondContact O-N 3.43Å
808F20.8Very low23.1Very low191 Ų191145.5 Ų145.584%0.83880%0.797SS**  trans-69.4116.8157.1-90.5-92.8000107.6
809G22.8Very low22.8Very low69 Ų69144.3 Ų144.371%0.71179%0.792SS**  trans-140.963.4-175.100000111.5C807 S811C807-G809 PolarHBondContact O-N 3.43Å; G809-S811 PolarHBondContact O-N 2.87Å
810Y19Very low22.7Very low220 Ų220139 Ų13986%0.86379%0.788SS**  trans-71.7120.7164.2-83-89.8000108.9
811S23.4Very low22.5Very low108 Ų108138.7 Ų138.776%0.75579%0.789SS**  trans-133.1118.9165.142.40000110.2G809G809-S811 PolarHBondContact O-N 2.87Å
812N19.5Very low22.3Very low155 Ų155139.2 Ų139.283%0.82979%0.785SS**  trans-76.5163.6173.9-76.4-32.6000111.4
813S22.2Very low22Very low104 Ų104140.7 Ų140.773%0.72779%0.789SS**  trans111.198149.3-52.60000118.2
814F21Very low21.6Very low199 Ų199139.1 Ų139.187%0.87379%0.787SS**  55.5116.9127.1-75.9-79.4000122.7
815S20.1Very low21.4Very low102 Ų102141.5 Ų141.571%0.71379%0.793SS**  trans61.396.1134.264.40000120.2
816I22Very low21.1Very low163 Ų163141.5 Ų141.584%0.83679%0.788SS**  trans-129.8117.2136.8-63.3-177.4000108.7
817I19.2Very low20.8Very low167 Ų167143 Ų14386%0.85679%0.787SS**  trans-106.5123.4157.8-69.9169.9000104.2
818P22.1Very low20.8Very low92 Ų92145.7 Ų145.760%0.59779%0.794SS**  -147.4154.7109.738.4-23.1000117.1
819N20.1Very low20.7Very low143 Ų143145.7 Ų145.777%0.76579%0.793SS**  trans67.498.6144.3-63.6-6.8000120.4
820S19.2Very low20.7Very low103 Ų103149.9 Ų149.972%0.7280%0.798SS**  trans-46.7129.4140.453.10000113.2
821Q21.2Very low20.9Very low191 Ų191145.2 Ų145.289%0.89379%0.788SS**  trans-130.7133.7144.8-76.1-166-14.700109.9
822Y19.8Very low20.9Very low207 Ų207146.3 Ų146.381%0.81279%0.786SS**  trans-79.9136.5176.7-71.8-107.5000110.1
823T21Very low21Very low144 Ų144145.7 Ų145.788%0.88378%0.783SS**  trans-140.5108.1137.447.90000110
824T18.1Very low21.2Very low124 Ų124148.6 Ų148.676%0.76179%0.79SS**  trans-74.1124.8163.547.70000108.5
825N21.4Very low21.1Very low171 Ų171146.6 Ų146.691%0.91478%0.783SS**  trans-121.5116.2163.9-128.26.8000110
826S19Very low21.3Very low87 Ų87150 Ų15061%0.60879%0.792SS**  trans-110.6155.4-17852.80000110.4
827N20.4Very low21.2Very low146 Ų146149.7 Ų149.778%0.78179%0.785SS**  trans78.7106.2172.2-47.8-28.1000115.3
828N24.1Very low21.1Very low174 Ų174151.5 Ų151.593%0.9378%0.783SS**  -145.3150104.7-98.5-26.5000110.9
829K19.7Very low21.2Very low190 Ų190154.8 Ų154.883%0.82680%0.795SS**  trans-151.3125.9-171.9171.3-167.8-178.1-170.40105.5
830L22.5Very low21.2Very low157 Ų157156.5 Ų156.582%0.82280%0.798SS**  trans172.6148.5150.2-95.1155.6000112.1
831N23.1Very low21.4Very low122 Ų122159.9 Ų159.965%0.65281%0.805SS**  trans80.988.9153.9-59.41.8000121.1
832D23.1Very low21.4Very low132 Ų132159.3 Ų159.371%0.70680%0.802SS**  66126.5103.3-54.3-4.8000122.3
833D22.4Very low21.7Very low142 Ų142157.6 Ų157.676%0.75981%0.806SS**  trans54106.8138.2-57.6-13.8000120.4
834N25.7Very low21.9Very low164 Ų164155.4 Ų155.488%0.87780%0.797SS**  -157.4125.6121.4-105-68000112.5
835E19.2Very low22.3Very low158 Ų158159.7 Ų159.774%0.73881%0.805SS**  trans-88114.6177.9-178-167.9175.800110
836L24.7Very low22.5Very low172 Ų172160.7 Ų160.790%0.90180%0.801SS**  trans-130.9123.4168.6-88.2175.6000113.6
837K19.6Very low22.7Very low158 Ų158166 Ų16669%0.68781%0.813SS**  trans-77.1143-177.8-83.6169.6-178.2161.10112.4
838Y18.1Very low23Very low205 Ų205164.4 Ų164.480%0.80481%0.812SS**  trans48119.3150-76.5-103.3000118.5
839N22.3Very low23Very low161 Ų161160.9 Ų160.986%0.86180%0.801SS**  -162.7154.5102.9-102.5-47.4000115
840H21Very low23.2Very low178 Ų178161.1 Ų161.182%0.82480%0.797SS**  trans-84.1105.9-170.6-179.3-78.4000111.2
841M22.8Very low23.2Very low175 Ų175159.8 Ų159.886%0.86280%0.796SS**  trans-118.5128.6173.5-16282.781.100111.4L843M841-L843 PolarHBondContact O-N 3.4Å
842E22Very low23.4Very low179 Ų179157.9 Ų157.984%0.83680%0.796SS**  trans-79.892.7-167.8-171.6176.2-166.700112.6S844E842-S844 PolarHBondContact O-N 3.5Å
843L25.8Very low23.4Very low171 Ų171155.1 Ų155.190%0.89580%0.799SS**  trans-88.1107.2175.7-92165.5000112.5M841 K845M841-L843 PolarHBondContact O-N 3.4Å; L843-K845 PolarHBondContact O-N 3.05Å
844S25.9Very low23.5Very low98 Ų98154 Ų15469%0.68580%0.797SS**  trans-71.7121.6-176.646.40000113.8E842 K846E842-S844 PolarHBondContact O-N 3.5Å; S844-K846 PolarHBondContact O-N 3.48Å; S844-K846 VanDerWaalsContact O-N 3.09Å
845K25.9Very low23.5Very low213 Ų213151.7 Ų151.793%0.92679%0.789SS**  trans25.673.6142.3-60.8177.7-177.4172.80116.7L843L843-K845 PolarHBondContact O-N 3.05Å
846K25.1Very low23.8Very low192 Ų192149.4 Ų149.484%0.83579%0.786SS**  trans-100111.9151.8-77.1-175.2177.8176.90109.2S844 C848S844-K846 PolarHBondContact O-N 3.48Å; S844-K846 VanDerWaalsContact O-N 3.09Å; K846-C848 PolarHBondContact O-N 2.89Å
847K24.2Very low23.8Very low199 Ų199147.8 Ų147.887%0.86578%0.779SS**  trans-62.298.7170.4-78.9179.6171.6179.40108.5S849K847-S849 PolarHBondContact O-N 2.88Å
848C25Very low24Very low113 Ų113145.2 Ų145.276%0.76478%0.781SS**  trans-70.2118.9162.4-67.40000108K846K846-C848 PolarHBondContact O-N 2.89Å
849S24.6Very low24.3Very low100 Ų100142.6 Ų142.670%0.69978%0.78SS**  trans-66.7127.3171.845.80000109.8K847 T851K847-S849 PolarHBondContact O-N 2.88Å; S849-T851 VanDerWaalsContact C-N 3.3Å; S849-T851 PolarHBondContact O-N 3.05Å
850W23.5Very low24.4Very low195 Ų195145 Ų14574%0.73978%0.783SS**  trans-72.483.3173-70.994.4000110.8L763 A852L763-W850 HydrophobicContact CD1-CH2 4.44Å; W850-A852 VanDerWaalsContact C-N 3.29Å; W850-A852 PolarHBondContact O-N 3.24Å; W850-A852 VanDerWaalsContact O-N 3.14Å
851T24.2Very low24.5Very low129 Ų129143.5 Ų143.579%0.79178%0.782SS**  trans-75.786.9156.448.70000107.9S849 G853S849-T851 VanDerWaalsContact C-N 3.3Å; S849-T851 PolarHBondContact O-N 3.05Å; T851-G853 PolarHBondContact O-N 3.3Å
852A27.1Very low24.5Very low81 Ų81144.5 Ų144.567%0.66978%0.781SS**  trans-70.199.8168.600000108.5W850 V854W850-A852 VanDerWaalsContact C-N 3.29Å; W850-A852 PolarHBondContact O-N 3.24Å; W850-A852 VanDerWaalsContact O-N 3.14Å; A852-V854 PolarHBondContact O-N 3.23Å; A852-V854 VanDerWaalsContact O-N 3.11Å
853G23.2Very low24.5Very low74 Ų74141.7 Ų141.776%0.76378%0.776SS**  trans-64108.7169.700000109.3T851 T855T851-G853 PolarHBondContact O-N 3.3Å; G853-T855 PolarHBondContact O-N 2.79Å
854V24.7Very low24.3Very low118 Ų118141.3 Ų141.372%0.71578%0.775SS**  trans-87.897.2170.6-1790000107.2A852 T856A852-V854 PolarHBondContact O-N 3.23Å; A852-V854 VanDerWaalsContact O-N 3.11Å; V854-T856 HydrophobicContact CG1-CG2 3.99Å; V854-T856 PolarHBondContact O-N 2.82Å; V854-T856 VanDerWaalsContact O-N 3.09Å
855T24.7Very low24.1Very low116 Ų116143.3 Ų143.371%0.71277%0.772SS**  trans-69.5100.9166.147.30000108.2G853 D857G853-T855 PolarHBondContact O-N 2.79Å; T855-D857 PolarHBondContact O-N 3.45Å
856T24.5Very low23.9Very low111 Ų111139.4 Ų139.468%0.68176%0.759SS**  trans-77.173.9176.453.20000110.2V854 S858V854-T856 HydrophobicContact CG1-CG2 3.99Å; V854-T856 PolarHBondContact O-N 2.82Å; V854-T856 VanDerWaalsContact O-N 3.09Å; T856-S858 PolarHBondContact O-N 3.13Å
857D24.8Very low23.9Very low138 Ų138137.5 Ų137.574%0.73876%0.757SS**  trans-7572.1173.9-73.2-23.2000110.6T855 N859T855-D857 PolarHBondContact O-N 3.45Å; D857-N859 PolarHBondContact O-N 3.18Å
858S24.9Very low23.7Very low104 Ų104132.5 Ų132.573%0.72775%0.747SS**  trans-75.465.4174.650.70000111.6T856T856-S858 PolarHBondContact O-N 3.13Å
859N24.8Very low23.6Very low149 Ų149136 Ų13680%0.79775%0.749SS**  trans-136.852.9173.3-102.9-36.7000113.3D857 N861D857-N859 PolarHBondContact O-N 3.18Å; N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.82Å; N859-N861 VanDerWaalsContact O-N 3.09Å
860F23.8Very low23.4Very low211 Ų211136.8 Ų136.893%0.92576%0.755SS**  trans-78.578.8160.8-91.4-83.4000110.6
861N24.1Very low23.4Very low148 Ų148132.1 Ų132.179%0.79175%0.752SS**  trans-129.8142.8160.1-112.6-34.4000112.1N859 T863N859-N861 VanDerWaalsContact C-N 3.29Å; N859-N861 PolarHBondContact O-N 2.82Å; N859-N861 VanDerWaalsContact O-N 3.09Å; N861-T863 PolarHBondContact O-N 3.47Å
862K22Very low23.2Very low195 Ų195131 Ų13185%0.84875%0.75SS**  trans-63.7116.4-168.8-62.8158.8-179.3162.90111.1
863T21.7Very low22.9Very low120 Ų120132.4 Ų132.474%0.73675%0.754SS**  170.4117125.841.40000110.7N861N861-T863 PolarHBondContact O-N 3.47Å
864N22.3Very low22.9Very low163 Ų163136.1 Ų136.187%0.87276%0.762SS**  -173.1143.8105.6-97.5-34.3000114.3
865K21.5Very low22.7Very low140 Ų140135.7 Ų135.761%0.60977%0.765SS**  trans-87.1145.4169.9-109.9176.3179.6174.70108.5
866I21.7Very low22.7Very low131 Ų131137.1 Ų137.167%0.67277%0.773SS**  trans66.1100.7152.3-52.2157.3000115.8
867I24.5Very low22.6Very low152 Ų152136 Ų13678%0.77978%0.776SS**  -127.281.3122.6-57.5-175.5000107.9K869I867-K869 HydrophobicContact CG2-CD 4.3Å; I867-K869 HydrophobicContact CG2-CG 3.81Å
868S20.4Very low22.5Very low94 Ų94136 Ų13666%0.65778%0.78SS**  trans-92.190.9158.251.60000107.5S870S868-S870 PolarHBondContact O-N 3.08Å
869K23.5Very low22.4Very low187 Ų187136.3 Ų136.381%0.81378%0.783SS**  trans-72110.8173.1-86.7179.7178.6-178.40109.4I867I867-K869 HydrophobicContact CG2-CD 4.3Å; I867-K869 HydrophobicContact CG2-CG 3.81Å
870S19Very low22.5Very low116 Ų116135.1 Ų135.181%0.81178%0.783SS**  trans-103112166.854.50000109.8S868S868-S870 PolarHBondContact O-N 3.08Å
871S23.5Very low22.4Very low98 Ų98132.5 Ų132.569%0.68578%0.779SS**  trans-155104.5164.248.50000105.5
872S19.6Very low22.5Very low106 Ų106133.7 Ų133.774%0.74178%0.784SS**  57.4113.766.778.60000113.7
873S21.3Very low22.4Very low109 Ų109129.3 Ų129.376%0.76278%0.778SS**  trans55.299.5155.7590000119.4
874T24.7Very low22.9Very low152 Ų152129.1 Ų129.193%0.93378%0.779SS**  -144.7131.7126.53.80000110.6
875S19.8Very low23Very low110 Ų110128.7 Ų128.777%0.76978%0.777SS**  trans-99.3127.1176490000110.6
876T25.1Very low23.1Very low145 Ų145126.7 Ų126.789%0.8978%0.78SS**  trans-148.8149.2151.340.70000108.9
877A21.2Very low23.1Very low89 Ų89128.3 Ų128.374%0.73679%0.79SS**  trans-53159.8178.600000112.7
878T23.9Very low23.3Very low136 Ų136125.7 Ų125.783%0.83479%0.785SS**  cis-151.315034.9-30.20000112.1
879S21.1Very low23.6Very low111 Ų111127.8 Ų127.878%0.77679%0.794SS**  trans-105.9146.4163.6-530000108.5
880P28.6Very low24Very low124 Ų124123.6 Ų123.681%0.80578%0.784SS**  -141.8174.975.636.7-18.8000116.1
881N20.4Very low24.4Very low156 Ų156124 Ų12483%0.83478%0.777SS**  trans-62.2139.8-178.7-58.5-64.6000114.5
882L26.3Very low24.6Very low174 Ų174126 Ų12691%0.91178%0.78SS**  trans-146.2110.3140.6-82.2-177.4000111.1
883S21.1Very low25.3Very low103 Ų103128.9 Ų128.972%0.7278%0.78SS**  trans-77.7156.914155.10000108.4
884P32.4Very low25.8Very low115 Ų115131.1 Ų131.175%0.74778%0.782SS**  cis-141.5162.424.441.3-23.9000116.3
885N23.4Very low26.5Very low155 Ų155128.9 Ų128.983%0.82976%0.763SS**  -168.4136.7115.8-133.4-22.8000112.8
886S22.7Very low27.5Very low97 Ų97127.4 Ų127.468%0.67875%0.753SS**  trans-83.3111168.350.60000109.9
887N23.4Very low28.7Very low166 Ų166128.6 Ų128.689%0.88875%0.748SS**  trans-178.278.4147.6-93.6-24.5000111.8
888S27.9Very low30.4Very low96 Ų96131.3 Ų131.367%0.67175%0.751SS**  trans-142.2109.6152.662.10000110.2T890S888-T890 PolarHBondContact O-N 2.69Å
889V27.3Very low32.9Very low138 Ų138126.9 Ų126.984%0.83673%0.725SS**  trans-72.283.7167.1178.90000106.9N891V889-N891 PolarHBondContact O-N 2.72Å
890T30.9Very low36Very low99 Ų99123.7 Ų123.761%0.60770%0.699SS**  trans-75.8117.6172.339.70000108.4S888 N892S888-T890 PolarHBondContact O-N 2.69Å; T890-N892 VanDerWaalsContact C-N 3.33Å; T890-N892 PolarHBondContact O-N 3.03Å
891N27.1Very low39.1Very low126 Ų126118.7 Ų118.767%0.67467%0.667SS**  trans-69.379.3-170.3-77.3-45.6000112.9V889 F893V889-N891 PolarHBondContact O-N 2.72Å; N891-F893 HydrophobicContact CB-CD2 4.49Å; N891-F893 PolarHBondContact O-N 2.71Å
892N28.6Very low42.6Very low139 Ų139113.1 Ų113.174%0.74364%0.635SS**  trans-81.862.5167.7-75.2-23.6000111.4T890 I894T890-N892 VanDerWaalsContact C-N 3.33Å; T890-N892 PolarHBondContact O-N 3.03Å; N892-I894 PolarHBondContact O-N 3.48Å
893F35.1Very low45.9Very low167 Ų167104.8 Ų104.873%0.73259%0.592SS**  trans-76.858168.2-89.2-79.4000111.5N891 L895N891-F893 HydrophobicContact CB-CD2 4.49Å; N891-F893 PolarHBondContact O-N 2.71Å; F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 HydrophobicContact CD1-CD1 4.36Å; F893-L895 HydrophobicContact CD1-CG 4.37Å; F893-L895 PolarHBondContact O-N 3.25Å
894I31.6Very low49.5Very low156 Ų156102.3 Ų102.380%0.857%0.567SS**  trans-87.275.7164.7-53.7179.6000107.4N892 S896N892-I894 PolarHBondContact O-N 3.48Å; I894-S896 PolarHBondContact O-N 3.35Å
895L39Very low52.4Low105 Ų10596.8 Ų96.855%0.5553%0.531SS..  trans-72121.2167.7-76.8176.4000108.5F893 E897F893-L895 VanDerWaalsContact C-N 3.27Å; F893-L895 HydrophobicContact CD1-CD1 4.36Å; F893-L895 HydrophobicContact CD1-CG 4.37Å; F893-L895 PolarHBondContact O-N 3.25Å; L895-E897 PolarHBondContact O-N 3.2Å
896S41.5Very low55.6Low78 Ų7891.5 Ų91.555%0.54550%0.502SS..  trans-56.5138.3175.559.60000110.5I894 N898 S899I894-S896 PolarHBondContact O-N 3.35Å; S896-N898 PolarHBondContact O-N 2.81Å; S896-S899 WeakPolarHBondContact O-CB 3.13Å; S896-S899 PolarHBondContact O-N 3.34Å; S896-S899 PolarHBondContact O-OG 3.06Å
897E50.2Low58.8Low171 Ų17187.4 Ų87.480%0.79947%0.472SS*.G310 helixtrans-49.7-28-171.8-63.2-178.5148.400114.7L895 S899L895-E897 PolarHBondContact O-N 3.2Å; E897-S899 PolarHBondContact O-N 3.02Å; E897-S899 VanDerWaalsContact O-N 3.16Å
898N56.2Low62Low146 Ų14680.5 Ų80.578%0.78144%0.435SS*.G310 helixtrans-66.2-7.3175-70.1-33000115.6N660 S896N660-N898 PolarHBondContact ND2-O 3.5Å; S896-N898 PolarHBondContact O-N 2.81Å
899S75.8Confident64.9Low42 Ų4276.5 Ų76.529%0.29441%0.405SS..G310 helixtrans-111.7-0.9-172.863.70000115.6S896 E897S896-S899 WeakPolarHBondContact O-CB 3.13Å; S896-S899 PolarHBondContact O-N 3.34Å; S896-S899 PolarHBondContact O-OG 3.06Å; E897-S899 PolarHBondContact O-N 3.02Å; E897-S899 VanDerWaalsContact O-N 3.16Å
900L87.5Confident67.7Low44 Ų4471.2 Ų71.223%0.2337%0.371CS..SBendtrans-66.3146.7173.1-75.5167.8000111.2N660 I753N660-L900 WeakPolarHBondContact CB-O 3.22Å; N660-L900 PolarHBondContact ND2-O 2.83Å; I753-L900 HydrophobicContact CG2-CB 3.89Å; I753-L900 HydrophobicContact CG2-CD1 4Å
901P93Very high70.4Confident20 Ų2067.2 Ų67.213%0.1335%0.346CS..  trans-53.8140.2169.8-25.235000111.4V658 K659 L661 L711 I732 M754V658-P901 HydrophobicContact CG2-CB 4.35Å; K659-P901 WeakPolarHBondContact O-CA 3.26Å; L661-P901 HydrophobicContact CD2-CB 3.93Å; L661-P901 HydrophobicContact CD2-CG 4.07Å; L711-P901 HydrophobicContact CD2-CB 4.37Å; I732-P901 HydrophobicContact CG2-CG 4.1Å; M754-P901 HydrophobicContact CB-CB 4.15Å; M754-P901 WeakPolarHBondContact CB-O 3.49Å; M754-P901 HydrophobicContact CG-CB 4.06Å; M754-P901 WeakPolarHBondContact CG-O 3.3Å; M754-P901 PolarHBondContact N-O 2.98Å; M754-P901 HydrophobicContact SD-CB 4.14Å
902Q94.6Very high73.4Confident38 Ų3861.2 Ų61.218%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-128130.2175-60.7-173.1-5.200109.1V658 K659 W751 F752 I753V658-Q902 CarbonylContact C-O 3.44Å; V658-Q902 VanDerWaalsContact CA-O 3.25Å; V658-Q902 WeakPolarHBondContact CA-O 3.22Å; V658-Q902 WeakPolarHBondContact CG2-O 3.4Å; K659-Q902 HydrophobicContact CG-CB 4.04Å; K659-Q902 PolarHBondContact N-O 3.06Å; K659-Q902 PolarHBondContact O-N 3.45Å; K659-Q902 VanDerWaalsContact O-N 3.12Å; W751-Q902 HydrophobicContact CE3-CB 3.94Å; W751-Q902 HydrophobicContact CZ3-CB 4.34Å; W751-Q902 WeakPolarHBondContact CZ3-O 3.38Å; F752-Q902 CarbonylContact O-C 3.56Å; F752-Q902 VanDerWaalsContact O-CA 3.27Å; F752-Q902 WeakPolarHBondContact O-CA 3.41Å; I753-Q902 HydrophobicContact CG1-CG 4.16Å
903L95.6Very high76.4Confident0 Ų057.3 Ų57.30%029%0.294CS..EExtended strand (participates in β ladder)trans-113.6123.4-174.1-178.562.4000109.6I655 E657 V658 W692 I709 F752 M754 M905I655-L903 HydrophobicContact CG2-CD1 4.18Å; E657-L903 CarbonylContact O-C 3.59Å; V658-L903 HydrophobicContact CB-CD1 3.92Å; W692-L903 HydrophobicContact CZ3-CD1 3.95Å; I709-L903 HydrophobicContact CG2-CD2 3.7Å; F752-L903 PolarHBondContact N-O 2.82Å; F752-L903 PolarHBondContact O-N 3.19Å; M754-L903 HydrophobicContact CE-CD2 4.1Å; M754-L903 HydrophobicContact CG-CB 4.19Å; M754-L903 HydrophobicContact SD-CB 4.09Å; M754-L903 HydrophobicContact SD-CD2 4.38Å; L903-M905 HydrophobicContact CB-CE 4.25Å; L903-M905 HydrophobicContact CD2-CE 3.34Å; L903-M905 HydrophobicContact CG-CE 3.56Å
904R95.3Very high79.1Confident50 Ų5049.4 Ų49.419%0.18926%0.259CS..EExtended strand (participates in β ladder)trans-92.7128.9171.8-166.5173.674.5-131.3-6.6109.5Q656 E657 K750 W751Q656-R904 HydrophobicContact CB-CB 4.45Å; Q656-R904 WeakPolarHBondContact CB-O 3.41Å; Q656-R904 PolarHBondContact N-O 3.28Å; E657-R904 HydrophobicContact CG-CB 4.09Å; E657-R904 PolarHBondContact N-O 3.32Å; E657-R904 PolarHBondContact O-N 3.32Å; E657-R904 IonicContact OE1-CZ 2.83Å; E657-R904 IonicContact OE1-NH1 2.71Å; E657-R904 PolarHBondContact OE1-NH1 2.72Å; E657-R904 IonicContact OE1-NH2 3.23Å; E657-R904 IonicContact OE2-CZ 3.87Å; E657-R904 VanDerWaalsContact OE2-CZ 3.23Å; E657-R904 IonicContact OE2-NH1 3.54Å; E657-R904 PolarHBondContact OE2-NH1 3.4Å; E657-R904 VanDerWaalsContact OE2-NH1 3.09Å; E657-R904 IonicContact OE2-NH2 2.81Å; E657-R904 PolarHBondContact OE2-NH2 3.25Å; K750-R904 WeakPolarHBondContact O-CA 3.35Å; W751-R904 HydrophobicContact CD2-CB 3.78Å; W751-R904 HydrophobicContact CD2-CG 4.24Å; W751-R904 HydrophobicContact CE3-CB 3.77Å; W751-R904 HydrophobicContact CG-CB 4.4Å; W751-R904 HydrophobicContact CG-CG 4.47Å; W751-R904 HydrophobicContact CH2-CB 4.11Å; W751-R904 HydrophobicContact CZ2-CB 4.12Å; W751-R904 HydrophobicContact CZ3-CB 3.93Å
905M94Very high82.1Confident0 Ų042 Ų420%022%0.221CC..EExtended strand (participates in β ladder)trans-143.9162.3176.162.3-1706900110.7S654 I655 I709 I737 Q749 K750 F752 L903 I907S654-M905 CarbonylContact O-C 3.55Å; S654-M905 WeakPolarHBondContact O-CA 3.32Å; S654-M905 VanDerWaalsContact O-CB 3.31Å; S654-M905 WeakPolarHBondContact O-CB 3.43Å; I655-M905 HydrophobicContact CD1-CB 4.21Å; I709-M905 HydrophobicContact CD1-CE 3.51Å; I709-M905 HydrophobicContact CD1-SD 3.43Å; I709-M905 WeakPolarHBondContact CD1-SD 3.4Å; I737-M905 HydrophobicContact CD1-SD 3.99Å; Q749-M905 WeakPolarHBondContact CA-O 3.42Å; K750-M905 PolarHBondContact N-O 2.84Å; K750-M905 PolarHBondContact O-N 2.84Å; K750-M905 VanDerWaalsContact O-N 3.17Å; F752-M905 HydrophobicContact CD2-CE 4.03Å; F752-M905 HydrophobicContact CD2-CG 3.68Å; F752-M905 HydrophobicContact CD2-SD 3.83Å; F752-M905 HydrophobicContact CE2-CG 3.5Å; F752-M905 VanDerWaalsContact CE2-CG 3.5Å; F752-M905 HydrophobicContact CE2-SD 3.82Å; L903-M905 HydrophobicContact CB-CE 4.25Å; L903-M905 HydrophobicContact CD2-CE 3.34Å; L903-M905 HydrophobicContact CG-CE 3.56Å; M905-I907 HydrophobicContact CG-CD1 4.12Å; M905-I907 HydrophobicContact CG-CG1 4.13Å; M905-I907 HydrophobicContact SD-CD1 3.75Å; M905-I907 HydrophobicContact SD-CG1 4.14Å
906M91.2Very high84.7Confident44 Ų4437.3 Ų37.322%0.21720%0.197CC..EExtended strand (participates in β ladder)trans-113.3140.4163.7-46.1-163.2-52.300108.4I653 S654 Q656 I748 Q749I653-M906 CarbonylContact C-O 3.54Å; I653-M906 WeakPolarHBondContact CA-O 3.37Å; S654-M906 PolarHBondContact N-O 3.27Å; S654-M906 PolarHBondContact O-N 2.88Å; Q656-M906 VanDerWaalsContact NE2-CG 3.3Å; Q656-M906 PolarHBondContact NE2-SD 3.41Å; I748-M906 WeakPolarHBondContact O-CA 3.09Å; Q749-M906 HydrophobicContact CB-CG 3.78Å; Q749-M906 HydrophobicContact CB-SD 3.94Å; Q749-M906 HydrophobicContact CG-CG 3.76Å; Q749-M906 HydrophobicContact CG-SD 3.94Å
907I90.2Very high87.2Confident10 Ų1035.3 Ų35.35%0.05118%0.179CC..EExtended strand (participates in β ladder)trans-135.5134.2-179.7-53.8160.7000107.8L651 R652 M707 I737 E747 I748 F752 M905L651-I907 HydrophobicContact CD1-CG2 3.74Å; R652-I907 CarbonylContact O-C 3.52Å; R652-I907 WeakPolarHBondContact O-CA 3.46Å; M707-I907 HydrophobicContact CE-CD1 3.55Å; M707-I907 HydrophobicContact CE-CG1 3.91Å; M707-I907 HydrophobicContact CE-CG2 4.03Å; I737-I907 HydrophobicContact CD1-CD1 3.34Å; E747-I907 WeakPolarHBondContact CA-O 3.31Å; I748-I907 PolarHBondContact N-O 3.01Å; I748-I907 PolarHBondContact O-N 3.16Å; F752-I907 HydrophobicContact CE2-CD1 4.36Å; F752-I907 HydrophobicContact CZ-CD1 4.17Å; M905-I907 HydrophobicContact CG-CD1 4.12Å; M905-I907 HydrophobicContact CG-CG1 4.13Å; M905-I907 HydrophobicContact SD-CD1 3.75Å; M905-I907 HydrophobicContact SD-CG1 4.14Å
908H88.7Confident89.2Confident21 Ų2130 Ų3010%0.09717%0.165CC..EExtended strand (participates in β ladder)trans-133.5101.4170.4176.9-83.4000108.4L651 R652 Q910L651-H908 WeakPolarHBondContact CA-O 3.47Å; R652-H908 HydrophobicContact CB-CB 4.34Å; R652-H908 PolarHBondContact N-O 2.81Å; R652-H908 PolarHBondContact NH2-CE1 3.18Å; R652-H908 VanDerWaalsContact NH2-CE1 3.29Å; R652-H908 PolarHBondContact NH2-ND1 3.03Å; R652-H908 PolarHBondContact O-N 2.99Å; H908-Q910 PolarHBondContact CE1-OE1 3.01Å
909Y89.3Confident91Very high12 Ų1224.5 Ų24.55%0.04714%0.137CC..EExtended strand (participates in β ladder)trans-97.6134.8173.2177.7-108.2000109V649 S650 L651 I704 L739 T911V649-Y909 HydrophobicContact CG1-CE2 3.54Å; S650-Y909 WeakPolarHBondContact O-CA 3.36Å; L651-Y909 HydrophobicContact CB-CD2 4.4Å; L651-Y909 HydrophobicContact CD1-CD2 4.24Å; I704-Y909 HydrophobicContact CD1-CE2 4.05Å; I704-Y909 HydrophobicContact CG1-CE2 3.94Å; L739-Y909 HydrophobicContact CB-CD1 4.44Å; L739-Y909 HydrophobicContact CB-CD2 4.47Å; L739-Y909 HydrophobicContact CB-CE1 4.32Å; L739-Y909 HydrophobicContact CB-CE2 4.32Å; L739-Y909 HydrophobicContact CD1-CD2 4.04Å; L739-Y909 HydrophobicContact CD1-CE2 4.17Å; L739-Y909 HydrophobicContact CD2-CD2 4.35Å; L739-Y909 HydrophobicContact CD2-CG 4.14Å; Y909-T911 PolarHBondContact OH-OG1 3Å
910Q86.8Confident91.9Very high28 Ų2822.5 Ų22.513%0.13112%0.124CC..EExtended strand (participates in β ladder)trans-145.5124.5179-178.4-179.95.800110.5S650 H908 V912S650-Q910 PolarHBondContact N-O 2.97Å; S650-Q910 PolarHBondContact O-N 2.89Å; S650-Q910 PolarHBondContact OG-O 3.46Å; H908-Q910 PolarHBondContact CE1-OE1 3.01Å; Q910-V912 HydrophobicContact CG-CG2 3.88Å
911T87.8Confident92.3Very high14 Ų1424.9 Ų24.99%0.08614%0.137CC..EExtended strand (participates in β ladder)trans-100.2131.9165.5-51.70000108.1K647 D648 V649 D741 Y909K647-T911 HydrophobicContact CB-CG2 4.31Å; K647-T911 HydrophobicContact CD-CG2 3.92Å; D648-T911 CarbonylContact O-C 3.49Å; D648-T911 WeakPolarHBondContact O-CA 3.21Å; V649-T911 HydrophobicContact CG2-CG2 4.35Å; D741-T911 WeakPolarHBondContact OD1-CB 3.46Å; D741-T911 PolarHBondContact OD1-OG1 3.03Å; Y909-T911 PolarHBondContact OH-OG1 3Å
912V90Very high92.4Very high0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-121.3119175.2-176.10000108.5K647 D648 Q910 I914 Y1211 A1214K647-V912 WeakPolarHBondContact CA-O 3.26Å; D648-V912 PolarHBondContact N-O 3.46Å; D648-V912 PolarHBondContact O-N 3.33Å; Q910-V912 HydrophobicContact CG-CG2 3.88Å; V912-I914 HydrophobicContact CG1-CG1 4.02Å; V912-Y1211 HydrophobicContact CB-CE2 4.37Å; V912-Y1211 HydrophobicContact CG2-CE2 4.1Å; V912-A1214 HydrophobicContact CG1-CB 3.72Å
913D91.1Very high92.4Very high58 Ų5827.7 Ų27.731%0.3115%0.148SC..EExtended strand (participates in β ladder)trans-84.8119.8173.2-64.1-22000108.8K647 L1247K647-D913 WeakPolarHBondContact CD-OD1 3.46Å; K647-D913 WeakPolarHBondContact CE-OD1 3.46Å; K647-D913 WeakPolarHBondContact CG-OD1 3.27Å; K647-D913 VanDerWaalsContact NZ-CG 3.29Å; K647-D913 IonicContact NZ-OD1 3.91Å; K647-D913 PolarHBondContact NZ-OD1 3.12Å; K647-D913 IonicContact NZ-OD2 3.67Å; K647-D913 PolarHBondContact NZ-OD2 3.46Å; K647-D913 VanDerWaalsContact NZ-OD2 3.13Å; D913-L1247 HydrophobicContact CB-CD2 3.84Å
914I92.8Very high92.4Very high1 Ų129.9 Ų29.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-113124.1-172.5-60161.5000108.1Q645 H646 D648 V912 Y1211 A1214Q645-I914 VanDerWaalsContact CA-O 3.27Å; Q645-I914 WeakPolarHBondContact CA-O 3.46Å; Q645-I914 VanDerWaalsContact CG-O 3.28Å; Q645-I914 WeakPolarHBondContact CG-O 3.44Å; H646-I914 PolarHBondContact N-O 3.13Å; H646-I914 WeakPolarHBondContact NE2-CD1 3.41Å; H646-I914 PolarHBondContact O-N 3.35Å; D648-I914 HydrophobicContact CB-CD1 3.8Å; V912-I914 HydrophobicContact CG1-CG1 4.02Å; I914-Y1211 HydrophobicContact CD1-CD2 4.02Å; I914-A1214 HydrophobicContact CB-CB 4.42Å; I914-A1214 HydrophobicContact CG1-CB 3.88Å
915L94.1Very high92.4Very high0 Ų032.2 Ų32.20%017%0.17CC..  trans-82.9160.1172.9-65177000110.9Q645 I917 C919 Y920 I1243 L1246 L1247Q645-L915 HydrophobicContact CG-CD2 4.23Å; L915-I917 PolarHBondContact O-N 2.86Å; L915-C919 HydrophobicContact CB-CB 3.85Å; L915-C919 HydrophobicContact CD1-CB 3.9Å; L915-Y920 HydrophobicContact CB-CE2 3.96Å; L915-Y920 PolarHBondContact N-OH 3.08Å; L915-Y920 VanDerWaalsContact N-OH 3.08Å; L915-Y920 WeakPolarHBondContact O-CE2 3.42Å; L915-I1243 HydrophobicContact CD1-CG2 3.99Å; L915-L1246 HydrophobicContact CD1-CB 3.66Å; L915-L1246 HydrophobicContact CD1-CD1 4.23Å; L915-L1246 HydrophobicContact CD2-CB 4.39Å; L915-L1247 HydrophobicContact CD1-CD2 4.39Å; L915-L1247 HydrophobicContact CD1-CG 4.18Å; L915-L1247 HydrophobicContact CD2-CD2 3.84Å; L915-L1247 HydrophobicContact CD2-CG 4.27Å; L915-L1247 HydrophobicContact CG-CD2 3.81Å; L915-L1247 HydrophobicContact CG-CG 4.15Å
916P94.1Very high92.5Very high6 Ų632.4 Ų32.44%0.03917%0.171CC..  trans-49.1138.1166.1-28.236.6000111.7N643 A918 C919N643-P916 WeakPolarHBondContact O-CB 3.35Å; N643-P916 WeakPolarHBondContact O-CG 3.3Å; P916-A918 PolarHBondContact O-N 3.15Å; P916-C919 VanDerWaalsContact O-CB 3.28Å; P916-C919 WeakPolarHBondContact O-CB 3.36Å; P916-C919 PolarHBondContact O-N 3.25Å
917I92.4Very high92.7Very high36 Ų3630.4 Ų30.419%0.18516%0.161CC..G310 helixtrans-52.1-35.9-172-174.158.4000114.1E642 L915 C919 Y920 L1209 F1213E642-I917 PolarHBondContact O-N 3.47Å; L915-I917 PolarHBondContact O-N 2.86Å; I917-C919 PolarHBondContact O-N 2.91Å; I917-Y920 HydrophobicContact CD1-CD2 4.39Å; I917-Y920 PolarHBondContact O-N 3.35Å; I917-L1209 HydrophobicContact CD1-CB 4.1Å; I917-L1209 HydrophobicContact CD1-CD2 3.84Å; I917-L1209 HydrophobicContact CD1-CG 3.74Å; I917-L1209 HydrophobicContact CG1-CD2 4.33Å; I917-F1213 HydrophobicContact CD1-CD2 3.78Å; I917-F1213 HydrophobicContact CD1-CE2 4.15Å
918A92.3Very high92.9Very high60 Ų6033.3 Ų33.350%0.49617%0.174SC..G310 helixtrans-59.8-26178.300000114.1P916 Y920 N921P916-A918 PolarHBondContact O-N 3.15Å; A918-Y920 PolarHBondContact O-N 3.48Å; A918-N921 WeakPolarHBondContact O-CB 3.27Å; A918-N921 VanDerWaalsContact O-CG 3.31Å; A918-N921 PolarHBondContact O-N 3.18Å; A918-N921 PolarHBondContact O-ND2 2.84Å
919C93.9Very high93.2Very high30 Ų3036.4 Ų36.420%0.20319%0.194CC..G310 helixtrans-66.3-22.5176-62.90000112.8L915 P916 I917 L1246L915-C919 HydrophobicContact CB-CB 3.85Å; L915-C919 HydrophobicContact CD1-CB 3.9Å; P916-C919 VanDerWaalsContact O-CB 3.28Å; P916-C919 WeakPolarHBondContact O-CB 3.36Å; P916-C919 PolarHBondContact O-N 3.25Å; I917-C919 PolarHBondContact O-N 2.91Å; C919-L1246 HydrophobicContact CB-CD1 4.07Å
920Y96.1Very high93.4Very high1 Ų137.7 Ų37.70%0.00420%0.2CC..G310 helixtrans-91.70.9179.3-58.5-70000113.8L915 I917 A918 Q922 L923 K924 F1213 A1214 I1243L915-Y920 HydrophobicContact CB-CE2 3.96Å; L915-Y920 PolarHBondContact N-OH 3.08Å; L915-Y920 VanDerWaalsContact N-OH 3.08Å; L915-Y920 WeakPolarHBondContact O-CE2 3.42Å; I917-Y920 HydrophobicContact CD1-CD2 4.39Å; I917-Y920 PolarHBondContact O-N 3.35Å; A918-Y920 PolarHBondContact O-N 3.48Å; Y920-Q922 VanDerWaalsContact C-N 3.31Å; Y920-Q922 PolarHBondContact O-N 3.32Å; Y920-L923 CarbonylContact O-C 3.54Å; Y920-L923 WeakPolarHBondContact O-CA 3.28Å; Y920-L923 WeakPolarHBondContact O-CB 3.27Å; Y920-L923 PolarHBondContact O-N 3.07Å; Y920-K924 PolarHBondContact O-N 3.43Å; Y920-F1213 HydrophobicContact CD1-CB 3.74Å; Y920-F1213 HydrophobicContact CD1-CG 4.48Å; Y920-F1213 HydrophobicContact CD2-CB 3.73Å; Y920-F1213 HydrophobicContact CD2-CG 4.41Å; Y920-F1213 HydrophobicContact CE1-CB 4.12Å; Y920-F1213 HydrophobicContact CE2-CB 4.12Å; Y920-F1213 HydrophobicContact CG-CB 3.53Å; Y920-F1213 HydrophobicContact CG-CD2 4.42Å; Y920-F1213 HydrophobicContact CG-CG 4.02Å; Y920-A1214 WeakPolarHBondContact OH-CB 3.43Å; Y920-I1243 HydrophobicContact CD1-CD1 4.01Å; Y920-I1243 HydrophobicContact CD1-CG1 4.48Å; Y920-I1243 HydrophobicContact CD1-CG2 4.49Å; Y920-I1243 HydrophobicContact CE1-CD1 4.45Å; Y920-I1243 HydrophobicContact CE1-CG2 3.93Å
921N94.7Very high93.8Very high94 Ų9437.7 Ų37.750%0.50320%0.199SC..Hα-helixtrans-55.5-38.8-173.6-79.1-17.5000114.3A918 K924 E925A918-N921 WeakPolarHBondContact O-CB 3.27Å; A918-N921 VanDerWaalsContact O-CG 3.31Å; A918-N921 PolarHBondContact O-N 3.18Å; A918-N921 PolarHBondContact O-ND2 2.84Å; N921-K924 WeakPolarHBondContact O-CB 3.48Å; N921-K924 PolarHBondContact O-N 3.06Å; N921-E925 PolarHBondContact O-N 3.49Å; N921-E925 VanDerWaalsContact O-N 3.12Å
922Q94.8Very high94.2Very high116 Ų11639 Ų3954%0.54221%0.205SC..Hα-helixtrans-67.9-38.8176.5-61.9-178.3-28.600112Y920 E925 F926 L1239Y920-Q922 VanDerWaalsContact C-N 3.31Å; Y920-Q922 PolarHBondContact O-N 3.32Å; Q922-E925 PolarHBondContact O-N 3.25Å; Q922-F926 PolarHBondContact O-N 3.3Å; Q922-L1239 HydrophobicContact CB-CD2 3.55Å; Q922-L1239 HydrophobicContact CG-CD2 4.37Å
923L95.8Very high94.4Very high1 Ų141.1 Ų41.11%0.00522%0.217CC..Hα-helixtrans-68.3-38.2174.3-179.762.7000111.2Y920 E925 F926 I927 F1213 T1217 L1220 L1236 I1243Y920-L923 CarbonylContact O-C 3.54Å; Y920-L923 WeakPolarHBondContact O-CA 3.28Å; Y920-L923 WeakPolarHBondContact O-CB 3.27Å; Y920-L923 PolarHBondContact O-N 3.07Å; L923-E925 VanDerWaalsContact C-N 3.35Å; L923-E925 PolarHBondContact O-N 3.39Å; L923-F926 PolarHBondContact O-N 3.06Å; L923-I927 HydrophobicContact CD1-CG1 4.12Å; L923-I927 HydrophobicContact CG-CG1 4.31Å; L923-I927 WeakPolarHBondContact O-CB 3.47Å; L923-I927 VanDerWaalsContact O-CG1 3.22Å; L923-I927 WeakPolarHBondContact O-CG1 3.35Å; L923-I927 PolarHBondContact O-N 2.97Å; L923-F1213 HydrophobicContact CD2-CD1 4.06Å; L923-F1213 HydrophobicContact CG-CD1 4.31Å; L923-T1217 WeakPolarHBondContact CD2-OG1 3.43Å; L923-L1220 HydrophobicContact CD1-CD1 4.36Å; L923-L1236 HydrophobicContact CD1-CD1 4.34Å; L923-I1243 HydrophobicContact CB-CD1 4.09Å; L923-I1243 HydrophobicContact CD2-CD1 3.94Å
924K95.5Very high94.5Very high46 Ų4638.4 Ų38.420%0.220%0.202CC..Hα-helixtrans-54.8-50.6172.7177.6-173.7168.4-178.60110.8Y920 N921 I927 K928 L961 D963 F1213Y920-K924 PolarHBondContact O-N 3.43Å; N921-K924 WeakPolarHBondContact O-CB 3.48Å; N921-K924 PolarHBondContact O-N 3.06Å; K924-I927 PolarHBondContact O-N 3.21Å; K924-K928 WeakPolarHBondContact O-CB 3.32Å; K924-K928 PolarHBondContact O-N 3.3Å; K924-L961 HydrophobicContact CD-CD1 4.04Å; K924-L961 HydrophobicContact CD-CD2 4.07Å; K924-L961 HydrophobicContact CG-CD1 4Å; K924-D963 WeakPolarHBondContact CE-OD1 3.16Å; K924-D963 WeakPolarHBondContact CE-OD2 3.44Å; K924-D963 IonicContact NZ-OD1 2.89Å; K924-D963 PolarHBondContact NZ-OD1 2.89Å; K924-D963 IonicContact NZ-OD2 2.9Å; K924-D963 PolarHBondContact NZ-OD2 3.3Å; K924-F1213 HydrophobicContact CB-CE1 4.23Å; K924-F1213 HydrophobicContact CB-CE2 4.41Å; K924-F1213 HydrophobicContact CB-CZ 3.69Å; K924-F1213 HydrophobicContact CG-CZ 4.04Å
925E95.6Very high94.6Very high98 Ų9838.5 Ų38.546%0.45820%0.203SC..Hα-helixtrans-67.9-37.6-177.8-167.458.5-15500112.3N921 Q922 L923 K928 T929N921-E925 PolarHBondContact O-N 3.49Å; N921-E925 VanDerWaalsContact O-N 3.12Å; Q922-E925 PolarHBondContact O-N 3.25Å; L923-E925 VanDerWaalsContact C-N 3.35Å; L923-E925 PolarHBondContact O-N 3.39Å; E925-K928 PolarHBondContact O-N 2.86Å; E925-T929 WeakPolarHBondContact O-CG2 3.41Å; E925-T929 PolarHBondContact O-N 2.82Å; E925-T929 PolarHBondContact O-OG1 2.87Å
926F96.1Very high94.5Very high5 Ų543.8 Ų43.82%0.02222%0.223CC..Hα-helixtrans-60.1-45.6171.1179.6-84.2000111.8Q922 L923 T929 K930 L934 I1233 E1235 L1236 L1239Q922-F926 PolarHBondContact O-N 3.3Å; L923-F926 PolarHBondContact O-N 3.06Å; F926-T929 PolarHBondContact O-N 3.02Å; F926-T929 PolarHBondContact O-OG1 3.33Å; F926-K930 HydrophobicContact CD2-CD 3.72Å; F926-K930 HydrophobicContact CE1-CB 4.29Å; F926-K930 HydrophobicContact CE2-CB 4.28Å; F926-K930 HydrophobicContact CE2-CD 3.52Å; F926-K930 HydrophobicContact CZ-CB 4.11Å; F926-K930 HydrophobicContact CZ-CD 4.16Å; F926-K930 WeakPolarHBondContact O-CA 3.42Å; F926-K930 WeakPolarHBondContact O-CB 3.41Å; F926-K930 PolarHBondContact O-N 2.88Å; F926-L934 HydrophobicContact CE1-CB 4.5Å; F926-L934 HydrophobicContact CE1-CD2 3.96Å; F926-I1233 HydrophobicContact CZ-CB 4.13Å; F926-I1233 HydrophobicContact CZ-CG2 4.16Å; F926-E1235 HydrophobicContact CD2-CB 4.29Å; F926-E1235 HydrophobicContact CE2-CB 4.36Å; F926-L1236 HydrophobicContact CD1-CD1 4.36Å; F926-L1236 HydrophobicContact CE1-CB 4.31Å; F926-L1236 HydrophobicContact CE1-CD1 4.07Å; F926-L1236 HydrophobicContact CE2-CB 4.11Å; F926-L1236 HydrophobicContact CZ-CB 3.81Å; F926-L1236 HydrophobicContact CZ-CD1 4.43Å; F926-L1236 HydrophobicContact CZ-CG 4.49Å; F926-L1239 HydrophobicContact CB-CD1 3.62Å; F926-L1239 HydrophobicContact CD2-CD1 3.99Å; F926-L1239 HydrophobicContact CG-CD1 3.93Å
927I95.4Very high94.4Very high1 Ų145.4 Ų45.41%0.00523%0.231CC..Hα-helixtrans-64.3-46.1178.7-69.6-66.2000110.8L923 K924 T929 Y931 L934 F954 F958 L1216L923-I927 HydrophobicContact CD1-CG1 4.12Å; L923-I927 HydrophobicContact CG-CG1 4.31Å; L923-I927 WeakPolarHBondContact O-CB 3.47Å; L923-I927 VanDerWaalsContact O-CG1 3.22Å; L923-I927 WeakPolarHBondContact O-CG1 3.35Å; L923-I927 PolarHBondContact O-N 2.97Å; K924-I927 PolarHBondContact O-N 3.21Å; I927-T929 VanDerWaalsContact C-N 3.29Å; I927-T929 PolarHBondContact O-N 3.45Å; I927-Y931 VanDerWaalsContact O-CB 3.26Å; I927-Y931 WeakPolarHBondContact O-CB 3.41Å; I927-Y931 PolarHBondContact O-N 2.79Å; I927-Y931 VanDerWaalsContact O-N 3.11Å; I927-L934 HydrophobicContact CD1-CD2 3.81Å; I927-F954 HydrophobicContact CD1-CE1 3.67Å; I927-F954 HydrophobicContact CD1-CZ 3.89Å; I927-F954 HydrophobicContact CG2-CD1 4.16Å; I927-F954 HydrophobicContact CG2-CE1 3.89Å; I927-F958 HydrophobicContact CG2-CE2 3.89Å; I927-L1216 HydrophobicContact CD1-CD2 3.83Å; I927-L1216 HydrophobicContact CG1-CD2 4.01Å
928K94.1Very high94.4Very high72 Ų7243.8 Ų43.831%0.31322%0.222SC..Hα-helixtrans-54.1-43175.9174.9167.9-172.5178.10113K924 E925 D963 L964K924-K928 WeakPolarHBondContact O-CB 3.32Å; K924-K928 PolarHBondContact O-N 3.3Å; E925-K928 PolarHBondContact O-N 2.86Å; K928-D963 IonicContact NZ-OD2 3.21Å; K928-D963 PolarHBondContact NZ-OD2 3.37Å; K928-L964 HydrophobicContact CB-CD2 4.01Å; K928-L964 HydrophobicContact CD-CD2 4.09Å; K928-L964 HydrophobicContact CG-CD2 3.7Å
929T93.7Very high94.5Very high85 Ų8542.6 Ų42.652%0.52121%0.207SC..Hα-helixtrans-90.8-29.6-173.453.60000114.4E925 F926 I927E925-T929 WeakPolarHBondContact O-CG2 3.41Å; E925-T929 PolarHBondContact O-N 2.82Å; E925-T929 PolarHBondContact O-OG1 2.87Å; F926-T929 PolarHBondContact O-N 3.02Å; F926-T929 PolarHBondContact O-OG1 3.33Å; I927-T929 VanDerWaalsContact C-N 3.29Å; I927-T929 PolarHBondContact O-N 3.45Å
930K94.9Very high94.3Very high39 Ų3946.4 Ų46.417%0.1723%0.231CC..Hα-helixtrans-130.112-165.7-65.2166.4172.4-169.20114.9F926 L932 D933 L934 Q1232 E1235F926-K930 HydrophobicContact CD2-CD 3.72Å; F926-K930 HydrophobicContact CE1-CB 4.29Å; F926-K930 HydrophobicContact CE2-CB 4.28Å; F926-K930 HydrophobicContact CE2-CD 3.52Å; F926-K930 HydrophobicContact CZ-CB 4.11Å; F926-K930 HydrophobicContact CZ-CD 4.16Å; F926-K930 WeakPolarHBondContact O-CA 3.42Å; F926-K930 WeakPolarHBondContact O-CB 3.41Å; F926-K930 PolarHBondContact O-N 2.88Å; K930-L932 PolarHBondContact O-N 2.88Å; K930-D933 PolarHBondContact O-N 3.13Å; K930-L934 WeakPolarHBondContact O-CB 3.33Å; K930-L934 PolarHBondContact O-N 2.8Å; K930-Q1232 VanDerWaalsContact CD-O 3.27Å; K930-Q1232 WeakPolarHBondContact CD-O 3.21Å; K930-Q1232 VanDerWaalsContact CE-O 3.26Å; K930-Q1232 WeakPolarHBondContact CE-O 3.41Å; K930-Q1232 PolarHBondContact NZ-O 3.36Å; K930-E1235 IonicContact NZ-OE1 2.71Å; K930-E1235 PolarHBondContact NZ-OE1 3.03Å; K930-E1235 IonicContact NZ-OE2 3.82Å; K930-E1235 PolarHBondContact NZ-OE2 2.85Å
931Y95.3Very high94Very high28 Ų2851 Ų5111%0.1125%0.251CS..Hα-helixtrans-52.9-39.7179.571.3-87.1000113.5I927 L934 I935 F958 F969I927-Y931 VanDerWaalsContact O-CB 3.26Å; I927-Y931 WeakPolarHBondContact O-CB 3.41Å; I927-Y931 PolarHBondContact O-N 2.79Å; I927-Y931 VanDerWaalsContact O-N 3.11Å; Y931-L934 PolarHBondContact O-N 3.11Å; Y931-I935 HydrophobicContact CD2-CD1 4.31Å; Y931-I935 WeakPolarHBondContact O-CB 3.43Å; Y931-I935 WeakPolarHBondContact O-CG1 3.35Å; Y931-I935 PolarHBondContact O-N 3.31Å; Y931-F958 HydrophobicContact CD1-CE1 4.39Å; Y931-F958 AromaticContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CE1-CE1 4.31Å; Y931-F958 HydrophobicContact CE1-CZ 4.02Å; Y931-F958 HydrophobicContact CG-CE2 4.48Å; Y931-F958 AromaticContact CG-CZ 3.92Å; Y931-F958 HydrophobicContact CG-CZ 3.92Å; Y931-F969 AromaticContact CD2-CD2 3.64Å; Y931-F969 HydrophobicContact CD2-CD2 3.64Å; Y931-F969 AromaticContact CD2-CE2 3.64Å; Y931-F969 HydrophobicContact CD2-CE2 3.64Å; Y931-F969 AromaticContact CE2-CD2 3.49Å; Y931-F969 HydrophobicContact CE2-CD2 3.49Å; Y931-F969 VanDerWaalsContact CE2-CD2 3.49Å; Y931-F969 AromaticContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CG-CD2 4.37Å; Y931-F969 HydrophobicContact CG-CE2 4.46Å
932L95Very high93.9Very high43 Ų4347.3 Ų47.323%0.22523%0.231CC..Hα-helixtrans-68-46.3-173.8-172.165000111.2K930 L934 I935 R936 V972 L973 E976K930-L932 PolarHBondContact O-N 2.88Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 2.81Å; L932-I935 PolarHBondContact O-N 2.8Å; L932-R936 VanDerWaalsContact O-CB 3.25Å; L932-R936 WeakPolarHBondContact O-CB 3.4Å; L932-R936 PolarHBondContact O-N 2.81Å; L932-V972 HydrophobicContact CD1-CG1 4.37Å; L932-V972 HydrophobicContact CD2-CG1 4.09Å; L932-L973 HydrophobicContact CD1-CD1 4.25Å; L932-E976 HydrophobicContact CD1-CB 4.26Å; L932-E976 HydrophobicContact CD1-CG 4.18Å
933D93.8Very high93.8Very high44 Ų4444.6 Ų44.624%0.23523%0.225CC..Hα-helixtrans-66.4-35.6174.7-73.2-43.7000112.1K930 R936 N937 Q1232 I1233K930-D933 PolarHBondContact O-N 3.13Å; D933-R936 IonicContact OD1-NH1 3.53Å; D933-R936 PolarHBondContact OD1-NH1 3.27Å; D933-N937 WeakPolarHBondContact O-CB 3.44Å; D933-N937 PolarHBondContact O-N 3.03Å; D933-N937 PolarHBondContact O-ND2 2.67Å; D933-Q1232 HydrophobicContact CB-CB 4.1Å; D933-I1233 HydrophobicContact CB-CG2 4.35Å
934L94.4Very high93.6Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-63.1-48.5174.5177.958.2000111.5F926 I927 K930 Y931 L932 N937 L938 F954 L1220 I1233 L1236F926-L934 HydrophobicContact CE1-CB 4.5Å; F926-L934 HydrophobicContact CE1-CD2 3.96Å; I927-L934 HydrophobicContact CD1-CD2 3.81Å; K930-L934 WeakPolarHBondContact O-CB 3.33Å; K930-L934 PolarHBondContact O-N 2.8Å; Y931-L934 PolarHBondContact O-N 3.11Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 2.81Å; L934-N937 PolarHBondContact O-N 2.86Å; L934-L938 HydrophobicContact CD1-CD1 3.54Å; L934-L938 HydrophobicContact CD1-CG 4.03Å; L934-L938 HydrophobicContact CG-CD1 3.73Å; L934-L938 WeakPolarHBondContact O-CB 3.35Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.43Å; L934-L938 PolarHBondContact O-N 3.35Å; L934-F954 HydrophobicContact CD2-CZ 3.95Å; L934-L1220 HydrophobicContact CD1-CD2 4.23Å; L934-L1220 HydrophobicContact CD2-CD1 4.21Å; L934-L1220 HydrophobicContact CD2-CD2 3.95Å; L934-L1220 HydrophobicContact CG-CD2 4.46Å; L934-I1233 HydrophobicContact CB-CG2 4.5Å; L934-L1236 HydrophobicContact CD1-CD2 3.63Å
935I94.6Very high93.4Very high4 Ų449.4 Ų49.42%0.02126%0.255CS..Hα-helixtrans-63.9-45.9177.3-68.1170.9000110.4Y931 L932 N937 L938 E939 F954 F969 L973 A993Y931-I935 HydrophobicContact CD2-CD1 4.31Å; Y931-I935 WeakPolarHBondContact O-CB 3.43Å; Y931-I935 WeakPolarHBondContact O-CG1 3.35Å; Y931-I935 PolarHBondContact O-N 3.31Å; L932-I935 PolarHBondContact O-N 2.8Å; I935-N937 VanDerWaalsContact C-N 3.28Å; I935-N937 PolarHBondContact O-N 2.92Å; I935-L938 PolarHBondContact O-N 3.31Å; I935-L938 VanDerWaalsContact O-N 3.16Å; I935-E939 VanDerWaalsContact O-CB 3.27Å; I935-E939 WeakPolarHBondContact O-CB 3.49Å; I935-E939 PolarHBondContact O-N 2.95Å; I935-F954 HydrophobicContact CD1-CD2 4.22Å; I935-F954 HydrophobicContact CD1-CE1 4.48Å; I935-F954 HydrophobicContact CD1-CE2 4.15Å; I935-F954 HydrophobicContact CD1-CG 4.44Å; I935-F954 HydrophobicContact CD1-CZ 4.28Å; I935-F954 HydrophobicContact CG1-CD2 4.47Å; I935-F954 HydrophobicContact CG1-CE2 3.95Å; I935-F954 HydrophobicContact CG1-CZ 4.08Å; I935-F969 HydrophobicContact CD1-CE2 4.03Å; I935-F969 HydrophobicContact CD1-CZ 4.33Å; I935-L973 HydrophobicContact CD1-CD1 4.31Å; I935-L973 HydrophobicContact CD1-CD2 4.24Å; I935-L973 HydrophobicContact CG2-CD1 4.02Å; I935-A993 HydrophobicContact CG2-CB 3.53Å
936R92.7Very high93.3Very high111 Ų11147 Ų4742%0.41924%0.244SC..Hα-helixtrans-55.1-40177.6-175-174.1-76.1148.2-14112.6L932 D933 P940 E976L932-R936 VanDerWaalsContact O-CB 3.25Å; L932-R936 WeakPolarHBondContact O-CB 3.4Å; L932-R936 PolarHBondContact O-N 2.81Å; D933-R936 IonicContact OD1-NH1 3.53Å; D933-R936 PolarHBondContact OD1-NH1 3.27Å; R936-P940 WeakPolarHBondContact O-CD 3.27Å; R936-E976 IonicContact CZ-OE1 3Å; R936-E976 VanDerWaalsContact CZ-OE1 3.26Å; R936-E976 IonicContact NE-OE1 3.96Å; R936-E976 PolarHBondContact NE-OE1 2.84Å; R936-E976 IonicContact NH2-OE1 3.03Å; R936-E976 PolarHBondContact NH2-OE1 2.75Å; R936-E976 IonicContact NH2-OE2 3.64Å; R936-E976 PolarHBondContact NH2-OE2 2.87Å
937N91.8Very high93.2Very high39 Ų3948.2 Ų48.221%0.20925%0.249CC..Hα-helixtrans-79.8-31.7178.1-79.9-75.6000114.1D933 L934 I935 T1230 I1233D933-N937 WeakPolarHBondContact O-CB 3.44Å; D933-N937 PolarHBondContact O-N 3.03Å; D933-N937 PolarHBondContact O-ND2 2.67Å; L934-N937 PolarHBondContact O-N 2.86Å; I935-N937 VanDerWaalsContact C-N 3.28Å; I935-N937 PolarHBondContact O-N 2.92Å; N937-T1230 VanDerWaalsContact OD1-CG2 3.31Å; N937-T1230 WeakPolarHBondContact OD1-CG2 3.41Å; N937-I1233 HydrophobicContact CB-CD1 4.08Å
938L92.5Very high93.2Very high2 Ų251.7 Ų51.71%0.0127%0.265CS..Hα-helixtrans-77.7-47.8178.8-77.8168.5000112.2L934 I935 P940 K941 L942 L950 L1220 Y1223 I1227L934-L938 HydrophobicContact CD1-CD1 3.54Å; L934-L938 HydrophobicContact CD1-CG 4.03Å; L934-L938 HydrophobicContact CG-CD1 3.73Å; L934-L938 WeakPolarHBondContact O-CB 3.35Å; L934-L938 VanDerWaalsContact O-CG 3.3Å; L934-L938 WeakPolarHBondContact O-CG 3.43Å; L934-L938 PolarHBondContact O-N 3.35Å; I935-L938 PolarHBondContact O-N 3.31Å; I935-L938 VanDerWaalsContact O-N 3.16Å; L938-P940 VanDerWaalsContact C-CD 3.48Å; L938-K941 PolarHBondContact O-N 3.09Å; L938-L942 HydrophobicContact CB-CD1 4.17Å; L938-L950 HydrophobicContact CB-CD2 4.41Å; L938-L950 HydrophobicContact CD1-CD2 3.75Å; L938-L1220 HydrophobicContact CD1-CD2 3.75Å; L938-Y1223 VanDerWaalsContact CD2-CB 3.4Å; L938-Y1223 HydrophobicContact CD2-CD2 4.22Å; L938-Y1223 HydrophobicContact CD2-CG 4.08Å; L938-I1227 HydrophobicContact CD2-CD1 4.44Å; L938-I1227 HydrophobicContact CD2-CG2 3.58Å; L938-I1227 HydrophobicContact CG-CG2 4.26Å
939E92.6Very high93.2Very high36 Ų3651.2 Ų51.217%0.16826%0.264CS..G310 helixtrans-51.4-46.4-163.7-176.5178.4169.500114.5I935 K941 L942 K947 S992 A993I935-E939 VanDerWaalsContact O-CB 3.27Å; I935-E939 WeakPolarHBondContact O-CB 3.49Å; I935-E939 PolarHBondContact O-N 2.95Å; E939-K941 PolarHBondContact O-N 2.8Å; E939-L942 PolarHBondContact O-N 2.83Å; E939-L942 VanDerWaalsContact O-N 3.15Å; E939-K947 HydrophobicContact CG-CD 3.96Å; E939-K947 WeakPolarHBondContact O-CE 3.44Å; E939-K947 IonicContact OE1-NZ 2.71Å; E939-K947 PolarHBondContact OE1-NZ 3.01Å; E939-S992 WeakPolarHBondContact OE1-CA 3.42Å; E939-A993 VanDerWaalsContact CD-N 3.29Å; E939-A993 HydrophobicContact CG-CB 4.35Å; E939-A993 PolarHBondContact OE1-N 2.81Å; E939-A993 WeakPolarHBondContact OE2-CB 3.18Å; E939-A993 PolarHBondContact OE2-N 2.96Å
940P90.8Very high93.3Very high110 Ų11047.5 Ų47.571%0.71424%0.241SC*.G310 helixtrans-62.2-18.3-178.8-23.435.4000113.9R936 L938R936-P940 WeakPolarHBondContact O-CD 3.27Å; L938-P940 VanDerWaalsContact C-CD 3.48Å
941K90.4Very high93.3Very high96 Ų9645.7 Ų45.742%0.41723%0.233SC..G310 helixtrans-101.9-0.9-177.2-52.7-165.9-173.6-165.20113.4L938 E939 K1226 I1227 N1228L938-K941 PolarHBondContact O-N 3.09Å; E939-K941 PolarHBondContact O-N 2.8Å; K941-K1226 WeakPolarHBondContact CD-O 3.41Å; K941-K1226 WeakPolarHBondContact CE-O 3.37Å; K941-K1226 PolarHBondContact NZ-O 3.15Å; K941-I1227 HydrophobicContact CD-CG2 4.43Å; K941-N1228 PolarHBondContact NZ-OD1 3.39Å
942L92.7Very high93.4Very high17 Ų1745.7 Ų45.79%0.08924%0.238CC..  trans-104.2138-176.9-61.9-174.2000113.2L938 E939 Q946 K947 L950 Y1223L938-L942 HydrophobicContact CB-CD1 4.17Å; E939-L942 PolarHBondContact O-N 2.83Å; E939-L942 VanDerWaalsContact O-N 3.15Å; L942-Q946 HydrophobicContact CB-CB 4.17Å; L942-Q946 HydrophobicContact CD2-CB 4.23Å; L942-K947 HydrophobicContact CB-CG 3.69Å; L942-K947 HydrophobicContact CD1-CG 4.4Å; L942-K947 WeakPolarHBondContact O-CE 3.34Å; L942-L950 HydrophobicContact CD1-CD2 3.65Å; L942-Y1223 HydrophobicContact CD1-CE2 4.41Å; L942-Y1223 HydrophobicContact CD2-CD1 3.38Å; L942-Y1223 HydrophobicContact CD2-CD2 3.97Å; L942-Y1223 HydrophobicContact CD2-CE1 3.32Å; L942-Y1223 HydrophobicContact CD2-CE2 3.92Å; L942-Y1223 HydrophobicContact CD2-CG 3.75Å
943S93Very high93.5Very high60 Ų6043.7 Ų43.742%0.4223%0.227SC..  trans-71160.5166.368.30000111.7K945 Q946 K947S943-K945 VanDerWaalsContact C-N 3.29Å; S943-K945 PolarHBondContact O-N 2.89Å; S943-Q946 VanDerWaalsContact N-OE1 3.09Å; S943-Q946 WeakPolarHBondContact O-CA 3.37Å; S943-Q946 WeakPolarHBondContact O-CB 3.36Å; S943-Q946 PolarHBondContact O-N 3.45Å; S943-Q946 VanDerWaalsContact OG-CD 3.28Å; S943-Q946 WeakPolarHBondContact OG-CG 3.25Å; S943-Q946 PolarHBondContact OG-OE1 3.49Å; S943-K947 PolarHBondContact O-N 3Å
944A91.2Very high93.7Very high48 Ų4841.6 Ų41.640%0.39722%0.216SC..Hα-helixtrans-56.5-37.7-177.300000114.1K947 E948 N991A944-K947 PolarHBondContact O-N 3.46Å; A944-E948 PolarHBondContact O-N 3.09Å; A944-E948 VanDerWaalsContact O-N 3.1Å; A944-N991 HydrophobicContact CB-CB 4.24Å
945K90.9Very high93.8Very high100 Ų10041.6 Ų41.644%0.43522%0.216SC..Hα-helixtrans-65-39.6174.6-176.6179.1177.5-175.80111.8E747 S943 E948 E949E747-K945 IonicContact OE2-NZ 2.7Å; E747-K945 PolarHBondContact OE2-NZ 3.47Å; S943-K945 VanDerWaalsContact C-N 3.29Å; S943-K945 PolarHBondContact O-N 2.89Å; K945-E948 WeakPolarHBondContact O-CB 3.23Å; K945-E948 PolarHBondContact O-N 2.96Å; K945-E949 WeakPolarHBondContact CE-OE1 3.28Å; K945-E949 WeakPolarHBondContact O-CG 3.44Å; K945-E949 PolarHBondContact O-N 2.97Å
946Q93.2Very high93.9Very high47 Ų4742.3 Ų42.322%0.2222%0.22CC..Hα-helixtrans-72.7-35179.2-71.6170.9-46.700112.6L942 S943 L950 Y1223L942-Q946 HydrophobicContact CB-CB 4.17Å; L942-Q946 HydrophobicContact CD2-CB 4.23Å; S943-Q946 VanDerWaalsContact N-OE1 3.09Å; S943-Q946 WeakPolarHBondContact O-CA 3.37Å; S943-Q946 WeakPolarHBondContact O-CB 3.36Å; S943-Q946 PolarHBondContact O-N 3.45Å; S943-Q946 VanDerWaalsContact OG-CD 3.28Å; S943-Q946 WeakPolarHBondContact OG-CG 3.25Å; S943-Q946 PolarHBondContact OG-OE1 3.49Å; Q946-L950 WeakPolarHBondContact O-CB 3.49Å; Q946-L950 PolarHBondContact O-N 3.37Å; Q946-Y1223 HydrophobicContact CB-CE1 4.41Å; Q946-Y1223 VanDerWaalsContact CB-OH 3.24Å; Q946-Y1223 WeakPolarHBondContact CB-OH 3.33Å; Q946-Y1223 HydrophobicContact CG-CE1 4.33Å; Q946-Y1223 VanDerWaalsContact CG-OH 3.25Å; Q946-Y1223 WeakPolarHBondContact CG-OH 3.4Å
947K94.6Very high94.1Very high30 Ų3037 Ų3713%0.1320%0.2CC..Hα-helixtrans-59.8-47.2169.2-66.2-173.3-172.6-168.10110.3E939 L942 S943 A944 L950 T951 N991E939-K947 HydrophobicContact CG-CD 3.96Å; E939-K947 WeakPolarHBondContact O-CE 3.44Å; E939-K947 IonicContact OE1-NZ 2.71Å; E939-K947 PolarHBondContact OE1-NZ 3.01Å; L942-K947 HydrophobicContact CB-CG 3.69Å; L942-K947 HydrophobicContact CD1-CG 4.4Å; L942-K947 WeakPolarHBondContact O-CE 3.34Å; S943-K947 PolarHBondContact O-N 3Å; A944-K947 PolarHBondContact O-N 3.46Å; K947-L950 PolarHBondContact O-N 3.26Å; K947-T951 WeakPolarHBondContact O-CB 3.29Å; K947-T951 VanDerWaalsContact O-CG2 3.32Å; K947-T951 WeakPolarHBondContact O-CG2 3.39Å; K947-T951 PolarHBondContact O-N 3.36Å; K947-T951 PolarHBondContact O-OG1 2.97Å; K947-N991 WeakPolarHBondContact CD-O 3.39Å; K947-N991 PolarHBondContact NZ-O 3.35Å
948E95Very high94.3Very high75 Ų7535.6 Ų35.635%0.3519%0.192SC..Hα-helixtrans-58.3-47.8177.1169.7158.7-148.800113.7A944 K945 L950 T951 S952 K996A944-E948 PolarHBondContact O-N 3.09Å; A944-E948 VanDerWaalsContact O-N 3.1Å; K945-E948 WeakPolarHBondContact O-CB 3.23Å; K945-E948 PolarHBondContact O-N 2.96Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.36Å; E948-T951 PolarHBondContact O-OG1 3.14Å; E948-S952 VanDerWaalsContact O-CB 3.27Å; E948-S952 WeakPolarHBondContact O-CB 3.48Å; E948-S952 PolarHBondContact O-N 3.08Å; E948-K996 VanDerWaalsContact CA-CG 3.48Å; E948-K996 HydrophobicContact CB-CD 3.8Å; E948-K996 HydrophobicContact CB-CG 3.67Å; E948-K996 HydrophobicContact CG-CD 4.27Å; E948-K996 HydrophobicContact CG-CG 4.41Å; E948-K996 VanDerWaalsContact OE1-CE 3.32Å; E948-K996 WeakPolarHBondContact OE1-CE 3.33Å; E948-K996 IonicContact OE1-NZ 2.78Å; E948-K996 PolarHBondContact OE1-NZ 2.91Å; E948-K996 WeakPolarHBondContact OE2-CE 3.48Å; E948-K996 IonicContact OE2-NZ 2.8Å; E948-K996 PolarHBondContact OE2-NZ 3.34Å
949E93.5Very high94.4Very high62 Ų6236.2 Ų36.229%0.2919%0.194SC..Hα-helixtrans-61.6-41.4177.4-72.4166.7-176.800111.7K945 L1219K945-E949 WeakPolarHBondContact CE-OE1 3.28Å; K945-E949 WeakPolarHBondContact O-CG 3.44Å; K945-E949 PolarHBondContact O-N 2.97Å; E949-L1219 HydrophobicContact CB-CD1 4.26Å; E949-L1219 HydrophobicContact CB-CD2 4.34Å
950L96.3Very high94.3Very high6 Ų637 Ų373%0.03120%0.197CC..Hα-helixtrans-67.9-51.5176.8-176.369.7000112.2L938 L942 Q946 K947 E948 S952 C953 F954 L1216 L1220L938-L950 HydrophobicContact CB-CD2 4.41Å; L938-L950 HydrophobicContact CD1-CD2 3.75Å; L942-L950 HydrophobicContact CD1-CD2 3.65Å; Q946-L950 WeakPolarHBondContact O-CB 3.49Å; Q946-L950 PolarHBondContact O-N 3.37Å; K947-L950 PolarHBondContact O-N 3.26Å; E948-L950 VanDerWaalsContact C-N 3.33Å; E948-L950 PolarHBondContact O-N 3.36Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.31Å; L950-C953 PolarHBondContact O-N 3.3Å; L950-C953 VanDerWaalsContact O-N 3.14Å; L950-F954 HydrophobicContact CD1-CD2 4.28Å; L950-F954 HydrophobicContact CD1-CE2 3.77Å; L950-F954 HydrophobicContact CD2-CE2 4.23Å; L950-F954 HydrophobicContact CG-CD2 4.01Å; L950-F954 HydrophobicContact CG-CE2 3.76Å; L950-F954 WeakPolarHBondContact O-CD2 3.19Å; L950-F954 PolarHBondContact O-N 2.94Å; L950-L1216 HydrophobicContact CD1-CD1 3.74Å; L950-L1220 HydrophobicContact CD1-CD2 4.28Å
951T96Very high94.4Very high2 Ų232.2 Ų32.21%0.01217%0.166CC..Hα-helixtrans-65.4-31.3-177.456.20000112.1K947 E948 C953 F954 V955 A993 A997K947-T951 WeakPolarHBondContact O-CB 3.29Å; K947-T951 VanDerWaalsContact O-CG2 3.32Å; K947-T951 WeakPolarHBondContact O-CG2 3.39Å; K947-T951 PolarHBondContact O-N 3.36Å; K947-T951 PolarHBondContact O-OG1 2.97Å; E948-T951 PolarHBondContact O-OG1 3.14Å; T951-C953 VanDerWaalsContact C-N 3.35Å; T951-F954 PolarHBondContact O-N 3.37Å; T951-V955 WeakPolarHBondContact O-CB 3.4Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.37Å; T951-V955 PolarHBondContact O-N 3.22Å; T951-A993 HydrophobicContact CG2-CB 4.14Å; T951-A993 WeakPolarHBondContact CG2-O 3.15Å; T951-A997 HydrophobicContact CG2-CB 4.09Å
952S96.2Very high94.4Very high28 Ų2834 Ų3420%0.19619%0.187CC..Hα-helixtrans-61.6-40.7173.2-1790000112.2E948 L950 N956E948-S952 VanDerWaalsContact O-CB 3.27Å; E948-S952 WeakPolarHBondContact O-CB 3.48Å; E948-S952 PolarHBondContact O-N 3.08Å; L950-S952 VanDerWaalsContact C-N 3.27Å; L950-S952 PolarHBondContact O-N 3.31Å; S952-N956 WeakPolarHBondContact O-CB 3.32Å; S952-N956 PolarHBondContact O-N 2.77Å; S952-N956 VanDerWaalsContact O-N 3.1Å; S952-N956 PolarHBondContact O-OD1 3.17Å
953C97.1Very high94.3Very high0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-65.7-45.2175.4-69.40000111.3L950 T951 N956 I957 E1212 K1215 L1216L950-C953 PolarHBondContact O-N 3.3Å; L950-C953 VanDerWaalsContact O-N 3.14Å; T951-C953 VanDerWaalsContact C-N 3.35Å; C953-N956 PolarHBondContact O-N 3.03Å; C953-I957 WeakPolarHBondContact O-CB 3.49Å; C953-I957 WeakPolarHBondContact O-CD1 3.34Å; C953-I957 VanDerWaalsContact O-CG1 3.22Å; C953-I957 WeakPolarHBondContact O-CG1 3.33Å; C953-I957 PolarHBondContact O-N 3.07Å; C953-E1212 PolarHBondContact SG-OE2 3.13Å; C953-K1215 WeakPolarHBondContact SG-CE 3.43Å; C953-K1215 PolarHBondContact SG-NZ 2.92Å; C953-L1216 HydrophobicContact CB-CB 4.16Å; C953-L1216 HydrophobicContact CB-CD1 4.28Å
954F97.6Very high94.4Very high0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-58.2-49.7176.3-82.1-77.9000112.1I927 L934 I935 L950 T951 N956 I957 F958 F969 L1216I927-F954 HydrophobicContact CD1-CE1 3.67Å; I927-F954 HydrophobicContact CD1-CZ 3.89Å; I927-F954 HydrophobicContact CG2-CD1 4.16Å; I927-F954 HydrophobicContact CG2-CE1 3.89Å; L934-F954 HydrophobicContact CD2-CZ 3.95Å; I935-F954 HydrophobicContact CD1-CD2 4.22Å; I935-F954 HydrophobicContact CD1-CE1 4.48Å; I935-F954 HydrophobicContact CD1-CE2 4.15Å; I935-F954 HydrophobicContact CD1-CG 4.44Å; I935-F954 HydrophobicContact CD1-CZ 4.28Å; I935-F954 HydrophobicContact CG1-CD2 4.47Å; I935-F954 HydrophobicContact CG1-CE2 3.95Å; I935-F954 HydrophobicContact CG1-CZ 4.08Å; L950-F954 HydrophobicContact CD1-CD2 4.28Å; L950-F954 HydrophobicContact CD1-CE2 3.77Å; L950-F954 HydrophobicContact CD2-CE2 4.23Å; L950-F954 HydrophobicContact CG-CD2 4.01Å; L950-F954 HydrophobicContact CG-CE2 3.76Å; L950-F954 WeakPolarHBondContact O-CD2 3.19Å; L950-F954 PolarHBondContact O-N 2.94Å; T951-F954 PolarHBondContact O-N 3.37Å; F954-N956 PolarHBondContact O-N 3.47Å; F954-I957 PolarHBondContact O-N 3.44Å; F954-F958 HydrophobicContact CD1-CD2 4.49Å; F954-F958 HydrophobicContact CD1-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CB 3.37Å; F954-F958 VanDerWaalsContact O-CD2 3.3Å; F954-F958 WeakPolarHBondContact O-CD2 3.34Å; F954-F958 PolarHBondContact O-N 2.77Å; F954-F969 HydrophobicContact CB-CE1 4.27Å; F954-F969 HydrophobicContact CB-CE2 4.25Å; F954-F969 HydrophobicContact CB-CZ 3.67Å; F954-F969 HydrophobicContact CD1-CE2 4.41Å; F954-F969 HydrophobicContact CG-CZ 4.31Å; F954-L1216 HydrophobicContact CE2-CD1 4.35Å
955V97.3Very high94.5Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-56.1-49.2178167.50000111.2T951 I957 F958 E959 F969 A997 C1000 Y1001 L1004T951-V955 WeakPolarHBondContact O-CB 3.4Å; T951-V955 VanDerWaalsContact O-CG2 3.29Å; T951-V955 WeakPolarHBondContact O-CG2 3.37Å; T951-V955 PolarHBondContact O-N 3.22Å; V955-I957 PolarHBondContact O-N 3.35Å; V955-F958 PolarHBondContact O-N 2.89Å; V955-E959 VanDerWaalsContact O-CB 3.3Å; V955-E959 WeakPolarHBondContact O-CB 3.38Å; V955-E959 PolarHBondContact O-N 3.33Å; V955-F969 HydrophobicContact CG2-CE1 4.08Å; V955-A997 HydrophobicContact CG2-CB 4.02Å; V955-A997 WeakPolarHBondContact CG2-O 3.32Å; V955-C1000 HydrophobicContact CG2-CB 4.38Å; V955-Y1001 HydrophobicContact CG1-CD2 3.66Å; V955-Y1001 HydrophobicContact CG1-CG 4.21Å; V955-L1004 HydrophobicContact CG1-CD2 4.34Å
956N96.1Very high94.8Very high20 Ų2030.5 Ų30.511%0.10717%0.166CC..Hα-helixtrans-66.8-36.6-178.1-67.8-2.5000112.2S952 C953 F954 K960 I1207 E1212S952-N956 WeakPolarHBondContact O-CB 3.32Å; S952-N956 PolarHBondContact O-N 2.77Å; S952-N956 VanDerWaalsContact O-N 3.1Å; S952-N956 PolarHBondContact O-OD1 3.17Å; C953-N956 PolarHBondContact O-N 3.03Å; F954-N956 PolarHBondContact O-N 3.47Å; N956-K960 VanDerWaalsContact O-CB 3.23Å; N956-K960 WeakPolarHBondContact O-CB 3.46Å; N956-K960 PolarHBondContact O-N 2.94Å; N956-K960 VanDerWaalsContact O-N 3.11Å; N956-I1207 HydrophobicContact CB-CD1 4.33Å; N956-I1207 HydrophobicContact CB-CG1 4.33Å; N956-I1207 HydrophobicContact CB-CG2 3.98Å; N956-E1212 HydrophobicContact CB-CG 3.83Å; N956-E1212 PolarHBondContact ND2-OE1 3.27Å
957I96.3Very high94.9Very high0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-68.3-45.2176.5-71.7165.3000111.2C953 F954 V955 K960 L961 L1209 E1212 F1213 L1216C953-I957 WeakPolarHBondContact O-CB 3.49Å; C953-I957 WeakPolarHBondContact O-CD1 3.34Å; C953-I957 VanDerWaalsContact O-CG1 3.22Å; C953-I957 WeakPolarHBondContact O-CG1 3.33Å; C953-I957 PolarHBondContact O-N 3.07Å; F954-I957 PolarHBondContact O-N 3.44Å; V955-I957 PolarHBondContact O-N 3.35Å; I957-K960 PolarHBondContact O-N 3Å; I957-L961 HydrophobicContact CG2-CD1 3.67Å; I957-L961 WeakPolarHBondContact O-CB 3.4Å; I957-L961 WeakPolarHBondContact O-CG 3.46Å; I957-L961 PolarHBondContact O-N 3.11Å; I957-L1209 HydrophobicContact CB-CD1 4.45Å; I957-L1209 HydrophobicContact CG1-CD1 4.1Å; I957-L1209 HydrophobicContact CG2-CD1 4.46Å; I957-E1212 HydrophobicContact CD1-CB 4.29Å; I957-E1212 HydrophobicContact CG1-CB 3.94Å; I957-F1213 HydrophobicContact CD1-CD1 3.95Å; I957-F1213 HydrophobicContact CD1-CE1 3.94Å; I957-F1213 HydrophobicContact CD1-CG 4.43Å; I957-F1213 HydrophobicContact CD1-CZ 4.42Å; I957-F1213 HydrophobicContact CG1-CE1 4.49Å; I957-F1213 HydrophobicContact CG1-CZ 4.49Å; I957-F1213 HydrophobicContact CG2-CE1 4.2Å; I957-F1213 HydrophobicContact CG2-CZ 3.86Å; I957-L1216 HydrophobicContact CD1-CB 4.39Å; I957-L1216 HydrophobicContact CD1-CD2 3.63Å
958F96.7Very high94.9Very high8 Ų833.3 Ų33.34%0.03518%0.182CC..Hα-helixtrans-68.7-32.5178.5-86.9-108000112.6I927 Y931 F954 V955 L964 V966 F969I927-F958 HydrophobicContact CG2-CE2 3.89Å; Y931-F958 HydrophobicContact CD1-CE1 4.39Å; Y931-F958 AromaticContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CD1-CZ 3.65Å; Y931-F958 HydrophobicContact CE1-CE1 4.31Å; Y931-F958 HydrophobicContact CE1-CZ 4.02Å; Y931-F958 HydrophobicContact CG-CE2 4.48Å; Y931-F958 AromaticContact CG-CZ 3.92Å; Y931-F958 HydrophobicContact CG-CZ 3.92Å; F954-F958 HydrophobicContact CD1-CD2 4.49Å; F954-F958 HydrophobicContact CD1-CE2 4.07Å; F954-F958 WeakPolarHBondContact O-CB 3.37Å; F954-F958 VanDerWaalsContact O-CD2 3.3Å; F954-F958 WeakPolarHBondContact O-CD2 3.34Å; F954-F958 PolarHBondContact O-N 2.77Å; V955-F958 PolarHBondContact O-N 2.89Å; F958-L964 HydrophobicContact CB-CB 4.48Å; F958-L964 HydrophobicContact CD1-CB 3.76Å; F958-L964 HydrophobicContact CD1-CD1 3.93Å; F958-L964 HydrophobicContact CD1-CD2 4.39Å; F958-L964 HydrophobicContact CD1-CG 4.25Å; F958-L964 HydrophobicContact CD2-CD1 3.94Å; F958-L964 HydrophobicContact CE1-CB 4.24Å; F958-L964 HydrophobicContact CE1-CD1 4.05Å; F958-L964 HydrophobicContact CE1-CD2 4.01Å; F958-L964 HydrophobicContact CE1-CG 4.34Å; F958-L964 HydrophobicContact CE2-CD1 4.06Å; F958-L964 HydrophobicContact CG-CB 4.22Å; F958-L964 HydrophobicContact CG-CD1 3.88Å; F958-L964 HydrophobicContact CZ-CD1 4.12Å; F958-L964 HydrophobicContact CZ-CD2 4.39Å; F958-V966 VanDerWaalsContact C-CG2 3.5Å; F958-V966 HydrophobicContact CB-CG2 3.67Å; F958-F969 HydrophobicContact CD1-CB 3.47Å; F958-F969 VanDerWaalsContact CD1-CB 3.47Å; F958-F969 HydrophobicContact CD1-CD2 4.21Å; F958-F969 AromaticContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD2-CD2 4.37Å; F958-F969 HydrophobicContact CD2-CG 4.45Å; F958-F969 HydrophobicContact CE1-CB 3.74Å; F958-F969 AromaticContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CG 4.1Å; F958-F969 HydrophobicContact CE2-CD2 4.16Å; F958-F969 HydrophobicContact CG-CB 4.1Å; F958-F969 HydrophobicContact CG-CD1 4.48Å; F958-F969 HydrophobicContact CG-CD2 4.39Å; F958-F969 HydrophobicContact CG-CG 4.08Å; F958-F969 AromaticContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CG 4.47Å
959E94.2Very high95Very high15 Ų1529.8 Ų29.87%0.0717%0.166CC..Hα-helixtrans-71-41176.7-177.266.3-174.800111.1V955 V966 Y1001 L1004 C1203 H1204 I1207V955-E959 VanDerWaalsContact O-CB 3.3Å; V955-E959 WeakPolarHBondContact O-CB 3.38Å; V955-E959 PolarHBondContact O-N 3.33Å; E959-V966 HydrophobicContact CB-CG2 3.82Å; E959-V966 VanDerWaalsContact N-CG2 3.26Å; E959-V966 WeakPolarHBondContact OE2-CG2 3.42Å; E959-Y1001 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1001 WeakPolarHBondContact OE2-CE2 3.38Å; E959-Y1001 PolarHBondContact OE2-OH 3.36Å; E959-L1004 HydrophobicContact CG-CD2 4.41Å; E959-C1203 PolarHBondContact OE1-SG 2.85Å; E959-H1204 PolarHBondContact O-CE1 3.06Å; E959-H1204 PolarHBondContact O-NE2 3.06Å; E959-H1204 IonicContact OE1-CE1 3.23Å; E959-H1204 PolarHBondContact OE1-CE1 3.14Å; E959-H1204 IonicContact OE1-ND1 2.89Å; E959-H1204 PolarHBondContact OE1-ND1 3.44Å; E959-I1207 HydrophobicContact CB-CD1 3.89Å; E959-I1207 HydrophobicContact CG-CD1 3.8Å
960K91.7Very high95.1Very high52 Ų5226.9 Ų26.923%0.22615%0.152CC..Hα-helixtrans-81.2-18.1-172.8-171.855.5168.9-178.40114N956 I957 H1204 I1207 L1209N956-K960 VanDerWaalsContact O-CB 3.23Å; N956-K960 WeakPolarHBondContact O-CB 3.46Å; N956-K960 PolarHBondContact O-N 2.94Å; N956-K960 VanDerWaalsContact O-N 3.11Å; I957-K960 PolarHBondContact O-N 3Å; K960-H1204 PolarHBondContact NZ-O 3.19Å; K960-I1207 HydrophobicContact CB-CB 4.25Å; K960-I1207 HydrophobicContact CB-CD1 4.24Å; K960-I1207 HydrophobicContact CB-CG2 3.82Å; K960-I1207 HydrophobicContact CD-CB 4.24Å; K960-I1207 HydrophobicContact CD-CG2 4.49Å; K960-I1207 WeakPolarHBondContact CE-O 3.47Å; K960-I1207 HydrophobicContact CG-CB 4.26Å; K960-I1207 HydrophobicContact CG-CG2 3.97Å; K960-L1209 HydrophobicContact CB-CD1 4.31Å; K960-L1209 HydrophobicContact CG-CB 4.23Å; K960-L1209 HydrophobicContact CG-CD1 4.33Å
961L93.2Very high95.1Very high11 Ų1127 Ų276%0.05815%0.153CC..  trans-97118.2-175.9-78.4174.2000111.7K924 I957 D963 L964 L1209 F1213K924-L961 HydrophobicContact CD-CD1 4.04Å; K924-L961 HydrophobicContact CD-CD2 4.07Å; K924-L961 HydrophobicContact CG-CD1 4Å; I957-L961 HydrophobicContact CG2-CD1 3.67Å; I957-L961 WeakPolarHBondContact O-CB 3.4Å; I957-L961 WeakPolarHBondContact O-CG 3.46Å; I957-L961 PolarHBondContact O-N 3.11Å; L961-D963 PolarHBondContact O-N 2.86Å; L961-D963 VanDerWaalsContact O-N 3.15Å; L961-L964 HydrophobicContact CB-CB 4.21Å; L961-L964 HydrophobicContact CB-CD1 3.98Å; L961-L964 HydrophobicContact CB-CG 4.07Å; L961-L964 HydrophobicContact CD1-CD1 3.58Å; L961-L964 HydrophobicContact CD1-CG 4.36Å; L961-L964 HydrophobicContact CG-CD1 4.44Å; L961-L964 PolarHBondContact O-N 3.39Å; L961-L964 VanDerWaalsContact O-N 3.09Å; L961-L1209 HydrophobicContact CD2-CD2 3.65Å; L961-L1209 HydrophobicContact CG-CD1 4.26Å; L961-L1209 HydrophobicContact CG-CD2 4.16Å; L961-F1213 HydrophobicContact CD1-CZ 4.39Å
962P89.9Confident95Very high132 Ų13227.9 Ų27.986%0.85716%0.158SC*.THydrogen-bonded Turntrans-71.2-12.4-17531.4-37.5000113.9
963D91.2Very high94.9Very high65 Ų6526.6 Ų26.635%0.34815%0.15SC..THydrogen-bonded Turntrans-969.2175.365.8-60.9000113.5K924 K928 L961K924-D963 WeakPolarHBondContact CE-OD1 3.16Å; K924-D963 WeakPolarHBondContact CE-OD2 3.44Å; K924-D963 IonicContact NZ-OD1 2.89Å; K924-D963 PolarHBondContact NZ-OD1 2.89Å; K924-D963 IonicContact NZ-OD2 2.9Å; K924-D963 PolarHBondContact NZ-OD2 3.3Å; K928-D963 IonicContact NZ-OD2 3.21Å; K928-D963 PolarHBondContact NZ-OD2 3.37Å; L961-D963 PolarHBondContact O-N 2.86Å; L961-D963 VanDerWaalsContact O-N 3.15Å
964L93.8Very high94.7Very high30 Ų3026.6 Ų26.616%0.15715%0.15CC..SBendtrans-125.4158.5173.3-62.7-178.5000110.1K928 F958 L961K928-L964 HydrophobicContact CB-CD2 4.01Å; K928-L964 HydrophobicContact CD-CD2 4.09Å; K928-L964 HydrophobicContact CG-CD2 3.7Å; F958-L964 HydrophobicContact CB-CB 4.48Å; F958-L964 HydrophobicContact CD1-CB 3.76Å; F958-L964 HydrophobicContact CD1-CD1 3.93Å; F958-L964 HydrophobicContact CD1-CD2 4.39Å; F958-L964 HydrophobicContact CD1-CG 4.25Å; F958-L964 HydrophobicContact CD2-CD1 3.94Å; F958-L964 HydrophobicContact CE1-CB 4.24Å; F958-L964 HydrophobicContact CE1-CD1 4.05Å; F958-L964 HydrophobicContact CE1-CD2 4.01Å; F958-L964 HydrophobicContact CE1-CG 4.34Å; F958-L964 HydrophobicContact CE2-CD1 4.06Å; F958-L964 HydrophobicContact CG-CB 4.22Å; F958-L964 HydrophobicContact CG-CD1 3.88Å; F958-L964 HydrophobicContact CZ-CD1 4.12Å; F958-L964 HydrophobicContact CZ-CD2 4.39Å; L961-L964 HydrophobicContact CB-CB 4.21Å; L961-L964 HydrophobicContact CB-CD1 3.98Å; L961-L964 HydrophobicContact CB-CG 4.07Å; L961-L964 HydrophobicContact CD1-CD1 3.58Å; L961-L964 HydrophobicContact CD1-CG 4.36Å; L961-L964 HydrophobicContact CG-CD1 4.44Å; L961-L964 PolarHBondContact O-N 3.39Å; L961-L964 VanDerWaalsContact O-N 3.09Å
965S94.2Very high94.4Very high50 Ų5031.4 Ų31.435%0.3517%0.168SC..  trans-125.8120.4175.41720000110A967 E968 F969S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.06Å; S965-A967 PolarHBondContact OG-N 2.9Å; S965-E968 PolarHBondContact O-N 3.45Å; S965-E968 PolarHBondContact OG-N 3.26Å; S965-F969 WeakPolarHBondContact O-CB 3.43Å; S965-F969 PolarHBondContact O-N 3.12Å
966V95.7Very high94Very high7 Ų733.2 Ų33.24%0.04218%0.176CC..Hα-helixtrans-62.4-37.1171.1163.30000111.5F958 E959 E968 F969 L970 Y1001 V1087F958-V966 VanDerWaalsContact C-CG2 3.5Å; F958-V966 HydrophobicContact CB-CG2 3.67Å; E959-V966 HydrophobicContact CB-CG2 3.82Å; E959-V966 VanDerWaalsContact N-CG2 3.26Å; E959-V966 WeakPolarHBondContact OE2-CG2 3.42Å; V966-E968 VanDerWaalsContact C-N 3.33Å; V966-E968 PolarHBondContact O-N 2.88Å; V966-F969 PolarHBondContact O-N 3.39Å; V966-L970 HydrophobicContact CG1-CD1 3.5Å; V966-L970 VanDerWaalsContact CG1-CD1 3.5Å; V966-L970 HydrophobicContact CG1-CG 3.94Å; V966-L970 WeakPolarHBondContact O-CB 3.37Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.33Å; V966-Y1001 HydrophobicContact CB-CE2 4.33Å; V966-Y1001 HydrophobicContact CG1-CD1 4.06Å; V966-Y1001 HydrophobicContact CG1-CD2 3.79Å; V966-Y1001 HydrophobicContact CG1-CE1 3.89Å; V966-Y1001 HydrophobicContact CG1-CE2 3.61Å; V966-Y1001 HydrophobicContact CG1-CG 3.97Å; V966-Y1001 HydrophobicContact CG2-CE2 4.39Å; V966-V1087 HydrophobicContact CG1-CG2 4.2Å
967A95.8Very high93.7Very high15 Ų1532.6 Ų32.612%0.12417%0.173CC..Hα-helixtrans-64.3-38.4179.300000112.4S965 S971 V1087 A1090S965-A967 VanDerWaalsContact C-N 3.28Å; S965-A967 PolarHBondContact O-N 3.06Å; S965-A967 PolarHBondContact OG-N 2.9Å; A967-S971 VanDerWaalsContact O-CB 3.28Å; A967-S971 WeakPolarHBondContact O-CB 3.26Å; A967-S971 PolarHBondContact O-N 2.92Å; A967-S971 VanDerWaalsContact O-N 3.15Å; A967-S971 PolarHBondContact O-OG 3.1Å; A967-V1087 HydrophobicContact CB-CG2 3.97Å; A967-A1090 HydrophobicContact CB-CB 4Å
968E94.8Very high93.2Very high122 Ų12232.8 Ų32.857%0.5717%0.174SC*.Hα-helixtrans-69.9-47.6172.2-171.1178.917400111.5S965 V966 L970 S971 V972S965-E968 PolarHBondContact O-N 3.45Å; S965-E968 PolarHBondContact OG-N 3.26Å; V966-E968 VanDerWaalsContact C-N 3.33Å; V966-E968 PolarHBondContact O-N 2.88Å; E968-L970 PolarHBondContact O-N 3.37Å; E968-S971 PolarHBondContact O-N 3.4Å; E968-S971 PolarHBondContact O-OG 3.46Å; E968-S971 VanDerWaalsContact O-OG 3.12Å; E968-V972 HydrophobicContact CG-CG2 4.14Å; E968-V972 VanDerWaalsContact O-CB 3.3Å; E968-V972 WeakPolarHBondContact O-CB 3.41Å; E968-V972 WeakPolarHBondContact O-CG2 3.22Å; E968-V972 PolarHBondContact O-N 3.5Å
969F96.8Very high92.7Very high1 Ų136.2 Ų36.20%0.00420%0.199CC..Hα-helixtrans-55.4-48.9178166.5-107.3000112.7Y931 I935 F954 V955 F958 S965 V966 L973 A997Y931-F969 AromaticContact CD2-CD2 3.64Å; Y931-F969 HydrophobicContact CD2-CD2 3.64Å; Y931-F969 AromaticContact CD2-CE2 3.64Å; Y931-F969 HydrophobicContact CD2-CE2 3.64Å; Y931-F969 AromaticContact CE2-CD2 3.49Å; Y931-F969 HydrophobicContact CE2-CD2 3.49Å; Y931-F969 VanDerWaalsContact CE2-CD2 3.49Å; Y931-F969 AromaticContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CE2-CE2 3.88Å; Y931-F969 HydrophobicContact CG-CD2 4.37Å; Y931-F969 HydrophobicContact CG-CE2 4.46Å; I935-F969 HydrophobicContact CD1-CE2 4.03Å; I935-F969 HydrophobicContact CD1-CZ 4.33Å; F954-F969 HydrophobicContact CB-CE1 4.27Å; F954-F969 HydrophobicContact CB-CE2 4.25Å; F954-F969 HydrophobicContact CB-CZ 3.67Å; F954-F969 HydrophobicContact CD1-CE2 4.41Å; F954-F969 HydrophobicContact CG-CZ 4.31Å; V955-F969 HydrophobicContact CG2-CE1 4.08Å; F958-F969 HydrophobicContact CD1-CB 3.47Å; F958-F969 VanDerWaalsContact CD1-CB 3.47Å; F958-F969 HydrophobicContact CD1-CD2 4.21Å; F958-F969 AromaticContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD1-CG 3.89Å; F958-F969 HydrophobicContact CD2-CD2 4.37Å; F958-F969 HydrophobicContact CD2-CG 4.45Å; F958-F969 HydrophobicContact CE1-CB 3.74Å; F958-F969 AromaticContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CD2 4Å; F958-F969 HydrophobicContact CE1-CG 4.1Å; F958-F969 HydrophobicContact CE2-CD2 4.16Å; F958-F969 HydrophobicContact CG-CB 4.1Å; F958-F969 HydrophobicContact CG-CD1 4.48Å; F958-F969 HydrophobicContact CG-CD2 4.39Å; F958-F969 HydrophobicContact CG-CG 4.08Å; F958-F969 AromaticContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CD2 3.97Å; F958-F969 HydrophobicContact CZ-CG 4.47Å; S965-F969 WeakPolarHBondContact O-CB 3.43Å; S965-F969 PolarHBondContact O-N 3.12Å; V966-F969 PolarHBondContact O-N 3.39Å; F969-L973 HydrophobicContact CE1-CD2 4.44Å; F969-L973 HydrophobicContact CE2-CD2 4.16Å; F969-L973 HydrophobicContact CZ-CD2 3.83Å; F969-L973 WeakPolarHBondContact O-CB 3.42Å; F969-L973 PolarHBondContact O-N 3.43Å; F969-A997 HydrophobicContact CE1-CB 4.11Å; F969-A997 HydrophobicContact CZ-CB 4.45Å
970L97Very high92.2Very high0 Ų040.8 Ų40.80%022%0.224CC..Hα-helixtrans-70.2-39.6-179-68.7176.9000112.3V966 E968 L974 A997 M998 Y1001 V1087V966-L970 HydrophobicContact CG1-CD1 3.5Å; V966-L970 VanDerWaalsContact CG1-CD1 3.5Å; V966-L970 HydrophobicContact CG1-CG 3.94Å; V966-L970 WeakPolarHBondContact O-CB 3.37Å; V966-L970 WeakPolarHBondContact O-CG 3.49Å; V966-L970 PolarHBondContact O-N 3.33Å; E968-L970 PolarHBondContact O-N 3.37Å; L970-L974 VanDerWaalsContact O-CB 3.3Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.34Å; L970-L974 VanDerWaalsContact O-CG 3.3Å; L970-L974 WeakPolarHBondContact O-CG 3.41Å; L970-L974 PolarHBondContact O-N 2.95Å; L970-A997 HydrophobicContact CD2-CB 3.64Å; L970-M998 HydrophobicContact CD1-SD 4.01Å; L970-Y1001 HydrophobicContact CD1-CD1 3.72Å; L970-Y1001 HydrophobicContact CD1-CE1 4.44Å; L970-Y1001 HydrophobicContact CD1-CG 3.94Å; L970-V1087 HydrophobicContact CD1-CG1 3.97Å; L970-V1087 HydrophobicContact CD1-CG2 4.07Å
971S94.8Very high91.5Very high8 Ų841.4 Ų41.46%0.05623%0.23CC..Hα-helixtrans-69.7-42.1179.167.50000112A967 E968 R975A967-S971 VanDerWaalsContact O-CB 3.28Å; A967-S971 WeakPolarHBondContact O-CB 3.26Å; A967-S971 PolarHBondContact O-N 2.92Å; A967-S971 VanDerWaalsContact O-N 3.15Å; A967-S971 PolarHBondContact O-OG 3.1Å; E968-S971 PolarHBondContact O-N 3.4Å; E968-S971 PolarHBondContact O-OG 3.46Å; E968-S971 VanDerWaalsContact O-OG 3.12Å; S971-R975 WeakPolarHBondContact O-CB 3.28Å; S971-R975 PolarHBondContact O-N 2.99Å
972V94.2Very high90.3Very high21 Ų2144.1 Ų44.113%0.12726%0.26CS..Hα-helixtrans-61.8-46.7174.2173.40000110.8L932 E968 R975 E976L932-V972 HydrophobicContact CD1-CG1 4.37Å; L932-V972 HydrophobicContact CD2-CG1 4.09Å; E968-V972 HydrophobicContact CG-CG2 4.14Å; E968-V972 VanDerWaalsContact O-CB 3.3Å; E968-V972 WeakPolarHBondContact O-CB 3.41Å; E968-V972 WeakPolarHBondContact O-CG2 3.22Å; E968-V972 PolarHBondContact O-N 3.5Å; V972-R975 PolarHBondContact O-N 2.81Å; V972-E976 PolarHBondContact O-N 3.41Å
973L94.4Very high89.3Confident2 Ų244.4 Ų44.41%0.0125%0.248CC..Hα-helixtrans-68.2-37.4-178.3-174.561000112.5L932 I935 F969 E976 D977 A993 A997L932-L973 HydrophobicContact CD1-CD1 4.25Å; I935-L973 HydrophobicContact CD1-CD1 4.31Å; I935-L973 HydrophobicContact CD1-CD2 4.24Å; I935-L973 HydrophobicContact CG2-CD1 4.02Å; F969-L973 HydrophobicContact CE1-CD2 4.44Å; F969-L973 HydrophobicContact CE2-CD2 4.16Å; F969-L973 HydrophobicContact CZ-CD2 3.83Å; F969-L973 WeakPolarHBondContact O-CB 3.42Å; F969-L973 PolarHBondContact O-N 3.43Å; L973-E976 PolarHBondContact O-N 2.86Å; L973-D977 PolarHBondContact O-N 2.94Å; L973-A993 HydrophobicContact CD2-CB 4.49Å; L973-A997 HydrophobicContact CD2-CB 4.05Å
974L92.7Very high88.4Confident0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-73.6-30.1175.8-74.2167.1000113.2L970 D977 L978 I987 F988 M998 L1091L970-L974 VanDerWaalsContact O-CB 3.3Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CD1 3.34Å; L970-L974 VanDerWaalsContact O-CG 3.3Å; L970-L974 WeakPolarHBondContact O-CG 3.41Å; L970-L974 PolarHBondContact O-N 2.95Å; L974-D977 PolarHBondContact O-N 3.19Å; L974-L978 WeakPolarHBondContact O-CB 3.25Å; L974-L978 PolarHBondContact O-N 3.35Å; L974-I987 HydrophobicContact CD2-CG2 4.41Å; L974-F988 HydrophobicContact CD1-CE1 4.08Å; L974-F988 HydrophobicContact CD1-CZ 3.64Å; L974-F988 HydrophobicContact CD2-CE1 3.68Å; L974-F988 HydrophobicContact CD2-CZ 3.8Å; L974-F988 HydrophobicContact CG-CZ 4.4Å; L974-M998 HydrophobicContact CD1-CE 3.84Å; L974-L1091 HydrophobicContact CB-CD1 3.97Å; L974-L1091 HydrophobicContact CD1-CD1 3.77Å; L974-L1091 HydrophobicContact CD1-CD2 3.93Å
975R91.3Very high87.1Confident101 Ų10145.9 Ų45.938%0.38126%0.259SS..Hα-helixtrans-65.9-40.4170.3179.817757.2-161.2-2.8111.7S971 V972 L978 S979 T1094S971-R975 WeakPolarHBondContact O-CB 3.28Å; S971-R975 PolarHBondContact O-N 2.99Å; V972-R975 PolarHBondContact O-N 2.81Å; R975-L978 PolarHBondContact O-N 2.9Å; R975-S979 PolarHBondContact O-N 2.93Å; R975-S979 PolarHBondContact O-OG 3.37Å; R975-T1094 HydrophobicContact CB-CG2 3.91Å; R975-T1094 HydrophobicContact CG-CG2 4.24Å
976E89.7Confident86.1Confident37 Ų3747.1 Ų47.117%0.17326%0.26CS..Hα-helixtrans-66.7-38.2172.5-179.671.9-172.800111.8L932 R936 V972 L973 L978 S979 N980L932-E976 HydrophobicContact CD1-CB 4.26Å; L932-E976 HydrophobicContact CD1-CG 4.18Å; R936-E976 IonicContact CZ-OE1 3Å; R936-E976 VanDerWaalsContact CZ-OE1 3.26Å; R936-E976 IonicContact NE-OE1 3.96Å; R936-E976 PolarHBondContact NE-OE1 2.84Å; R936-E976 IonicContact NH2-OE1 3.03Å; R936-E976 PolarHBondContact NH2-OE1 2.75Å; R936-E976 IonicContact NH2-OE2 3.64Å; R936-E976 PolarHBondContact NH2-OE2 2.87Å; V972-E976 PolarHBondContact O-N 3.41Å; L973-E976 PolarHBondContact O-N 2.86Å; E976-L978 VanDerWaalsContact C-N 3.29Å; E976-L978 PolarHBondContact O-N 2.79Å; E976-S979 PolarHBondContact O-OG 3.48Å; E976-N980 WeakPolarHBondContact CG-ND2 3.28Å; E976-N980 WeakPolarHBondContact O-CB 3.5Å; E976-N980 PolarHBondContact O-N 3.04Å; E976-N980 VanDerWaalsContact O-N 3.14Å; E976-N980 PolarHBondContact O-ND2 3.47Å; E976-N980 PolarHBondContact OE1-ND2 2.81Å
977D89.1Confident85.3Confident7 Ų747.1 Ų47.14%0.03726%0.26CS..Hα-helixtrans-61-38.4171.3-84.1-8.8000111.7L973 L974 N981 S992 G994 S995L973-D977 PolarHBondContact O-N 2.94Å; L974-D977 PolarHBondContact O-N 3.19Å; D977-N981 VanDerWaalsContact O-CB 3.32Å; D977-N981 WeakPolarHBondContact O-CB 3.37Å; D977-N981 PolarHBondContact O-N 3.45Å; D977-N981 PolarHBondContact O-ND2 2.87Å; D977-S992 VanDerWaalsContact CG-OG 3.29Å; D977-S992 WeakPolarHBondContact OD1-CB 3.48Å; D977-S992 WeakPolarHBondContact OD2-CB 3.5Å; D977-S992 PolarHBondContact OD2-OG 3.05Å; D977-G994 WeakPolarHBondContact OD2-CA 3.38Å; D977-G994 PolarHBondContact OD2-N 3.3Å; D977-S995 PolarHBondContact OD2-N 2.69Å
978L87.2Confident84.8Confident5 Ų546.4 Ų46.43%0.02625%0.254CS..Hα-helixtrans-69.7-47.7179.8-17930.3000112L974 R975 E976 N980 N981 G982 I987 I1095 H1099L974-L978 WeakPolarHBondContact O-CB 3.25Å; L974-L978 PolarHBondContact O-N 3.35Å; R975-L978 PolarHBondContact O-N 2.9Å; E976-L978 VanDerWaalsContact C-N 3.29Å; E976-L978 PolarHBondContact O-N 2.79Å; L978-N980 VanDerWaalsContact C-N 3.26Å; L978-N980 PolarHBondContact O-N 3.14Å; L978-N981 PolarHBondContact O-N 3.21Å; L978-G982 PolarHBondContact O-N 3.36Å; L978-I987 HydrophobicContact CB-CD1 3.6Å; L978-I987 HydrophobicContact CD1-CD1 3.73Å; L978-I987 HydrophobicContact CD2-CD1 3.63Å; L978-I987 HydrophobicContact CG-CD1 3.78Å; L978-I1095 HydrophobicContact CD2-CD1 3.74Å; L978-H1099 WeakPolarHBondContact CD2-CD2 3.32Å; L978-H1099 VanDerWaalsContact CD2-NE2 3.31Å; L978-H1099 WeakPolarHBondContact CD2-NE2 3.49Å; L978-H1099 WeakPolarHBondContact CG-NE2 3.32Å
979S85.6Confident84.2Confident80 Ų8046.8 Ų46.856%0.55925%0.25SS*.Hα-helixtrans-59-39177.163.90000111.9R975 E976R975-S979 PolarHBondContact O-N 2.93Å; R975-S979 PolarHBondContact O-OG 3.37Å; E976-S979 PolarHBondContact O-OG 3.48Å
980N83.9Confident83.6Confident111 Ų11148 Ų4859%0.59426%0.26SS*.Hα-helixtrans-76.3-32.9179.6-74.2-53.5000114.4E976 L978E976-N980 WeakPolarHBondContact CG-ND2 3.28Å; E976-N980 WeakPolarHBondContact O-CB 3.5Å; E976-N980 PolarHBondContact O-N 3.04Å; E976-N980 VanDerWaalsContact O-N 3.14Å; E976-N980 PolarHBondContact O-ND2 3.47Å; E976-N980 PolarHBondContact OE1-ND2 2.81Å; L978-N980 VanDerWaalsContact C-N 3.26Å; L978-N980 PolarHBondContact O-N 3.14Å
981N76Confident83.2Confident65 Ų6552.6 Ų52.635%0.34829%0.285SS..Hα-helixtrans-86.7-18.2-176.3-77.1-65.4000114.2D977 L978 K983D977-N981 VanDerWaalsContact O-CB 3.32Å; D977-N981 WeakPolarHBondContact O-CB 3.37Å; D977-N981 PolarHBondContact O-N 3.45Å; D977-N981 PolarHBondContact O-ND2 2.87Å; L978-N981 PolarHBondContact O-N 3.21Å; N981-K983 PolarHBondContact O-N 3.35Å
982G68.2Low83.1Confident67 Ų6752.5 Ų52.569%0.69128%0.284SS*.SBendtrans62.3-1.6176.900000116.3L978L978-G982 PolarHBondContact O-N 3.36Å
983K69.9Low83.1Confident139 Ų13951.7 Ų51.760%0.60428%0.279SS*.  trans-140.5108.6-179.8-69.8-175.4-179.6-179.20110.1N981 S985 M986N981-K983 PolarHBondContact O-N 3.35Å; K983-S985 PolarHBondContact O-N 3.19Å; K983-S985 VanDerWaalsContact O-N 3.14Å; K983-M986 HydrophobicContact CB-CG 4.02Å; K983-M986 WeakPolarHBondContact O-CB 3.35Å; K983-M986 PolarHBondContact O-N 3.44Å
984E70.4Confident83.1Confident59 Ų5951.6 Ų51.628%0.27628%0.279SS..G310 helixtrans-47-43.4174.1-170.6-159.4137.200112.4M986 I987 S1103 H1106E984-M986 PolarHBondContact O-N 3.13Å; E984-I987 WeakPolarHBondContact O-CB 3.46Å; E984-I987 PolarHBondContact O-N 3.23Å; E984-S1103 VanDerWaalsContact CD-CB 3.42Å; E984-S1103 VanDerWaalsContact CD-OG 3.32Å; E984-S1103 WeakPolarHBondContact OE1-CA 3.37Å; E984-S1103 WeakPolarHBondContact OE2-CB 3.09Å; E984-S1103 PolarHBondContact OE2-OG 3.43Å; E984-H1106 IonicContact OE1-CD2 2.92Å
985S68.4Low83.1Confident66 Ų6651.6 Ų51.646%0.46228%0.279SS..G310 helixtrans-59.6-9.717964.50000116.1K983 R989K983-S985 PolarHBondContact O-N 3.19Å; K983-S985 VanDerWaalsContact O-N 3.14Å; S985-R989 VanDerWaalsContact O-CD 3.32Å; S985-R989 WeakPolarHBondContact O-CD 3.16Å; S985-R989 PolarHBondContact O-NH1 3.07Å
986M73.2Confident83.3Confident77 Ų7747.7 Ų47.738%0.37927%0.265SS..G310 helixtrans-95.6-15.4174.1-62-6890.800113.5K983 E984 R989 A990K983-M986 HydrophobicContact CB-CG 4.02Å; K983-M986 WeakPolarHBondContact O-CB 3.35Å; K983-M986 PolarHBondContact O-N 3.44Å; E984-M986 PolarHBondContact O-N 3.13Å; M986-R989 CarbonylContact O-C 3.56Å; M986-R989 WeakPolarHBondContact O-CA 3.37Å; M986-R989 WeakPolarHBondContact O-CB 3.42Å; M986-R989 PolarHBondContact O-N 3.15Å; M986-A990 PolarHBondContact O-N 3.48Å
987I78.4Confident83.6Confident6 Ų645.9 Ų45.93%0.03126%0.257CS..THydrogen-bonded Turntrans-64.1139.7177.1-60175.5000109.2L974 L978 E984 R989 L1107L974-I987 HydrophobicContact CD2-CG2 4.41Å; L978-I987 HydrophobicContact CB-CD1 3.6Å; L978-I987 HydrophobicContact CD1-CD1 3.73Å; L978-I987 HydrophobicContact CD2-CD1 3.63Å; L978-I987 HydrophobicContact CG-CD1 3.78Å; E984-I987 WeakPolarHBondContact O-CB 3.46Å; E984-I987 PolarHBondContact O-N 3.23Å; I987-R989 PolarHBondContact O-N 2.84Å; I987-L1107 HydrophobicContact CD1-CD1 3.68Å; I987-L1107 HydrophobicContact CG2-CD1 3.99Å; I987-L1107 HydrophobicContact CG2-CG 4.17Å
988F83.9Confident83.9Confident1 Ų145.7 Ų45.70%0.00426%0.255CS..THydrogen-bonded Turntrans55.27.9-169.7-55-59.2000115.2L974 S995 M998 L1107 C1111 R1115L974-F988 HydrophobicContact CD1-CE1 4.08Å; L974-F988 HydrophobicContact CD1-CZ 3.64Å; L974-F988 HydrophobicContact CD2-CE1 3.68Å; L974-F988 HydrophobicContact CD2-CZ 3.8Å; L974-F988 HydrophobicContact CG-CZ 4.4Å; F988-S995 PolarHBondContact N-OG 2.77Å; F988-M998 HydrophobicContact CE1-CB 3.76Å; F988-M998 HydrophobicContact CE1-CG 3.71Å; F988-M998 HydrophobicContact CZ-CB 4.45Å; F988-M998 HydrophobicContact CZ-CE 4.26Å; F988-M998 HydrophobicContact CZ-CG 4.05Å; F988-L1107 HydrophobicContact CD2-CG 4.39Å; F988-L1107 WeakPolarHBondContact CD2-O 3.36Å; F988-L1107 HydrophobicContact CE2-CD2 3.61Å; F988-L1107 HydrophobicContact CE2-CG 3.78Å; F988-L1107 VanDerWaalsContact CE2-O 3.25Å; F988-L1107 WeakPolarHBondContact CE2-O 3.22Å; F988-L1107 HydrophobicContact CZ-CD2 4.2Å; F988-C1111 HydrophobicContact CD2-CB 4.21Å; F988-C1111 HydrophobicContact CE1-CB 4.42Å; F988-C1111 HydrophobicContact CE2-CB 3.7Å; F988-C1111 HydrophobicContact CZ-CB 3.82Å; F988-R1115 HydrophobicContact CB-CG 4.02Å; F988-R1115 HydrophobicContact CD1-CG 4.43Å; F988-R1115 VanDerWaalsContact O-CZ 3.25Å; F988-R1115 PolarHBondContact O-NE 3.33Å; F988-R1115 PolarHBondContact O-NH2 3.46Å
989R83Confident84.2Confident130 Ų13046.5 Ų46.549%0.49126%0.259SS..THydrogen-bonded Turntrans-106.5-33.1165.7-65.8-172-173.9161.8-3.9111.9S985 M986 I987 L1114S985-R989 VanDerWaalsContact O-CD 3.32Å; S985-R989 WeakPolarHBondContact O-CD 3.16Å; S985-R989 PolarHBondContact O-NH1 3.07Å; M986-R989 CarbonylContact O-C 3.56Å; M986-R989 WeakPolarHBondContact O-CA 3.37Å; M986-R989 WeakPolarHBondContact O-CB 3.42Å; M986-R989 PolarHBondContact O-N 3.15Å; I987-R989 PolarHBondContact O-N 2.84Å; R989-L1114 HydrophobicContact CG-CD2 3.77Å
990A83.5Confident84.7Confident26 Ų2643.6 Ų43.622%0.21524%0.238CC..SBendtrans-62.5159.816700000111.8M986 S992 R1115M986-A990 PolarHBondContact O-N 3.48Å; A990-S992 VanDerWaalsContact C-N 3.28Å; A990-S992 PolarHBondContact O-N 3.1Å; A990-R1115 PolarHBondContact O-NH2 2.72Å
991N88.6Confident85.3Confident97 Ų9738.6 Ų38.652%0.51921%0.211SC..  trans-97.958.8164.7-67.3-37.2000108.5A944 K947A944-N991 HydrophobicContact CB-CB 4.24Å; K947-N991 WeakPolarHBondContact CD-O 3.39Å; K947-N991 PolarHBondContact NZ-O 3.35Å
992S92.5Very high86.2Confident5 Ų535.5 Ų35.54%0.03520%0.195CC..  trans-81.6164.5176.763.20000111.8E939 D977 A990 S995 K996E939-S992 WeakPolarHBondContact OE1-CA 3.42Å; D977-S992 VanDerWaalsContact CG-OG 3.29Å; D977-S992 WeakPolarHBondContact OD1-CB 3.48Å; D977-S992 WeakPolarHBondContact OD2-CB 3.5Å; D977-S992 PolarHBondContact OD2-OG 3.05Å; A990-S992 VanDerWaalsContact C-N 3.28Å; A990-S992 PolarHBondContact O-N 3.1Å; S992-S995 VanDerWaalsContact OG-CB 3.24Å; S992-S995 WeakPolarHBondContact OG-CB 3.42Å; S992-S995 PolarHBondContact OG-N 3.46Å; S992-S995 PolarHBondContact OG-OG 3.15Å; S992-K996 WeakPolarHBondContact O-CB 3.36Å; S992-K996 PolarHBondContact O-N 2.98Å; S992-K996 VanDerWaalsContact O-N 3.15Å
993A94.1Very high87.3Confident4 Ų435.3 Ų35.33%0.03318%0.175CC..Hα-helixtrans-63-45.1175.300000111.6I935 E939 T951 L973 S995 K996 A997I935-A993 HydrophobicContact CG2-CB 3.53Å; E939-A993 VanDerWaalsContact CD-N 3.29Å; E939-A993 HydrophobicContact CG-CB 4.35Å; E939-A993 PolarHBondContact OE1-N 2.81Å; E939-A993 WeakPolarHBondContact OE2-CB 3.18Å; E939-A993 PolarHBondContact OE2-N 2.96Å; T951-A993 HydrophobicContact CG2-CB 4.14Å; T951-A993 WeakPolarHBondContact CG2-O 3.15Å; L973-A993 HydrophobicContact CD2-CB 4.49Å; A993-S995 PolarHBondContact O-N 2.95Å; A993-K996 PolarHBondContact O-N 3.25Å; A993-A997 WeakPolarHBondContact O-CB 3.33Å; A993-A997 PolarHBondContact O-N 2.73Å
994G94.3Very high88.4Confident0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-62.8-43.9177.900000113.1D977 K996 A997 M998D977-G994 WeakPolarHBondContact OD2-CA 3.38Å; D977-G994 PolarHBondContact OD2-N 3.3Å; G994-K996 PolarHBondContact O-N 3.31Å; G994-A997 PolarHBondContact O-N 2.92Å; G994-M998 WeakPolarHBondContact O-CB 3.14Å; G994-M998 PolarHBondContact O-N 3.02Å
995S93.7Very high89.5Confident1 Ų128.3 Ų28.31%0.00715%0.146CC..Hα-helixtrans-58.3-36175-63.70000112.5D977 F988 S992 A993 E999D977-S995 PolarHBondContact OD2-N 2.69Å; F988-S995 PolarHBondContact N-OG 2.77Å; S992-S995 VanDerWaalsContact OG-CB 3.24Å; S992-S995 WeakPolarHBondContact OG-CB 3.42Å; S992-S995 PolarHBondContact OG-N 3.46Å; S992-S995 PolarHBondContact OG-OG 3.15Å; A993-S995 PolarHBondContact O-N 2.95Å; S995-E999 PolarHBondContact O-N 3.08Å
996K94.8Very high90.6Very high18 Ų1825.2 Ų25.28%0.07812%0.124CC..Hα-helixtrans-85.2-35.6-177.4-164.766.6-129.9-161.30112.8E948 S992 A993 G994 E999 C1000E948-K996 VanDerWaalsContact CA-CG 3.48Å; E948-K996 HydrophobicContact CB-CD 3.8Å; E948-K996 HydrophobicContact CB-CG 3.67Å; E948-K996 HydrophobicContact CG-CD 4.27Å; E948-K996 HydrophobicContact CG-CG 4.41Å; E948-K996 VanDerWaalsContact OE1-CE 3.32Å; E948-K996 WeakPolarHBondContact OE1-CE 3.33Å; E948-K996 IonicContact OE1-NZ 2.78Å; E948-K996 PolarHBondContact OE1-NZ 2.91Å; E948-K996 WeakPolarHBondContact OE2-CE 3.48Å; E948-K996 IonicContact OE2-NZ 2.8Å; E948-K996 PolarHBondContact OE2-NZ 3.34Å; S992-K996 WeakPolarHBondContact O-CB 3.36Å; S992-K996 PolarHBondContact O-N 2.98Å; S992-K996 VanDerWaalsContact O-N 3.15Å; A993-K996 PolarHBondContact O-N 3.25Å; G994-K996 PolarHBondContact O-N 3.31Å; K996-E999 IonicContact NZ-OE1 2.69Å; K996-E999 PolarHBondContact NZ-OE1 2.83Å; K996-E999 IonicContact NZ-OE2 3.73Å; K996-E999 PolarHBondContact NZ-OE2 3.14Å; K996-E999 PolarHBondContact O-N 3.38Å; K996-C1000 PolarHBondContact O-N 3.34Å; K996-C1000 PolarHBondContact O-SG 3.04Å
997A96.9Very high91.5Very high0 Ų023.1 Ų23.10%012%0.116CC..Hα-helixtrans-58.9-47.5169.800000111.1T951 V955 F969 L970 L973 A993 G994 E999 C1000 Y1001T951-A997 HydrophobicContact CG2-CB 4.09Å; V955-A997 HydrophobicContact CG2-CB 4.02Å; V955-A997 WeakPolarHBondContact CG2-O 3.32Å; F969-A997 HydrophobicContact CE1-CB 4.11Å; F969-A997 HydrophobicContact CZ-CB 4.45Å; L970-A997 HydrophobicContact CD2-CB 3.64Å; L973-A997 HydrophobicContact CD2-CB 4.05Å; A993-A997 WeakPolarHBondContact O-CB 3.33Å; A993-A997 PolarHBondContact O-N 2.73Å; G994-A997 PolarHBondContact O-N 2.92Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 2.83Å; A997-C1000 WeakPolarHBondContact O-CB 3.42Å; A997-C1000 PolarHBondContact O-N 3.37Å; A997-Y1001 PolarHBondContact O-N 3.14Å
998M95.5Very high92.1Very high2 Ų227.8 Ų27.81%0.0114%0.141CC..Hα-helixtrans-60.3-41.3174.6-175.763.4106.400112.1L970 L974 F988 G994 C1000 Y1001 I1002 V1087 F1088 L1091 C1111L970-M998 HydrophobicContact CD1-SD 4.01Å; L974-M998 HydrophobicContact CD1-CE 3.84Å; F988-M998 HydrophobicContact CE1-CB 3.76Å; F988-M998 HydrophobicContact CE1-CG 3.71Å; F988-M998 HydrophobicContact CZ-CB 4.45Å; F988-M998 HydrophobicContact CZ-CE 4.26Å; F988-M998 HydrophobicContact CZ-CG 4.05Å; G994-M998 WeakPolarHBondContact O-CB 3.14Å; G994-M998 PolarHBondContact O-N 3.02Å; M998-C1000 PolarHBondContact O-N 2.82Å; M998-Y1001 PolarHBondContact O-N 3.44Å; M998-I1002 WeakPolarHBondContact O-CB 3.43Å; M998-I1002 VanDerWaalsContact O-CG2 3.32Å; M998-I1002 WeakPolarHBondContact O-CG2 3.45Å; M998-I1002 PolarHBondContact O-N 2.92Å; M998-V1087 HydrophobicContact CE-CG1 3.59Å; M998-V1087 HydrophobicContact SD-CG1 4.01Å; M998-F1088 HydrophobicContact CE-CE1 4.35Å; M998-L1091 HydrophobicContact CE-CD2 3.51Å; M998-C1111 WeakPolarHBondContact CG-SG 3.27Å; M998-C1111 VanDerWaalsContact SD-SG 3.66Å
999E94.1Very high92.6Very high23 Ų2328.2 Ų28.211%0.10714%0.142CC..Hα-helixtrans-64.6-38176.8-161.7-163.2126.700112.6S995 K996 A997 K1003 R1115S995-E999 PolarHBondContact O-N 3.08Å; K996-E999 IonicContact NZ-OE1 2.69Å; K996-E999 PolarHBondContact NZ-OE1 2.83Å; K996-E999 IonicContact NZ-OE2 3.73Å; K996-E999 PolarHBondContact NZ-OE2 3.14Å; K996-E999 PolarHBondContact O-N 3.38Å; A997-E999 VanDerWaalsContact C-N 3.33Å; A997-E999 PolarHBondContact O-N 2.83Å; E999-K1003 WeakPolarHBondContact O-CB 3.49Å; E999-K1003 WeakPolarHBondContact O-CD 3.33Å; E999-K1003 VanDerWaalsContact O-CG 3.28Å; E999-K1003 WeakPolarHBondContact O-CG 3.39Å; E999-K1003 PolarHBondContact O-N 3.34Å; E999-K1003 IonicContact OE1-NZ 3.61Å; E999-K1003 PolarHBondContact OE1-NZ 2.98Å; E999-R1115 IonicContact OE2-NH1 2.85Å; E999-R1115 PolarHBondContact OE2-NH1 3.45Å
1000C94.2Very high93.2Very high18 Ų1822.1 Ų22.112%0.12212%0.12CC..Hα-helixtrans-63.9-47.1172.7-68.70000111.1V955 K996 A997 M998 K1003 L1004V955-C1000 HydrophobicContact CG2-CB 4.38Å; K996-C1000 PolarHBondContact O-N 3.34Å; K996-C1000 PolarHBondContact O-SG 3.04Å; A997-C1000 WeakPolarHBondContact O-CB 3.42Å; A997-C1000 PolarHBondContact O-N 3.37Å; M998-C1000 PolarHBondContact O-N 2.82Å; C1000-K1003 PolarHBondContact O-N 2.97Å; C1000-L1004 PolarHBondContact O-N 2.85Å
1001Y96.7Very high93.7Very high6 Ų623.2 Ų23.22%0.02412%0.118CC..Hα-helixtrans-66.9-48.8-177.5-173.4-114.8000113.2V955 E959 V966 L970 A997 M998 K1003 L1004 V1005 E1083 L1084 V1087V955-Y1001 HydrophobicContact CG1-CD2 3.66Å; V955-Y1001 HydrophobicContact CG1-CG 4.21Å; E959-Y1001 VanDerWaalsContact OE2-CE2 3.25Å; E959-Y1001 WeakPolarHBondContact OE2-CE2 3.38Å; E959-Y1001 PolarHBondContact OE2-OH 3.36Å; V966-Y1001 HydrophobicContact CB-CE2 4.33Å; V966-Y1001 HydrophobicContact CG1-CD1 4.06Å; V966-Y1001 HydrophobicContact CG1-CD2 3.79Å; V966-Y1001 HydrophobicContact CG1-CE1 3.89Å; V966-Y1001 HydrophobicContact CG1-CE2 3.61Å; V966-Y1001 HydrophobicContact CG1-CG 3.97Å; V966-Y1001 HydrophobicContact CG2-CE2 4.39Å; L970-Y1001 HydrophobicContact CD1-CD1 3.72Å; L970-Y1001 HydrophobicContact CD1-CE1 4.44Å; L970-Y1001 HydrophobicContact CD1-CG 3.94Å; A997-Y1001 PolarHBondContact O-N 3.14Å; M998-Y1001 PolarHBondContact O-N 3.44Å; Y1001-K1003 PolarHBondContact O-N 3.03Å; Y1001-K1003 VanDerWaalsContact O-N 3.16Å; Y1001-L1004 HydrophobicContact CD2-CD2 4.28Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.48Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.13Å; Y1001-L1004 PolarHBondContact O-N 2.86Å; Y1001-V1005 HydrophobicContact CD1-CG2 4.33Å; Y1001-V1005 HydrophobicContact CD2-CG1 4.35Å; Y1001-V1005 HydrophobicContact CE1-CG2 4Å; Y1001-V1005 HydrophobicContact CE2-CG1 3.72Å; Y1001-V1005 PolarHBondContact O-N 3.01Å; Y1001-V1005 VanDerWaalsContact O-N 3.07Å; Y1001-E1083 VanDerWaalsContact OH-CB 3.32Å; Y1001-E1083 WeakPolarHBondContact OH-CB 3.35Å; Y1001-L1084 HydrophobicContact CD1-CD2 3.99Å; Y1001-L1084 HydrophobicContact CE1-CD2 3.91Å; Y1001-V1087 HydrophobicContact CD1-CG2 4.08Å; Y1001-V1087 HydrophobicContact CE1-CB 4.41Å; Y1001-V1087 HydrophobicContact CE1-CG2 3.49Å; Y1001-V1087 VanDerWaalsContact CE1-CG2 3.49Å
1002I95.1Very high94Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-62.7-27.8-178.7-161.7165.1000112.5M998 G1006 L1084 F1088 L1112 F1116M998-I1002 WeakPolarHBondContact O-CB 3.43Å; M998-I1002 VanDerWaalsContact O-CG2 3.32Å; M998-I1002 WeakPolarHBondContact O-CG2 3.45Å; M998-I1002 PolarHBondContact O-N 2.92Å; I1002-G1006 WeakPolarHBondContact O-CA 3.48Å; I1002-G1006 PolarHBondContact O-N 2.56Å; I1002-L1084 HydrophobicContact CB-CD2 4.35Å; I1002-L1084 HydrophobicContact CG1-CD1 3.97Å; I1002-L1084 HydrophobicContact CG1-CD2 4.02Å; I1002-F1088 HydrophobicContact CD1-CZ 4.14Å; I1002-L1112 HydrophobicContact CD1-CD1 4.29Å; I1002-F1116 HydrophobicContact CD1-CB 3.81Å; I1002-F1116 HydrophobicContact CD1-CD1 3.86Å; I1002-F1116 HydrophobicContact CD1-CG 3.87Å; I1002-F1116 HydrophobicContact CG1-CB 4.27Å; I1002-F1116 HydrophobicContact CG1-CD1 3.86Å; I1002-F1116 HydrophobicContact CG1-CD2 4.14Å; I1002-F1116 HydrophobicContact CG1-CE1 4.15Å; I1002-F1116 HydrophobicContact CG1-CE2 4.43Å; I1002-F1116 HydrophobicContact CG1-CG 3.85Å; I1002-F1116 HydrophobicContact CG1-CZ 4.43Å; I1002-F1116 HydrophobicContact CG2-CB 4.19Å; I1002-F1116 HydrophobicContact CG2-CD2 3.89Å; I1002-F1116 HydrophobicContact CG2-CG 4.14Å; I1002-F1116 WeakPolarHBondContact O-CE2 3.32Å
1003K92.7Very high94.1Very high63 Ų6323.2 Ų23.227%0.27411%0.111SC..Hα-helixtrans-73.4-41.2170.4-73.2172.6175.4172.80112.5E999 C1000 Y1001 T1007 F1116 F1127E999-K1003 WeakPolarHBondContact O-CB 3.49Å; E999-K1003 WeakPolarHBondContact O-CD 3.33Å; E999-K1003 VanDerWaalsContact O-CG 3.28Å; E999-K1003 WeakPolarHBondContact O-CG 3.39Å; E999-K1003 PolarHBondContact O-N 3.34Å; E999-K1003 IonicContact OE1-NZ 3.61Å; E999-K1003 PolarHBondContact OE1-NZ 2.98Å; C1000-K1003 PolarHBondContact O-N 2.97Å; Y1001-K1003 PolarHBondContact O-N 3.03Å; Y1001-K1003 VanDerWaalsContact O-N 3.16Å; K1003-T1007 PolarHBondContact O-OG1 3.3Å; K1003-F1116 HydrophobicContact CG-CD2 4.41Å; K1003-F1116 HydrophobicContact CG-CE2 4.26Å; K1003-F1127 HydrophobicContact CG-CE1 4.5Å
1004L92.4Very high94.2Very high49 Ų4923.2 Ų23.226%0.25711%0.11SC..Hα-helixtrans-58.1-50.4178.3176.566.3000111.9V955 E959 C1000 Y1001 C1203 I1207V955-L1004 HydrophobicContact CG1-CD2 4.34Å; E959-L1004 HydrophobicContact CG-CD2 4.41Å; C1000-L1004 PolarHBondContact O-N 2.85Å; Y1001-L1004 HydrophobicContact CD2-CD2 4.28Å; Y1001-L1004 WeakPolarHBondContact O-CA 3.48Å; Y1001-L1004 WeakPolarHBondContact O-CB 3.13Å; Y1001-L1004 PolarHBondContact O-N 2.86Å; L1004-C1203 HydrophobicContact CD1-CB 4.23Å; L1004-C1203 HydrophobicContact CG-CB 4.04Å; L1004-I1207 HydrophobicContact CD2-CD1 4.27Å
1005V92.9Very high94.2Very high3 Ų323.8 Ų23.82%0.01812%0.117CC..Hα-helixtrans-96.2-26.5-174.6-57.90000114.2Y1001 L1084 C1203Y1001-V1005 HydrophobicContact CD1-CG2 4.33Å; Y1001-V1005 HydrophobicContact CD2-CG1 4.35Å; Y1001-V1005 HydrophobicContact CE1-CG2 4Å; Y1001-V1005 HydrophobicContact CE2-CG1 3.72Å; Y1001-V1005 PolarHBondContact O-N 3.01Å; Y1001-V1005 VanDerWaalsContact O-N 3.07Å; V1005-L1084 HydrophobicContact CG2-CD1 4.04Å; V1005-L1084 HydrophobicContact CG2-CD2 3.39Å; V1005-L1084 HydrophobicContact CG2-CG 3.45Å; V1005-L1084 VanDerWaalsContact CG2-CG 3.45Å; V1005-C1203 HydrophobicContact CG1-CB 4.06Å
1006G92.9Very high94.2Very high0 Ų026.7 Ų26.70%014%0.135CC..Hα-helixtrans-92.3-7.5-170.400000116.1I1002 D1008 Y1009 L1010 F1116I1002-G1006 WeakPolarHBondContact O-CA 3.48Å; I1002-G1006 PolarHBondContact O-N 2.56Å; G1006-D1008 VanDerWaalsContact C-N 3.35Å; G1006-D1008 PolarHBondContact O-N 3.18Å; G1006-Y1009 WeakPolarHBondContact O-CB 3.37Å; G1006-Y1009 PolarHBondContact O-N 3.47Å; G1006-L1010 WeakPolarHBondContact O-CB 3.14Å; G1006-L1010 PolarHBondContact O-N 2.93Å; G1006-F1116 WeakPolarHBondContact O-CZ 3.25Å
1007T91.1Very high94.1Very high33 Ų3326 Ų2620%0.20213%0.133CC..Hα-helixtrans-59.5-40.1-171.2-72.60000113.3K1003 L1010 R1011K1003-T1007 PolarHBondContact O-OG1 3.3Å; T1007-L1010 WeakPolarHBondContact O-CB 3.42Å; T1007-L1010 PolarHBondContact O-N 3.43Å; T1007-R1011 PolarHBondContact O-N 3Å
1008D91.3Very high93.9Very high104 Ų10426 Ų2656%0.55613%0.133SC*.Hα-helixtrans-73.2-37.3179.3-64-52000112.6G1006 L1010 R1011 Y1012G1006-D1008 VanDerWaalsContact C-N 3.35Å; G1006-D1008 PolarHBondContact O-N 3.18Å; D1008-L1010 VanDerWaalsContact C-N 3.35Å; D1008-R1011 PolarHBondContact O-N 3.33Å; D1008-Y1012 WeakPolarHBondContact O-CB 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.31Å
1009Y94.4Very high93.8Very high11 Ų1128.7 Ų28.74%0.04315%0.147CC..Hα-helixtrans-59.6-45.4169.9166.7-99.3000111.3G1006 R1011 Y1012 V1013 S1076 K1079 L1080G1006-Y1009 WeakPolarHBondContact O-CB 3.37Å; G1006-Y1009 PolarHBondContact O-N 3.47Å; Y1009-R1011 PolarHBondContact O-N 3.48Å; Y1009-Y1012 WeakPolarHBondContact O-CB 3.08Å; Y1009-Y1012 PolarHBondContact O-N 3.04Å; Y1009-V1013 HydrophobicContact CD2-CG2 4.05Å; Y1009-V1013 HydrophobicContact CE1-CG2 4.24Å; Y1009-V1013 HydrophobicContact CE2-CG2 3.64Å; Y1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; Y1009-V1013 PolarHBondContact O-N 3.43Å; Y1009-S1076 WeakPolarHBondContact CE2-OG 3.03Å; Y1009-S1076 PolarHBondContact OH-OG 3.04Å; Y1009-K1079 HydrophobicContact CD2-CB 4.46Å; Y1009-K1079 VanDerWaalsContact CD2-O 3.32Å; Y1009-K1079 WeakPolarHBondContact CD2-O 3.46Å; Y1009-L1080 HydrophobicContact CD1-CD1 4Å; Y1009-L1080 HydrophobicContact CE1-CD1 3.68Å; Y1009-L1080 HydrophobicContact CE2-CB 4.22Å; Y1009-L1080 HydrophobicContact CE2-CD1 4.27Å; Y1009-L1080 HydrophobicContact CG-CD1 4.42Å
1010L95.2Very high93.7Very high2 Ų232.2 Ų32.21%0.0116%0.163CC..Hα-helixtrans-60.9-43.2177.4-171.873.4000111.9G1006 T1007 D1008 V1013 L1014 F1116 I1117 A1120 F1127 L1129G1006-L1010 WeakPolarHBondContact O-CB 3.14Å; G1006-L1010 PolarHBondContact O-N 2.93Å; T1007-L1010 WeakPolarHBondContact O-CB 3.42Å; T1007-L1010 PolarHBondContact O-N 3.43Å; D1008-L1010 VanDerWaalsContact C-N 3.35Å; L1010-V1013 PolarHBondContact O-N 3.26Å; L1010-L1014 HydrophobicContact CD1-CD1 3.57Å; L1010-L1014 HydrophobicContact CD1-CG 4.32Å; L1010-L1014 HydrophobicContact CG-CD1 4.24Å; L1010-L1014 WeakPolarHBondContact O-CB 3.35Å; L1010-L1014 PolarHBondContact O-N 3.32Å; L1010-F1116 HydrophobicContact CB-CE1 3.98Å; L1010-F1116 HydrophobicContact CB-CZ 3.71Å; L1010-F1116 HydrophobicContact CD1-CD1 4.2Å; L1010-F1116 HydrophobicContact CD1-CE1 3.88Å; L1010-F1116 HydrophobicContact CD1-CZ 4.1Å; L1010-F1116 HydrophobicContact CD2-CE1 4.45Å; L1010-F1116 HydrophobicContact CD2-CE2 3.89Å; L1010-F1116 HydrophobicContact CD2-CZ 3.82Å; L1010-F1116 HydrophobicContact CG-CE1 4.33Å; L1010-F1116 HydrophobicContact CG-CZ 4.11Å; L1010-I1117 HydrophobicContact CD1-CG1 4.42Å; L1010-A1120 HydrophobicContact CD1-CB 3.9Å; L1010-A1120 HydrophobicContact CD2-CB 3.73Å; L1010-A1120 HydrophobicContact CG-CB 4.22Å; L1010-F1127 HydrophobicContact CD2-CB 3.87Å; L1010-F1127 HydrophobicContact CD2-CD1 3.66Å; L1010-F1127 HydrophobicContact CD2-CG 4.13Å; L1010-L1129 HydrophobicContact CD2-CD1 4.46Å; L1010-L1129 HydrophobicContact CG-CD1 4.38Å
1011R94.2Very high93.5Very high49 Ų4931.8 Ų31.819%0.18516%0.16CC..Hα-helixtrans-62-44173-82.4178.4162.1-170.1-7.1112S621 S623 T1007 D1008 Y1009 G1015 G1128 L1129S621-R1011 PolarHBondContact O-NH1 3.47Å; S623-R1011 PolarHBondContact OG-NH2 3.4Å; T1007-R1011 PolarHBondContact O-N 3Å; D1008-R1011 PolarHBondContact O-N 3.33Å; Y1009-R1011 PolarHBondContact O-N 3.48Å; R1011-G1015 VanDerWaalsContact O-CA 3.26Å; R1011-G1015 WeakPolarHBondContact O-CA 3.37Å; R1011-G1015 PolarHBondContact O-N 3.24Å; R1011-G1128 PolarHBondContact NE-O 3.1Å; R1011-G1128 VanDerWaalsContact NE-O 3.12Å; R1011-G1128 PolarHBondContact NH2-O 2.92Å; R1011-L1129 HydrophobicContact CB-CD2 4.4Å; R1011-L1129 HydrophobicContact CG-CD2 3.81Å
1012Y94Very high93.1Very high98 Ų9833.9 Ų33.938%0.38417%0.171SC..Hα-helixtrans-62-43.3176.8168.1-94.7000112.8D1008 Y1009 R1072 K1079D1008-Y1012 WeakPolarHBondContact O-CB 3.29Å; D1008-Y1012 PolarHBondContact O-N 3.31Å; Y1009-Y1012 WeakPolarHBondContact O-CB 3.08Å; Y1009-Y1012 PolarHBondContact O-N 3.04Å; Y1012-R1072 PolarHBondContact O-NH2 3.38Å; Y1012-K1079 HydrophobicContact CD1-CD 4.11Å; Y1012-K1079 HydrophobicContact CE1-CD 3.51Å; Y1012-K1079 HydrophobicContact CE2-CD 4.16Å; Y1012-K1079 VanDerWaalsContact CZ-NZ 3.26Å; Y1012-K1079 PolarHBondContact OH-NZ 3.36Å
1013V95.8Very high92.6Very high4 Ų439.9 Ų39.92%0.02421%0.208CC..Hα-helixtrans-74.6-54-178.2177.40000111.3Y1009 L1010 R1072 I1073 S1076Y1009-V1013 HydrophobicContact CD2-CG2 4.05Å; Y1009-V1013 HydrophobicContact CE1-CG2 4.24Å; Y1009-V1013 HydrophobicContact CE2-CG2 3.64Å; Y1009-V1013 WeakPolarHBondContact O-CG2 3.26Å; Y1009-V1013 PolarHBondContact O-N 3.43Å; L1010-V1013 PolarHBondContact O-N 3.26Å; V1013-R1072 HydrophobicContact CG1-CB 4.26Å; V1013-R1072 PolarHBondContact O-NE 3.13Å; V1013-I1073 HydrophobicContact CG1-CG1 3.67Å; V1013-S1076 VanDerWaalsContact CG2-OG 3.28Å; V1013-S1076 WeakPolarHBondContact CG2-OG 3.41Å
1014L96.4Very high92.1Very high3 Ų341.1 Ų41.12%0.01622%0.217CC..Hα-helixtrans-96-30.9-168.8-61.2-179.3000114.4L1010 V1017 I1018 I1069 I1117 A1120 I1121 L1129L1010-L1014 HydrophobicContact CD1-CD1 3.57Å; L1010-L1014 HydrophobicContact CD1-CG 4.32Å; L1010-L1014 HydrophobicContact CG-CD1 4.24Å; L1010-L1014 WeakPolarHBondContact O-CB 3.35Å; L1010-L1014 PolarHBondContact O-N 3.32Å; L1014-V1017 PolarHBondContact O-N 3.25Å; L1014-I1018 HydrophobicContact CB-CG1 4.23Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 3.01Å; L1014-I1069 HydrophobicContact CD2-CG2 3.95Å; L1014-I1117 HydrophobicContact CD1-CG2 4.42Å; L1014-A1120 HydrophobicContact CD1-CB 4.12Å; L1014-I1121 HydrophobicContact CD1-CD1 4.49Å; L1014-I1121 HydrophobicContact CD1-CG1 3.77Å; L1014-I1121 HydrophobicContact CD2-CD1 4.15Å; L1014-I1121 HydrophobicContact CD2-CG1 4.05Å; L1014-L1129 HydrophobicContact CB-CD1 4.01Å; L1014-L1129 HydrophobicContact CD1-CD1 3.97Å
1015G94.2Very high91.3Very high13 Ų1339.9 Ų39.913%0.13422%0.215CC..Hα-helixtrans-49.2-55.4-17100000114.1R1011 V1017 I1018 D1019R1011-G1015 VanDerWaalsContact O-CA 3.26Å; R1011-G1015 WeakPolarHBondContact O-CA 3.37Å; R1011-G1015 PolarHBondContact O-N 3.24Å; G1015-V1017 VanDerWaalsContact C-N 3.27Å; G1015-V1017 PolarHBondContact O-N 2.56Å; G1015-I1018 PolarHBondContact O-N 3.12Å; G1015-D1019 PolarHBondContact O-N 3.29Å
1016P93.8Very high91Very high61 Ų6142.4 Ų42.440%0.39623%0.229SC..Hα-helixtrans-59.9-33.4178.9-25.535000114.1Q1020P1016-Q1020 VanDerWaalsContact O-CG 3.22Å; P1016-Q1020 WeakPolarHBondContact O-CG 3.44Å; P1016-Q1020 PolarHBondContact O-N 2.74Å
1017V92.8Very high90.8Very high4 Ų444 Ų442%0.02424%0.237CC..Hα-helixtrans-77.5-41179.8177.60000111.1L1014 G1015 Q1020 L1021 M1068 I1069L1014-V1017 PolarHBondContact O-N 3.25Å; G1015-V1017 VanDerWaalsContact C-N 3.27Å; G1015-V1017 PolarHBondContact O-N 2.56Å; V1017-Q1020 PolarHBondContact O-N 3.07Å; V1017-L1021 HydrophobicContact CG1-CD1 3.95Å; V1017-L1021 HydrophobicContact CG1-CG 4.35Å; V1017-L1021 WeakPolarHBondContact O-CB 3.45Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.24Å; V1017-M1068 HydrophobicContact CB-CE 4.36Å; V1017-M1068 HydrophobicContact CG1-CE 3.6Å; V1017-M1068 HydrophobicContact CG2-CE 3.97Å; V1017-I1069 HydrophobicContact CB-CG1 4.39Å; V1017-I1069 HydrophobicContact CG1-CD1 3.85Å; V1017-I1069 HydrophobicContact CG1-CG1 3.67Å
1018I93.4Very high90.9Very high1 Ų142.5 Ų42.51%0.00523%0.228CC..Hα-helixtrans-64-46.8175.7-63.8-64.2000110L1014 G1015 Q1020 L1021 L1022 P1124 L1129 L1143L1014-I1018 HydrophobicContact CB-CG1 4.23Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.5Å; L1014-I1018 PolarHBondContact O-N 3.01Å; G1015-I1018 PolarHBondContact O-N 3.12Å; I1018-Q1020 VanDerWaalsContact C-N 3.28Å; I1018-Q1020 PolarHBondContact O-N 3.1Å; I1018-L1021 PolarHBondContact O-N 3.03Å; I1018-L1021 VanDerWaalsContact O-N 3.13Å; I1018-L1022 HydrophobicContact CG2-CD1 4.09Å; I1018-L1022 HydrophobicContact CG2-CG 4.3Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.42Å; I1018-L1022 PolarHBondContact O-N 3.33Å; I1018-P1124 HydrophobicContact CG2-CB 3.87Å; I1018-P1124 HydrophobicContact CG2-CG 4.33Å; I1018-L1129 HydrophobicContact CG1-CD1 4.41Å; I1018-L1129 HydrophobicContact CG2-CB 4.46Å; I1018-L1143 HydrophobicContact CD1-CD2 3.55Å
1019D92.2Very high91Very high58 Ų5838.2 Ų38.231%0.3120%0.204SC..Hα-helixtrans-56.3-40.9175.1-95.9-22.4000111.7K620 G1015 V1023K620-D1019 IonicContact NZ-OD1 3.32Å; K620-D1019 PolarHBondContact NZ-OD1 3.35Å; K620-D1019 IonicContact NZ-OD2 3.44Å; K620-D1019 PolarHBondContact NZ-OD2 2.74Å; G1015-D1019 PolarHBondContact O-N 3.29Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; D1019-V1023 PolarHBondContact O-N 3.33Å
1020Q91.3Very high90.9Very high96 Ų9638.1 Ų38.145%0.44921%0.205SC..Hα-helixtrans-65.1-46.3173.9-73.717127.700112.6P1016 V1017 I1018 L1022 V1023 I1024P1016-Q1020 VanDerWaalsContact O-CG 3.22Å; P1016-Q1020 WeakPolarHBondContact O-CG 3.44Å; P1016-Q1020 PolarHBondContact O-N 2.74Å; V1017-Q1020 PolarHBondContact O-N 3.07Å; I1018-Q1020 VanDerWaalsContact C-N 3.28Å; I1018-Q1020 PolarHBondContact O-N 3.1Å; Q1020-L1022 VanDerWaalsContact C-N 3.28Å; Q1020-L1022 PolarHBondContact O-N 3.01Å; Q1020-V1023 PolarHBondContact O-N 2.99Å; Q1020-I1024 HydrophobicContact CB-CD1 4.12Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Q1020-I1024 PolarHBondContact O-N 3.03Å
1021L90.9Very high90.7Very high9 Ų939.2 Ų39.25%0.04721%0.21CC..Hα-helixtrans-64.2-30.8179.8-75.1172.4000113.3V1017 I1018 V1023 F1028 N1065 L1143 I1146V1017-L1021 HydrophobicContact CG1-CD1 3.95Å; V1017-L1021 HydrophobicContact CG1-CG 4.35Å; V1017-L1021 WeakPolarHBondContact O-CB 3.45Å; V1017-L1021 WeakPolarHBondContact O-CG 3.39Å; V1017-L1021 PolarHBondContact O-N 3.24Å; I1018-L1021 PolarHBondContact O-N 3.03Å; I1018-L1021 VanDerWaalsContact O-N 3.13Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 3.42Å; L1021-F1028 HydrophobicContact CD2-CE2 3.68Å; L1021-F1028 HydrophobicContact CD2-CZ 3.72Å; L1021-N1065 WeakPolarHBondContact CD2-OD1 3.46Å; L1021-L1143 HydrophobicContact CD1-CD2 4Å; L1021-I1146 HydrophobicContact CD1-CD1 3.58Å; L1021-I1146 HydrophobicContact CD2-CD1 4.31Å
1022L87.5Confident90.3Very high50 Ų5039.6 Ų39.626%0.26222%0.22SC..Hα-helixtrans-67.6-25173-67.9173.9000112.6I1018 Q1020 A1130 P1134 I1139I1018-L1022 HydrophobicContact CG2-CD1 4.09Å; I1018-L1022 HydrophobicContact CG2-CG 4.3Å; I1018-L1022 VanDerWaalsContact O-CG 3.26Å; I1018-L1022 WeakPolarHBondContact O-CG 3.42Å; I1018-L1022 PolarHBondContact O-N 3.33Å; Q1020-L1022 VanDerWaalsContact C-N 3.28Å; Q1020-L1022 PolarHBondContact O-N 3.01Å; L1022-A1130 HydrophobicContact CD1-CB 3.98Å; L1022-P1134 HydrophobicContact CD2-CB 4.28Å; L1022-P1134 HydrophobicContact CD2-CG 3.73Å; L1022-I1139 HydrophobicContact CD2-CG2 4.03Å
1023V86.2Confident89.8Confident126 Ų12639.6 Ų39.676%0.76423%0.234SC*.Hα-helixtrans-95.9-42.7-178.4175.40000112.7D1019 Q1020 L1021 G1025D1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; D1019-V1023 PolarHBondContact O-N 3.33Å; Q1020-V1023 PolarHBondContact O-N 2.99Å; L1021-V1023 VanDerWaalsContact C-N 3.26Å; L1021-V1023 PolarHBondContact O-N 3.42Å; V1023-G1025 VanDerWaalsContact C-N 3.34Å; V1023-G1025 PolarHBondContact O-N 3.3Å
1024I81.4Confident89.3Confident90 Ų9046 Ų4646%0.46226%0.257SS..Hα-helixtrans-63.8-35.6-169.8-69.9164.3000112.6Q1020 D1026Q1020-I1024 HydrophobicContact CB-CD1 4.12Å; Q1020-I1024 VanDerWaalsContact O-CG1 3.28Å; Q1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Q1020-I1024 PolarHBondContact O-N 3.03Å; I1024-D1026 HydrophobicContact CG2-CB 3.94Å; I1024-D1026 WeakPolarHBondContact CG2-OD2 3.31Å; I1024-D1026 PolarHBondContact O-N 2.74Å
1025G76.3Confident88.5Confident22 Ų2248.1 Ų48.123%0.22727%0.268CS..  trans66.77.7171.400000116.7V1023 R1138V1023-G1025 VanDerWaalsContact C-N 3.34Å; V1023-G1025 PolarHBondContact O-N 3.3Å; G1025-R1138 PolarHBondContact O-NH1 3.18Å
1026D85.7Confident87.1Confident57 Ų5749.8 Ų49.831%0.30529%0.286SS..  trans-52.9166.7174.1-100.4-38.4000112.7I1024 F1028 R1057 R1138 N1142I1024-D1026 HydrophobicContact CG2-CB 3.94Å; I1024-D1026 WeakPolarHBondContact CG2-OD2 3.31Å; I1024-D1026 PolarHBondContact O-N 2.74Å; D1026-F1028 HydrophobicContact CB-CD1 4.36Å; D1026-F1028 HydrophobicContact CB-CE1 3.69Å; D1026-F1028 HydrophobicContact CB-CZ 4.37Å; D1026-R1057 IonicContact OD1-NH1 2.69Å; D1026-R1057 PolarHBondContact OD1-NH1 2.89Å; D1026-R1057 VanDerWaalsContact OD1-NH1 3.15Å; D1026-R1138 WeakPolarHBondContact O-CD 3.36Å; D1026-N1142 PolarHBondContact O-ND2 2.68Å
1027D88.9Confident85.1Confident33 Ų3351.2 Ų51.218%0.17630%0.303CS..  trans-111.7128172.4-161.3-11.9000110.2E1029 N1058 R1138D1027-E1029 WeakPolarHBondContact OD1-CB 3.49Å; D1027-E1029 PolarHBondContact OD1-N 3.21Å; D1027-N1058 PolarHBondContact O-OD1 2.73Å; D1027-N1058 VanDerWaalsContact O-OD1 3.14Å; D1027-R1138 HydrophobicContact CB-CG 4.47Å
1028F93.8Very high83Confident2 Ų255 Ų551%0.00933%0.33CS..  trans-1107.7176.6-57.3-19.2000112.3L1021 D1026 I1030 A1061 L1062 N1065 N1142 L1145 I1146L1021-F1028 HydrophobicContact CD2-CE2 3.68Å; L1021-F1028 HydrophobicContact CD2-CZ 3.72Å; D1026-F1028 HydrophobicContact CB-CD1 4.36Å; D1026-F1028 HydrophobicContact CB-CE1 3.69Å; D1026-F1028 HydrophobicContact CB-CZ 4.37Å; F1028-I1030 PolarHBondContact O-N 3.33Å; F1028-A1061 HydrophobicContact CD1-CB 3.76Å; F1028-A1061 HydrophobicContact CE1-CB 3.69Å; F1028-L1062 HydrophobicContact CB-CB 4.09Å; F1028-L1062 HydrophobicContact CB-CD1 4.2Å; F1028-L1062 HydrophobicContact CD2-CD1 4.21Å; F1028-L1062 HydrophobicContact CG-CB 4.34Å; F1028-L1062 HydrophobicContact CG-CD1 4.45Å; F1028-N1065 HydrophobicContact CE2-CB 4.34Å; F1028-N1065 HydrophobicContact CZ-CB 4.44Å; F1028-N1065 VanDerWaalsContact CZ-ND2 3.29Å; F1028-N1065 WeakPolarHBondContact CZ-ND2 3.46Å; F1028-N1142 HydrophobicContact CB-CB 4.38Å; F1028-N1142 WeakPolarHBondContact CB-OD1 3.43Å; F1028-N1142 HydrophobicContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CG 3.49Å; F1028-N1142 HydrophobicContact CE2-CB 3.85Å; F1028-N1142 HydrophobicContact CG-CB 4.11Å; F1028-N1142 PolarHBondContact N-OD1 3.31Å; F1028-L1145 HydrophobicContact CB-CD1 4.34Å; F1028-L1145 WeakPolarHBondContact O-CD1 3.45Å; F1028-I1146 HydrophobicContact CD2-CD1 4.2Å; F1028-I1146 HydrophobicContact CD2-CG1 4.36Å; F1028-I1146 HydrophobicContact CE2-CD1 3.84Å; F1028-I1146 HydrophobicContact CE2-CG1 4.45Å
1029E93.8Very high80.6Confident13 Ų1362.4 Ų62.46%0.06137%0.369CS..  trans-65121.8-179.7-171.763.7-91.400111.5D1027 D1031 R1034 L1035 N1058 R1141D1027-E1029 WeakPolarHBondContact OD1-CB 3.49Å; D1027-E1029 PolarHBondContact OD1-N 3.21Å; E1029-D1031 WeakPolarHBondContact OE1-CB 3.15Å; E1029-D1031 PolarHBondContact OE1-N 3.14Å; E1029-R1034 HydrophobicContact CG-CB 3.8Å; E1029-R1034 WeakPolarHBondContact OE2-CD 3.32Å; E1029-R1034 IonicContact OE2-NE 2.74Å; E1029-R1034 IonicContact OE2-NH1 3.3Å; E1029-L1035 HydrophobicContact CB-CD2 4.15Å; E1029-L1035 HydrophobicContact CG-CD2 4.38Å; E1029-L1035 HydrophobicContact CG-CG 4.39Å; E1029-N1058 WeakPolarHBondContact O-CB 3.43Å; E1029-N1058 PolarHBondContact O-ND2 3.33Å; E1029-R1141 IonicContact OE1-CZ 2.73Å; E1029-R1141 IonicContact OE1-NE 3.07Å; E1029-R1141 IonicContact OE1-NH2 2.74Å; E1029-R1141 PolarHBondContact OE1-NH2 2.74Å; E1029-R1141 IonicContact OE2-CZ 2.74Å; E1029-R1141 IonicContact OE2-NE 2.73Å; E1029-R1141 PolarHBondContact OE2-NE 3.03Å; E1029-R1141 IonicContact OE2-NH2 3.07Å; E1029-R1141 PolarHBondContact OE2-NH2 3.06Å; E1029-R1141 VanDerWaalsContact OE2-NH2 3.14Å
1030I91.2Very high78.5Confident10 Ų1065.4 Ų65.45%0.05139%0.385CS..  trans-1152.4178.568.1175.8000113.1F1028 P1032 L1055 N1058 R1059 L1062 H1165 M1166 L1169F1028-I1030 PolarHBondContact O-N 3.33Å; I1030-P1032 VanDerWaalsContact O-CD 3.31Å; I1030-P1032 WeakPolarHBondContact O-CD 3.33Å; I1030-L1055 HydrophobicContact CB-CD2 4.46Å; I1030-L1055 WeakPolarHBondContact O-CD2 3.44Å; I1030-N1058 HydrophobicContact CG2-CB 4.22Å; I1030-R1059 HydrophobicContact CG2-CB 3.92Å; I1030-L1062 HydrophobicContact CD1-CD2 4.21Å; I1030-H1165 WeakPolarHBondContact CD1-O 3.44Å; I1030-M1166 HydrophobicContact CD1-CE 3.58Å; I1030-M1166 HydrophobicContact CD1-SD 4.02Å; I1030-M1166 HydrophobicContact CG1-CE 3.41Å; I1030-M1166 VanDerWaalsContact CG1-CE 3.41Å; I1030-M1166 HydrophobicContact CG1-SD 4.49Å; I1030-L1169 HydrophobicContact CD1-CD1 3.76Å; I1030-L1169 HydrophobicContact CD1-CD2 4.1Å; I1030-L1169 HydrophobicContact CD1-CG 4.04Å
1031D90.5Very high76.7Confident24 Ų2466.5 Ų66.513%0.12840%0.403CS..  trans-79.6111.2169.1179.1-7.7000109.7E1029 S1033 R1034E1029-D1031 WeakPolarHBondContact OE1-CB 3.15Å; E1029-D1031 PolarHBondContact OE1-N 3.14Å; D1031-S1033 PolarHBondContact O-N 3.42Å; D1031-S1033 VanDerWaalsContact O-N 3.12Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.34Å; D1031-S1033 PolarHBondContact OD1-N 2.98Å; D1031-S1033 PolarHBondContact OD1-OG 2.94Å; D1031-S1033 PolarHBondContact OD2-OG 3.48Å; D1031-R1034 HydrophobicContact CB-CB 4.39Å; D1031-R1034 HydrophobicContact CB-CG 4.08Å; D1031-R1034 PolarHBondContact O-N 3.4Å; D1031-R1034 VanDerWaalsContact O-N 3.07Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.45Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.3Å; D1031-R1034 IonicContact OD2-NE 3.4Å; D1031-R1034 PolarHBondContact OD2-NE 3.01Å
1032P86.3Confident74.8Confident58 Ų5871.3 Ų71.338%0.37744%0.438SS..Hα-helixtrans-60.3-27.2-177.8-20.732.7000112.9I1030 R1034 L1051 L1055I1030-P1032 VanDerWaalsContact O-CD 3.31Å; I1030-P1032 WeakPolarHBondContact O-CD 3.33Å; P1032-R1034 PolarHBondContact O-N 3.44Å; P1032-L1051 HydrophobicContact CB-CD2 4.35Å; P1032-L1055 HydrophobicContact CB-CD1 4.18Å; P1032-L1055 HydrophobicContact CG-CD1 3.87Å; P1032-L1055 HydrophobicContact CG-CD2 4.36Å
1033S84.4Confident73.1Confident97 Ų9771.9 Ų71.968%0.67844%0.443SS*.Hα-helixtrans-70.8-14.7-179.376.30000113.6D1031D1031-S1033 PolarHBondContact O-N 3.42Å; D1031-S1033 VanDerWaalsContact O-N 3.12Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.31Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.34Å; D1031-S1033 PolarHBondContact OD1-N 2.98Å; D1031-S1033 PolarHBondContact OD1-OG 2.94Å; D1031-S1033 PolarHBondContact OD2-OG 3.48Å
1034R83.7Confident71.5Confident138 Ų13869.3 Ų69.352%0.52144%0.435SS..Hα-helixtrans-99.3-24.2-178.1-66.2179.5-176.2-136.7-2.5114E1029 D1031 P1032E1029-R1034 HydrophobicContact CG-CB 3.8Å; E1029-R1034 WeakPolarHBondContact OE2-CD 3.32Å; E1029-R1034 IonicContact OE2-NE 2.74Å; E1029-R1034 IonicContact OE2-NH1 3.3Å; D1031-R1034 HydrophobicContact CB-CB 4.39Å; D1031-R1034 HydrophobicContact CB-CG 4.08Å; D1031-R1034 PolarHBondContact O-N 3.4Å; D1031-R1034 VanDerWaalsContact O-N 3.07Å; D1031-R1034 WeakPolarHBondContact OD2-CD 3.45Å; D1031-R1034 WeakPolarHBondContact OD2-CG 3.3Å; D1031-R1034 IonicContact OD2-NE 3.4Å; D1031-R1034 PolarHBondContact OD2-NE 3.01Å; P1032-R1034 PolarHBondContact O-N 3.44Å
1035L81.4Confident70.3Confident48 Ų4869.2 Ų69.225%0.25144%0.443SS..Hα-helixtrans-79.4-22.5176.1-66.6174.1000112.7E1029 A1037 L1051 I1054 L1055E1029-L1035 HydrophobicContact CB-CD2 4.15Å; E1029-L1035 HydrophobicContact CG-CD2 4.38Å; E1029-L1035 HydrophobicContact CG-CG 4.39Å; L1035-A1037 PolarHBondContact O-N 3.06Å; L1035-L1051 HydrophobicContact CB-CD1 3.73Å; L1035-L1051 HydrophobicContact CD1-CD1 3.67Å; L1035-L1051 HydrophobicContact CG-CD1 4.37Å; L1035-I1054 HydrophobicContact CD1-CG2 4.01Å; L1035-L1055 HydrophobicContact CD1-CD2 3.54Å; L1035-L1055 HydrophobicContact CD1-CG 3.97Å
1036G63.9Low69.5Low48 Ų4873.3 Ų73.350%0.49546%0.46SS..  trans-94.324.1-165.500000118.2S1038G1036-S1038 PolarHBondContact O-N 2.86Å; G1036-S1038 VanDerWaalsContact O-N 3.15Å
1037A51.7Low68.6Low91 Ų9174 Ų7475%0.75246%0.463SS*.  trans-82.123.4-173.100000116L1035L1035-A1037 PolarHBondContact O-N 3.06Å
1038S48.6Very low68Low85 Ų8581.7 Ų81.759%0.59449%0.49SS*.  trans-106.6106172.855.60000110.2G1036 D1040G1036-S1038 PolarHBondContact O-N 2.86Å; G1036-S1038 VanDerWaalsContact O-N 3.15Å; S1038-D1040 VanDerWaalsContact C-N 3.26Å; S1038-D1040 PolarHBondContact O-N 2.75Å
1039N42.9Very low67.4Low155 Ų15586.9 Ų86.983%0.82952%0.517SS*.  trans-79.133.6-164.2-69.7-23.3000116.2S1041N1039-S1041 PolarHBondContact O-N 3.05Å
1040D48.5Very low66.9Low121 Ų12189.8 Ų89.865%0.64754%0.536SS*.  trans-90.497.6-178.2-66.2-18.9000111.2S1038 S1042S1038-D1040 VanDerWaalsContact C-N 3.26Å; S1038-D1040 PolarHBondContact O-N 2.75Å; D1040-S1042 VanDerWaalsContact C-N 3.26Å; D1040-S1042 PolarHBondContact O-N 2.99Å
1041S52.6Low66.7Low119 Ų11991.6 Ų91.683%0.83255%0.546SS*.THydrogen-bonded Turntrans-73.6-2-168.556.70000116.1N1039N1039-S1041 PolarHBondContact O-N 3.05Å
1042S51.3Low66.5Low111 Ų11193.5 Ų93.578%0.77656%0.561SS**THydrogen-bonded Turntrans-93.2-10.7-176.7470000114.9D1040D1040-S1042 VanDerWaalsContact C-N 3.26Å; D1040-S1042 PolarHBondContact O-N 2.99Å
1043T51.9Low66.7Low61 Ų6195.7 Ų95.737%0.37457%0.573SS.*  trans-110.923.2-171.7-35.80000113.6S1045 N1046 N1047T1043-S1045 PolarHBondContact O-N 3.04Å; T1043-N1046 HydrophobicContact CG2-CB 4.27Å; T1043-N1047 VanDerWaalsContact O-CB 3.26Å; T1043-N1047 WeakPolarHBondContact O-CB 3.17Å; T1043-N1047 PolarHBondContact O-N 2.52Å; T1043-N1047 PolarHBondContact O-OD1 3.41Å
1044A52.5Low67Low72 Ų7294.2 Ų94.260%0.59556%0.557SS**Hα-helixtrans-60.4-37.6-163.100000116.6R1048A1044-R1048 PolarHBondContact O-N 2.89Å; A1044-R1048 VanDerWaalsContact O-N 3.13Å
1045S56.1Low67.3Low89 Ų8989.2 Ų89.262%0.62254%0.54SS*.Hα-helixtrans-75-48.5-17859.60000112.4T1043 N1047 R1048 N1049T1043-S1045 PolarHBondContact O-N 3.04Å; S1045-N1047 VanDerWaalsContact C-N 3.28Å; S1045-N1047 PolarHBondContact O-N 3.27Å; S1045-R1048 WeakPolarHBondContact O-CB 3.11Å; S1045-R1048 PolarHBondContact O-N 3.45Å; S1045-R1048 VanDerWaalsContact O-N 3.07Å; S1045-N1049 PolarHBondContact O-N 2.92Å
1046N59.3Low67.8Low108 Ų10891.2 Ų91.258%0.57855%0.548SS*.Hα-helixtrans-61.7-38.4174.9-71.3-11.8000111.3T1043 R1048 T1050T1043-N1046 HydrophobicContact CG2-CB 4.27Å; N1046-R1048 VanDerWaalsContact C-N 3.32Å; N1046-R1048 PolarHBondContact O-N 3.27Å; N1046-T1050 VanDerWaalsContact O-CB 3.31Å; N1046-T1050 WeakPolarHBondContact O-CB 3.43Å; N1046-T1050 PolarHBondContact O-N 3.41Å; N1046-T1050 PolarHBondContact O-OG1 3.48Å
1047N67.8Low69.2Low71 Ų7194.4 Ų94.438%0.3855%0.545SS..Hα-helixtrans-62.8-34.5173.3-73.1-1000112.7T1043 S1045 L1051T1043-N1047 VanDerWaalsContact O-CB 3.26Å; T1043-N1047 WeakPolarHBondContact O-CB 3.17Å; T1043-N1047 PolarHBondContact O-N 2.52Å; T1043-N1047 PolarHBondContact O-OD1 3.41Å; S1045-N1047 VanDerWaalsContact C-N 3.28Å; S1045-N1047 PolarHBondContact O-N 3.27Å; N1047-L1051 WeakPolarHBondContact O-CB 3.3Å; N1047-L1051 PolarHBondContact O-N 3.11Å
1048R76.4Confident71.3Confident195 Ų19590 Ų9074%0.73651%0.51SS*.Hα-helixtrans-65.9-48.1178.2-169.1-179.2-177.497.2-1.2112.1A1044 S1045 N1046 T1050 L1051 S1052A1044-R1048 PolarHBondContact O-N 2.89Å; A1044-R1048 VanDerWaalsContact O-N 3.13Å; S1045-R1048 WeakPolarHBondContact O-CB 3.11Å; S1045-R1048 PolarHBondContact O-N 3.45Å; S1045-R1048 VanDerWaalsContact O-N 3.07Å; N1046-R1048 VanDerWaalsContact C-N 3.32Å; N1046-R1048 PolarHBondContact O-N 3.27Å; R1048-T1050 VanDerWaalsContact C-N 3.35Å; R1048-L1051 PolarHBondContact O-N 2.92Å; R1048-S1052 PolarHBondContact O-N 3.29Å; R1048-S1052 PolarHBondContact O-OG 3.5Å
1049N80.9Confident73.5Confident110 Ų11088.7 Ų88.759%0.58849%0.492SS*.Hα-helixtrans-64.3-42.4177.6-70.7-2.7000111S1045 L1051 S1052 V1053S1045-N1049 PolarHBondContact O-N 2.92Å; N1049-L1051 PolarHBondContact O-N 3.33Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.23Å; N1049-S1052 PolarHBondContact O-N 3.21Å; N1049-S1052 PolarHBondContact O-OG 3.42Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.49Å; N1049-V1053 PolarHBondContact O-N 2.82Å
1050T83.7Confident75.9Confident75 Ų7585.2 Ų85.246%0.4648%0.476SS..Hα-helixtrans-62-43.3176.3-55.10000111.2N1046 R1048 V1053 I1054N1046-T1050 VanDerWaalsContact O-CB 3.31Å; N1046-T1050 WeakPolarHBondContact O-CB 3.43Å; N1046-T1050 PolarHBondContact O-N 3.41Å; N1046-T1050 PolarHBondContact O-OG1 3.48Å; R1048-T1050 VanDerWaalsContact C-N 3.35Å; T1050-V1053 PolarHBondContact O-N 3.24Å; T1050-I1054 HydrophobicContact CG2-CD1 3.91Å; T1050-I1054 VanDerWaalsContact O-CG1 3.3Å; T1050-I1054 WeakPolarHBondContact O-CG1 3.36Å; T1050-I1054 PolarHBondContact O-N 3.29Å
1051L86.8Confident78.1Confident48 Ų4880.1 Ų80.125%0.25145%0.451SS..Hα-helixtrans-62.5-42.4175.9179.661.3000111.9P1032 L1035 N1047 R1048 N1049 V1053 I1054 L1055P1032-L1051 HydrophobicContact CB-CD2 4.35Å; L1035-L1051 HydrophobicContact CB-CD1 3.73Å; L1035-L1051 HydrophobicContact CD1-CD1 3.67Å; L1035-L1051 HydrophobicContact CG-CD1 4.37Å; N1047-L1051 WeakPolarHBondContact O-CB 3.3Å; N1047-L1051 PolarHBondContact O-N 3.11Å; R1048-L1051 PolarHBondContact O-N 2.92Å; N1049-L1051 PolarHBondContact O-N 3.33Å; L1051-V1053 PolarHBondContact O-N 2.84Å; L1051-I1054 PolarHBondContact O-N 2.98Å; L1051-L1055 HydrophobicContact CD1-CD1 4.15Å; L1051-L1055 HydrophobicContact CD1-CG 4.14Å; L1051-L1055 HydrophobicContact CG-CD1 3.89Å; L1051-L1055 HydrophobicContact CG-CG 4.36Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 WeakPolarHBondContact O-CG 3.41Å; L1051-L1055 PolarHBondContact O-N 2.79Å
1052S86.6Confident80.2Confident64 Ų6474.5 Ų74.545%0.44841%0.411SS..Hα-helixtrans-62.5-39.3174.544.90000113.1R1048 N1049 L1055 E1056R1048-S1052 PolarHBondContact O-N 3.29Å; R1048-S1052 PolarHBondContact O-OG 3.5Å; N1049-S1052 WeakPolarHBondContact CA-OG 3.23Å; N1049-S1052 PolarHBondContact O-N 3.21Å; N1049-S1052 PolarHBondContact O-OG 3.42Å; S1052-L1055 PolarHBondContact O-N 3.19Å; S1052-E1056 PolarHBondContact O-N 2.93Å
1053V89.3Confident82.3Confident104 Ų10470.8 Ų70.863%0.6338%0.382SS*.Hα-helixtrans-67.9-40.3176.4173.40000111.4N1049 T1050 L1051 R1057N1049-V1053 WeakPolarHBondContact O-CG2 3.49Å; N1049-V1053 PolarHBondContact O-N 2.82Å; T1050-V1053 PolarHBondContact O-N 3.24Å; L1051-V1053 PolarHBondContact O-N 2.84Å; V1053-R1057 WeakPolarHBondContact O-CB 3.47Å; V1053-R1057 PolarHBondContact O-N 3.1Å
1054I90.2Very high84.4Confident65 Ų6575.3 Ų75.333%0.33340%0.397SS..Hα-helixtrans-64-45.9174.5-68.8167.4000110.7L1035 T1050 L1051 E1056 R1057 N1058L1035-I1054 HydrophobicContact CD1-CG2 4.01Å; T1050-I1054 HydrophobicContact CG2-CD1 3.91Å; T1050-I1054 VanDerWaalsContact O-CG1 3.3Å; T1050-I1054 WeakPolarHBondContact O-CG1 3.36Å; T1050-I1054 PolarHBondContact O-N 3.29Å; L1051-I1054 PolarHBondContact O-N 2.98Å; I1054-E1056 PolarHBondContact O-N 3.22Å; I1054-R1057 PolarHBondContact O-N 2.92Å; I1054-N1058 WeakPolarHBondContact O-CB 3.41Å; I1054-N1058 PolarHBondContact O-N 2.71Å; I1054-N1058 PolarHBondContact O-OD1 3.25Å; I1054-N1058 VanDerWaalsContact O-OD1 3.08Å
1055L92Very high86.4Confident33 Ų3372.7 Ų72.717%0.17337%0.373CS..Hα-helixtrans-60-45178.5-76.2167.5000111.7I1030 P1032 L1035 L1051 S1052 N1058 R1059I1030-L1055 HydrophobicContact CB-CD2 4.46Å; I1030-L1055 WeakPolarHBondContact O-CD2 3.44Å; P1032-L1055 HydrophobicContact CB-CD1 4.18Å; P1032-L1055 HydrophobicContact CG-CD1 3.87Å; P1032-L1055 HydrophobicContact CG-CD2 4.36Å; L1035-L1055 HydrophobicContact CD1-CD2 3.54Å; L1035-L1055 HydrophobicContact CD1-CG 3.97Å; L1051-L1055 HydrophobicContact CD1-CD1 4.15Å; L1051-L1055 HydrophobicContact CD1-CG 4.14Å; L1051-L1055 HydrophobicContact CG-CD1 3.89Å; L1051-L1055 HydrophobicContact CG-CG 4.36Å; L1051-L1055 WeakPolarHBondContact O-CB 3.47Å; L1051-L1055 WeakPolarHBondContact O-CG 3.41Å; L1051-L1055 PolarHBondContact O-N 2.79Å; S1052-L1055 PolarHBondContact O-N 3.19Å; L1055-N1058 PolarHBondContact O-N 3.24Å; L1055-R1059 VanDerWaalsContact O-CB 3.22Å; L1055-R1059 WeakPolarHBondContact O-CB 3.24Å; L1055-R1059 PolarHBondContact O-N 2.98Å
1056E91.6Very high88.3Confident90 Ų9068.5 Ų68.542%0.42134%0.344SS..Hα-helixtrans-69.8-35.9179.5-167.555.8-147.100112.1S1052 I1054 R1059 T1060S1052-E1056 PolarHBondContact O-N 2.93Å; I1054-E1056 PolarHBondContact O-N 3.22Å; E1056-R1059 PolarHBondContact O-N 2.88Å; E1056-R1059 IonicContact OE1-NH1 3.14Å; E1056-R1059 PolarHBondContact OE1-NH1 2.87Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.29Å; E1056-R1059 IonicContact OE2-CZ 3.35Å; E1056-R1059 IonicContact OE2-NH1 2.75Å; E1056-R1059 PolarHBondContact OE2-NH1 2.74Å; E1056-T1060 WeakPolarHBondContact O-CB 3.49Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.46Å
1057R92.7Very high90.1Very high115 Ų11565 Ų6543%0.43433%0.33SS..Hα-helixtrans-62.7-47.8170.7-171.2-162.968.586.54.7111.7D1026 V1053 I1054 R1059 T1060 A1061D1026-R1057 IonicContact OD1-NH1 2.69Å; D1026-R1057 PolarHBondContact OD1-NH1 2.89Å; D1026-R1057 VanDerWaalsContact OD1-NH1 3.15Å; V1053-R1057 WeakPolarHBondContact O-CB 3.47Å; V1053-R1057 PolarHBondContact O-N 3.1Å; I1054-R1057 PolarHBondContact O-N 2.92Å; R1057-R1059 VanDerWaalsContact C-N 3.34Å; R1057-R1059 PolarHBondContact O-N 3.19Å; R1057-T1060 PolarHBondContact O-N 3.46Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 2.98Å
1058N94.7Very high91.4Very high0 Ų064.2 Ų64.20%033%0.325CS..Hα-helixtrans-62.2-41.8178.5-71.612.6000111D1027 E1029 I1030 I1054 L1055 A1061 L1062D1027-N1058 PolarHBondContact O-OD1 2.73Å; D1027-N1058 VanDerWaalsContact O-OD1 3.14Å; E1029-N1058 WeakPolarHBondContact O-CB 3.43Å; E1029-N1058 PolarHBondContact O-ND2 3.33Å; I1030-N1058 HydrophobicContact CG2-CB 4.22Å; I1054-N1058 WeakPolarHBondContact O-CB 3.41Å; I1054-N1058 PolarHBondContact O-N 2.71Å; I1054-N1058 PolarHBondContact O-OD1 3.25Å; I1054-N1058 VanDerWaalsContact O-OD1 3.08Å; L1055-N1058 PolarHBondContact O-N 3.24Å; N1058-A1061 PolarHBondContact O-N 2.89Å; N1058-L1062 WeakPolarHBondContact O-CB 3.16Å; N1058-L1062 PolarHBondContact O-N 2.83Å
1059R94.9Very high92.4Very high57 Ų5755 Ų5522%0.21529%0.29CS..Hα-helixtrans-63.2-46.7175.2179.5-176.5172.1-149.9-1.2112.1I1030 L1055 E1056 R1057 A1061 L1062 L1063 A1168 L1169I1030-R1059 HydrophobicContact CG2-CB 3.92Å; L1055-R1059 VanDerWaalsContact O-CB 3.22Å; L1055-R1059 WeakPolarHBondContact O-CB 3.24Å; L1055-R1059 PolarHBondContact O-N 2.98Å; E1056-R1059 PolarHBondContact O-N 2.88Å; E1056-R1059 IonicContact OE1-NH1 3.14Å; E1056-R1059 PolarHBondContact OE1-NH1 2.87Å; E1056-R1059 WeakPolarHBondContact OE2-CD 3.29Å; E1056-R1059 IonicContact OE2-CZ 3.35Å; E1056-R1059 IonicContact OE2-NH1 2.75Å; E1056-R1059 PolarHBondContact OE2-NH1 2.74Å; R1057-R1059 VanDerWaalsContact C-N 3.34Å; R1057-R1059 PolarHBondContact O-N 3.19Å; R1059-A1061 VanDerWaalsContact C-N 3.32Å; R1059-A1061 PolarHBondContact O-N 3.46Å; R1059-L1062 PolarHBondContact O-N 3.21Å; R1059-L1063 HydrophobicContact CG-CD1 4.19Å; R1059-L1063 WeakPolarHBondContact O-CB 3.21Å; R1059-L1063 WeakPolarHBondContact O-CG 3.48Å; R1059-L1063 PolarHBondContact O-N 3.19Å; R1059-A1168 PolarHBondContact NH2-O 3.48Å; R1059-L1169 HydrophobicContact CG-CD2 3.88Å
1060T94.4Very high93.2Very high81 Ų8150 Ų5050%0.49726%0.263SS..Hα-helixtrans-61.2-42.8176.9-58.90000110.7E1056 R1057 K1064E1056-T1060 WeakPolarHBondContact O-CB 3.49Å; E1056-T1060 PolarHBondContact O-N 3.41Å; E1056-T1060 PolarHBondContact O-OG1 3.46Å; R1057-T1060 PolarHBondContact O-N 3.46Å; T1060-K1064 VanDerWaalsContact O-CB 3.28Å; T1060-K1064 WeakPolarHBondContact O-CB 3.47Å; T1060-K1064 PolarHBondContact O-N 3.48Å
1061A94.2Very high93.8Very high15 Ų1552.5 Ų52.512%0.12427%0.269CS..Hα-helixtrans-66-40.9176.200000112.5F1028 R1057 N1058 R1059 N1065F1028-A1061 HydrophobicContact CD1-CB 3.76Å; F1028-A1061 HydrophobicContact CE1-CB 3.69Å; R1057-A1061 WeakPolarHBondContact O-CB 3.44Å; R1057-A1061 PolarHBondContact O-N 2.98Å; N1058-A1061 PolarHBondContact O-N 2.89Å; R1059-A1061 VanDerWaalsContact C-N 3.32Å; R1059-A1061 PolarHBondContact O-N 3.46Å; A1061-N1065 PolarHBondContact O-N 3.33Å; A1061-N1065 VanDerWaalsContact O-N 3.16Å; A1061-N1065 PolarHBondContact O-ND2 3.21Å
1062L96.1Very high94.3Very high0 Ų053.7 Ų53.70%027%0.27CS..Hα-helixtrans-60.4-53.8174178.658.8000111.2F1028 I1030 N1058 R1059 K1064 N1065 V1066 L1145 I1146 V1149 L1169F1028-L1062 HydrophobicContact CB-CB 4.09Å; F1028-L1062 HydrophobicContact CB-CD1 4.2Å; F1028-L1062 HydrophobicContact CD2-CD1 4.21Å; F1028-L1062 HydrophobicContact CG-CB 4.34Å; F1028-L1062 HydrophobicContact CG-CD1 4.45Å; I1030-L1062 HydrophobicContact CD1-CD2 4.21Å; N1058-L1062 WeakPolarHBondContact O-CB 3.16Å; N1058-L1062 PolarHBondContact O-N 2.83Å; R1059-L1062 PolarHBondContact O-N 3.21Å; L1062-K1064 VanDerWaalsContact C-N 3.35Å; L1062-K1064 PolarHBondContact O-N 3.22Å; L1062-N1065 PolarHBondContact O-N 2.78Å; L1062-N1065 VanDerWaalsContact O-N 3.17Å; L1062-V1066 HydrophobicContact CD1-CG2 4.03Å; L1062-V1066 HydrophobicContact CG-CG2 4.42Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.29Å; L1062-V1066 PolarHBondContact O-N 2.74Å; L1062-L1145 HydrophobicContact CD1-CB 3.93Å; L1062-L1145 HydrophobicContact CD2-CB 4.37Å; L1062-I1146 HydrophobicContact CD1-CG1 3.82Å; L1062-V1149 HydrophobicContact CD2-CG2 4.32Å; L1062-L1169 HydrophobicContact CD2-CD1 4.01Å; L1062-L1169 HydrophobicContact CD2-CD2 4.47Å
1063L96.2Very high94.8Very high33 Ų3350.7 Ų50.717%0.17325%0.249CC..Hα-helixtrans-60.6-42.2-179.5-75.1176.5000111.9R1059 N1065 V1066 A1067 L1169 F1172R1059-L1063 HydrophobicContact CG-CD1 4.19Å; R1059-L1063 WeakPolarHBondContact O-CB 3.21Å; R1059-L1063 WeakPolarHBondContact O-CG 3.48Å; R1059-L1063 PolarHBondContact O-N 3.19Å; L1063-N1065 VanDerWaalsContact C-N 3.32Å; L1063-N1065 PolarHBondContact O-N 2.77Å; L1063-V1066 PolarHBondContact O-N 2.84Å; L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.97Å; L1063-L1169 HydrophobicContact CD1-CD2 4.17Å; L1063-L1169 HydrophobicContact CD2-CB 4.45Å; L1063-L1169 HydrophobicContact CD2-CD2 3.77Å; L1063-L1169 HydrophobicContact CG-CD2 3.85Å; L1063-F1172 HydrophobicContact CD2-CB 3.67Å; L1063-F1172 HydrophobicContact CD2-CD1 4.26Å; L1063-F1172 HydrophobicContact CD2-CG 3.99Å
1064K95.1Very high95.1Very high156 Ų15649.1 Ų49.168%0.67824%0.235SC*.Hα-helixtrans-56.5-44.7174.6-178.6-178176.9-176.10112.2T1060 L1062 M1068T1060-K1064 VanDerWaalsContact O-CB 3.28Å; T1060-K1064 WeakPolarHBondContact O-CB 3.47Å; T1060-K1064 PolarHBondContact O-N 3.48Å; L1062-K1064 VanDerWaalsContact C-N 3.35Å; L1062-K1064 PolarHBondContact O-N 3.22Å; K1064-M1068 VanDerWaalsContact O-CB 3.31Å; K1064-M1068 WeakPolarHBondContact O-CB 3.46Å; K1064-M1068 PolarHBondContact O-N 3.27Å
1065N94.9Very high95.2Very high17 Ų1749.7 Ų49.79%0.09125%0.245CC..Hα-helixtrans-73.8-37.5-179.7-77.4-80.8000112.6L1021 F1028 A1061 L1062 L1063 I1069 I1146L1021-N1065 WeakPolarHBondContact CD2-OD1 3.46Å; F1028-N1065 HydrophobicContact CE2-CB 4.34Å; F1028-N1065 HydrophobicContact CZ-CB 4.44Å; F1028-N1065 VanDerWaalsContact CZ-ND2 3.29Å; F1028-N1065 WeakPolarHBondContact CZ-ND2 3.46Å; A1061-N1065 PolarHBondContact O-N 3.33Å; A1061-N1065 VanDerWaalsContact O-N 3.16Å; A1061-N1065 PolarHBondContact O-ND2 3.21Å; L1062-N1065 PolarHBondContact O-N 2.78Å; L1062-N1065 VanDerWaalsContact O-N 3.17Å; L1063-N1065 VanDerWaalsContact C-N 3.32Å; L1063-N1065 PolarHBondContact O-N 2.77Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; N1065-I1069 PolarHBondContact O-N 2.98Å; N1065-I1146 HydrophobicContact CB-CD1 4.01Å
1066V96.8Very high95.3Very high1 Ų148.1 Ų48.11%0.00624%0.237CC..Hα-helixtrans-64.1-47.9174.2173.80000110.9L1062 L1063 M1068 I1069 W1070 I1146 V1149 F1172L1062-V1066 HydrophobicContact CD1-CG2 4.03Å; L1062-V1066 HydrophobicContact CG-CG2 4.42Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.29Å; L1062-V1066 PolarHBondContact O-N 2.74Å; L1063-V1066 PolarHBondContact O-N 2.84Å; V1066-M1068 PolarHBondContact O-N 3.02Å; V1066-I1069 PolarHBondContact O-N 2.96Å; V1066-W1070 WeakPolarHBondContact O-CB 3.39Å; V1066-W1070 PolarHBondContact O-N 3.26Å; V1066-I1146 HydrophobicContact CG2-CB 4.3Å; V1066-I1146 HydrophobicContact CG2-CG1 4.15Å; V1066-I1146 HydrophobicContact CG2-CG2 4.21Å; V1066-V1149 HydrophobicContact CG1-CB 4.22Å; V1066-V1149 HydrophobicContact CG1-CG1 3.87Å; V1066-V1149 HydrophobicContact CG2-CB 4.01Å; V1066-V1149 HydrophobicContact CG2-CG1 4.29Å; V1066-V1149 HydrophobicContact CG2-CG2 4.44Å; V1066-F1172 HydrophobicContact CG1-CD1 4.33Å; V1066-F1172 HydrophobicContact CG1-CE1 3.58Å; V1066-F1172 HydrophobicContact CG1-CZ 4.07Å
1067A96.8Very high95.3Very high35 Ų3546.1 Ų46.129%0.28923%0.227SC..Hα-helixtrans-61.3-42.2177.600000111.9L1063 I1069 W1070 Q1071 F1172L1063-A1067 VanDerWaalsContact O-CB 3.26Å; L1063-A1067 WeakPolarHBondContact O-CB 3.31Å; L1063-A1067 PolarHBondContact O-N 2.97Å; A1067-I1069 PolarHBondContact O-N 2.94Å; A1067-W1070 PolarHBondContact O-N 3.11Å; A1067-Q1071 VanDerWaalsContact O-CB 3.3Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.21Å; A1067-Q1071 PolarHBondContact O-N 3.5Å; A1067-F1172 HydrophobicContact CB-CE2 3.79Å; A1067-F1172 HydrophobicContact CB-CZ 4.27Å
1068M96.1Very high95.2Very high55 Ų5542.1 Ų42.127%0.27122%0.217SC..Hα-helixtrans-61.2-40.9174.8-178.8177.96300112.5V1017 K1064 V1066 R1072V1017-M1068 HydrophobicContact CB-CE 4.36Å; V1017-M1068 HydrophobicContact CG1-CE 3.6Å; V1017-M1068 HydrophobicContact CG2-CE 3.97Å; K1064-M1068 VanDerWaalsContact O-CB 3.31Å; K1064-M1068 WeakPolarHBondContact O-CB 3.46Å; K1064-M1068 PolarHBondContact O-N 3.27Å; V1066-M1068 PolarHBondContact O-N 3.02Å; M1068-R1072 WeakPolarHBondContact O-CG 3.25Å; M1068-R1072 PolarHBondContact O-N 2.74Å; M1068-R1072 VanDerWaalsContact O-N 3.15Å
1069I97.1Very high95Very high1 Ų146.1 Ų46.11%0.00523%0.234CC..Hα-helixtrans-68.1-44.6176-71.7166.1000110.7L1014 V1017 N1065 V1066 A1067 R1072 I1073 I1121 I1146 L1150L1014-I1069 HydrophobicContact CD2-CG2 3.95Å; V1017-I1069 HydrophobicContact CB-CG1 4.39Å; V1017-I1069 HydrophobicContact CG1-CD1 3.85Å; V1017-I1069 HydrophobicContact CG1-CG1 3.67Å; N1065-I1069 WeakPolarHBondContact O-CG1 3.4Å; N1065-I1069 PolarHBondContact O-N 2.98Å; V1066-I1069 PolarHBondContact O-N 2.96Å; A1067-I1069 PolarHBondContact O-N 2.94Å; I1069-R1072 PolarHBondContact O-N 2.73Å; I1069-I1073 HydrophobicContact CG2-CD1 3.77Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.46Å; I1069-I1073 PolarHBondContact O-N 3.24Å; I1069-I1121 HydrophobicContact CG2-CD1 4.09Å; I1069-I1146 HydrophobicContact CD1-CD1 4.34Å; I1069-I1146 HydrophobicContact CD1-CG2 3.45Å; I1069-I1146 VanDerWaalsContact CD1-CG2 3.45Å; I1069-L1150 HydrophobicContact CG2-CD2 4.08Å
1070W97.7Very high94.9Very high5 Ų543.5 Ų43.52%0.01922%0.224CC..Hα-helixtrans-60.4-50178.7176.4-130.3000111.8V1066 A1067 R1072 I1073 E1074 F1113 L1150 L1153 F1172 E1176 T1179 M1180 F1183V1066-W1070 WeakPolarHBondContact O-CB 3.39Å; V1066-W1070 PolarHBondContact O-N 3.26Å; A1067-W1070 PolarHBondContact O-N 3.11Å; W1070-R1072 VanDerWaalsContact C-N 3.27Å; W1070-R1072 PolarHBondContact O-N 2.69Å; W1070-I1073 HydrophobicContact CE3-CB 4.23Å; W1070-I1073 HydrophobicContact CE3-CG2 4.3Å; W1070-I1073 HydrophobicContact CZ3-CB 4.41Å; W1070-I1073 HydrophobicContact CZ3-CG2 4.01Å; W1070-I1073 WeakPolarHBondContact O-CA 3.22Å; W1070-I1073 WeakPolarHBondContact O-CB 3.25Å; W1070-I1073 PolarHBondContact O-N 3.46Å; W1070-E1074 PolarHBondContact O-N 3.38Å; W1070-F1113 HydrophobicContact CZ3-CE1 4.49Å; W1070-F1113 HydrophobicContact CZ3-CZ 4.03Å; W1070-L1150 HydrophobicContact CB-CD1 4.5Å; W1070-L1150 HydrophobicContact CE3-CD1 4.29Å; W1070-L1153 HydrophobicContact CD2-CD2 4Å; W1070-L1153 HydrophobicContact CG-CD2 4.13Å; W1070-F1172 HydrophobicContact CB-CZ 4.4Å; W1070-E1176 PolarHBondContact NE1-OE2 2.83Å; W1070-T1179 HydrophobicContact CZ2-CG2 4Å; W1070-M1180 HydrophobicContact CE3-CE 3.84Å; W1070-M1180 HydrophobicContact CH2-CB 4.18Å; W1070-M1180 HydrophobicContact CH2-CE 3.45Å; W1070-M1180 VanDerWaalsContact CH2-CE 3.45Å; W1070-M1180 HydrophobicContact CH2-SD 3.73Å; W1070-M1180 HydrophobicContact CZ2-CB 4.15Å; W1070-M1180 HydrophobicContact CZ2-CE 4.11Å; W1070-M1180 HydrophobicContact CZ3-CE 3.28Å; W1070-M1180 HydrophobicContact CZ3-SD 3.98Å; W1070-F1183 HydrophobicContact CH2-CB 4.07Å; W1070-F1183 HydrophobicContact CH2-CD1 4.1Å; W1070-F1183 HydrophobicContact CH2-CG 4.07Å; W1070-F1183 HydrophobicContact CZ3-CD1 4.34Å
1071Q96.2Very high94.8Very high128 Ų12839.8 Ų39.860%0.59820%0.201SC*.Hα-helixtrans-58.4-37.2176.1-170.6-174.815.100112.3A1067 S1075A1067-Q1071 VanDerWaalsContact O-CB 3.3Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.21Å; A1067-Q1071 PolarHBondContact O-N 3.5Å; Q1071-S1075 VanDerWaalsContact O-CB 3.29Å; Q1071-S1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-S1075 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-OG 2.93Å
1072R96.7Very high94.7Very high73 Ų7341 Ų4128%0.27520%0.204SC..Hα-helixtrans-68.2-36173.8-77.1-168.269.972.31.2112.9Y1012 V1013 M1068 I1069 W1070 S1075 S1076Y1012-R1072 PolarHBondContact O-NH2 3.38Å; V1013-R1072 HydrophobicContact CG1-CB 4.26Å; V1013-R1072 PolarHBondContact O-NE 3.13Å; M1068-R1072 WeakPolarHBondContact O-CG 3.25Å; M1068-R1072 PolarHBondContact O-N 2.74Å; M1068-R1072 VanDerWaalsContact O-N 3.15Å; I1069-R1072 PolarHBondContact O-N 2.73Å; W1070-R1072 VanDerWaalsContact C-N 3.27Å; W1070-R1072 PolarHBondContact O-N 2.69Å; R1072-S1075 PolarHBondContact O-OG 2.74Å; R1072-S1076 WeakPolarHBondContact O-CB 3.45Å; R1072-S1076 PolarHBondContact O-N 3.36Å; R1072-S1076 PolarHBondContact O-OG 2.89Å; R1072-S1076 VanDerWaalsContact O-OG 3.05Å
1073I97Very high94.6Very high0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-67.3-53.9175.4-67.8162.3000109.7V1013 I1069 W1070 S1075 S1076 F1113 I1117 L1150 F1183V1013-I1073 HydrophobicContact CG1-CG1 3.67Å; I1069-I1073 HydrophobicContact CG2-CD1 3.77Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.46Å; I1069-I1073 PolarHBondContact O-N 3.24Å; W1070-I1073 HydrophobicContact CE3-CB 4.23Å; W1070-I1073 HydrophobicContact CE3-CG2 4.3Å; W1070-I1073 HydrophobicContact CZ3-CB 4.41Å; W1070-I1073 HydrophobicContact CZ3-CG2 4.01Å; W1070-I1073 WeakPolarHBondContact O-CA 3.22Å; W1070-I1073 WeakPolarHBondContact O-CB 3.25Å; W1070-I1073 PolarHBondContact O-N 3.46Å; I1073-S1075 PolarHBondContact O-N 3.41Å; I1073-S1076 PolarHBondContact O-N 3.22Å; I1073-S1076 PolarHBondContact O-OG 3.26Å; I1073-F1113 HydrophobicContact CD1-CE1 4.16Å; I1073-F1113 HydrophobicContact CG2-CE1 4.35Å; I1073-F1113 HydrophobicContact CG2-CZ 4.15Å; I1073-I1117 HydrophobicContact CD1-CD1 4.24Å; I1073-I1117 HydrophobicContact CD1-CG2 3.9Å; I1073-I1117 HydrophobicContact CG1-CD1 4.4Å; I1073-I1117 HydrophobicContact CG2-CD1 4.32Å; I1073-L1150 HydrophobicContact CD1-CD1 4.41Å; I1073-L1150 HydrophobicContact CD1-CD2 3.88Å; I1073-F1183 HydrophobicContact CG2-CE1 4.08Å; I1073-F1183 HydrophobicContact CG2-CE2 4.12Å; I1073-F1183 HydrophobicContact CG2-CZ 3.6Å
1074E95.6Very high94.5Very high71 Ų7140.6 Ų40.633%0.33220%0.201SC..Hα-helixtrans-55.9-53.7-179.5-171.2-162.2-178.700111.8W1070 S1076 Q1077 T1179W1070-E1074 PolarHBondContact O-N 3.38Å; E1074-S1076 PolarHBondContact O-N 3.29Å; E1074-S1076 VanDerWaalsContact O-N 3.12Å; E1074-Q1077 WeakPolarHBondContact O-CB 3.22Å; E1074-Q1077 WeakPolarHBondContact O-CG 3.21Å; E1074-Q1077 PolarHBondContact O-N 2.97Å; E1074-T1179 HydrophobicContact CG-CG2 4.4Å; E1074-T1179 VanDerWaalsContact OE1-CG2 3.3Å; E1074-T1179 WeakPolarHBondContact OE1-CG2 3.44Å
1075S93.6Very high94.5Very high77 Ų7733.2 Ų33.254%0.53817%0.169SC..Hα-helixtrans-65.8-14.8179.260.30000114.1Q1071 R1072 I1073Q1071-S1075 VanDerWaalsContact O-CB 3.29Å; Q1071-S1075 WeakPolarHBondContact O-CB 3.29Å; Q1071-S1075 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-OG 2.93Å; R1072-S1075 PolarHBondContact O-OG 2.74Å; I1073-S1075 PolarHBondContact O-N 3.41Å
1076S93.9Very high94.4Very high0 Ų034.9 Ų34.90%018%0.178CC..THydrogen-bonded Turntrans-91.22.8177.573.60000114.8Y1009 V1013 R1072 I1073 E1074 C1078 K1079 L1080Y1009-S1076 WeakPolarHBondContact CE2-OG 3.03Å; Y1009-S1076 PolarHBondContact OH-OG 3.04Å; V1013-S1076 VanDerWaalsContact CG2-OG 3.28Å; V1013-S1076 WeakPolarHBondContact CG2-OG 3.41Å; R1072-S1076 WeakPolarHBondContact O-CB 3.45Å; R1072-S1076 PolarHBondContact O-N 3.36Å; R1072-S1076 PolarHBondContact O-OG 2.89Å; R1072-S1076 VanDerWaalsContact O-OG 3.05Å; I1073-S1076 PolarHBondContact O-N 3.22Å; I1073-S1076 PolarHBondContact O-OG 3.26Å; E1074-S1076 PolarHBondContact O-N 3.29Å; E1074-S1076 VanDerWaalsContact O-N 3.12Å; S1076-C1078 PolarHBondContact O-N 3.19Å; S1076-K1079 WeakPolarHBondContact O-CA 3.38Å; S1076-K1079 PolarHBondContact O-N 3.33Å; S1076-L1080 PolarHBondContact O-N 3.21Å
1077Q91.8Very high94.4Very high48 Ų4834.9 Ų34.922%0.22418%0.178CC..THydrogen-bonded Turntrans-53.6-28.2179.566.4-176.4-9.500114.7E1074 K1079 F1183 S1186 V1187 N1194E1074-Q1077 WeakPolarHBondContact O-CB 3.22Å; E1074-Q1077 WeakPolarHBondContact O-CG 3.21Å; E1074-Q1077 PolarHBondContact O-N 2.97Å; Q1077-K1079 VanDerWaalsContact C-N 3.33Å; Q1077-F1183 HydrophobicContact CB-CD2 4.15Å; Q1077-F1183 HydrophobicContact CB-CE2 3.91Å; Q1077-S1186 PolarHBondContact OE1-OG 3.32Å; Q1077-V1187 HydrophobicContact CB-CG1 4.36Å; Q1077-N1194 PolarHBondContact NE2-ND2 3.02Å
1078C89.3Confident94.3Very high32 Ų3233.2 Ų33.222%0.21616%0.164CC..THydrogen-bonded Turntrans-82.6-5.1175.962.90000114.1S1076 N1194 L1197 S1198S1076-C1078 PolarHBondContact O-N 3.19Å; C1078-N1194 HydrophobicContact CB-CB 4.01Å; C1078-L1197 HydrophobicContact CB-CB 4.04Å; C1078-L1197 CarbonylContact O-C 3.38Å; C1078-L1197 VanDerWaalsContact O-O 3.08Å; C1078-S1198 WeakPolarHBondContact O-CA 3.42Å; C1078-S1198 PolarHBondContact O-N 3.5Å; C1078-S1198 VanDerWaalsContact O-N 3.16Å
1079K90.2Very high94.3Very high84 Ų8431.7 Ų31.737%0.36516%0.158SC..THydrogen-bonded Turntrans-113.40.5176.5-67.9-175.7174.1-171.60113Y1009 Y1012 S1076 Q1077 T1199Y1009-K1079 HydrophobicContact CD2-CB 4.46Å; Y1009-K1079 VanDerWaalsContact CD2-O 3.32Å; Y1009-K1079 WeakPolarHBondContact CD2-O 3.46Å; Y1012-K1079 HydrophobicContact CD1-CD 4.11Å; Y1012-K1079 HydrophobicContact CE1-CD 3.51Å; Y1012-K1079 HydrophobicContact CE2-CD 4.16Å; Y1012-K1079 VanDerWaalsContact CZ-NZ 3.26Å; Y1012-K1079 PolarHBondContact OH-NZ 3.36Å; S1076-K1079 WeakPolarHBondContact O-CA 3.38Å; S1076-K1079 PolarHBondContact O-N 3.33Å; Q1077-K1079 VanDerWaalsContact C-N 3.33Å; K1079-T1199 PolarHBondContact O-OG1 2.71Å
1080L93.1Very high94.2Very high1 Ų132.8 Ų32.81%0.00517%0.167CC..SBendtrans-63.2129.4169.3-174.972.1000108.5Y1009 S1076 L1084 R1085 F1088 V1187 S1198Y1009-L1080 HydrophobicContact CD1-CD1 4Å; Y1009-L1080 HydrophobicContact CE1-CD1 3.68Å; Y1009-L1080 HydrophobicContact CE2-CB 4.22Å; Y1009-L1080 HydrophobicContact CE2-CD1 4.27Å; Y1009-L1080 HydrophobicContact CG-CD1 4.42Å; S1076-L1080 PolarHBondContact O-N 3.21Å; L1080-L1084 HydrophobicContact CD1-CD1 3.96Å; L1080-L1084 HydrophobicContact CG-CB 4.34Å; L1080-R1085 HydrophobicContact CD2-CG 3.85Å; L1080-R1085 HydrophobicContact CG-CG 4.29Å; L1080-F1088 HydrophobicContact CD2-CD2 4.14Å; L1080-F1088 HydrophobicContact CD2-CE2 3.98Å; L1080-V1187 HydrophobicContact CD2-CB 3.7Å; L1080-V1187 HydrophobicContact CD2-CG1 3.8Å; L1080-S1198 WeakPolarHBondContact O-CB 3.43Å
1081P93.1Very high94Very high3 Ų332.6 Ų32.62%0.01917%0.167CC..  trans-51.9143-176.7-29.233.8000114E1083 L1084 R1085 T1199P1081-E1083 WeakPolarHBondContact CB-OE2 3.33Å; P1081-E1083 PolarHBondContact O-N 3.31Å; P1081-L1084 HydrophobicContact CB-CG 4.41Å; P1081-L1084 HydrophobicContact CG-CD1 4.34Å; P1081-L1084 PolarHBondContact O-N 3.29Å; P1081-L1084 VanDerWaalsContact O-N 3.14Å; P1081-R1085 PolarHBondContact O-N 3.17Å; P1081-R1085 VanDerWaalsContact O-N 3.13Å; P1081-T1199 VanDerWaalsContact CA-O 3.31Å; P1081-T1199 WeakPolarHBondContact CA-O 3.44Å
1082K92.4Very high94Very high40 Ų4026.7 Ų26.717%0.17414%0.14CC..Hα-helixtrans-55.4-43.3178.3-80.1-166.7-174.179.20111.6L1084 R1085 D1086 Y1195 S1198 T1199 N1200K1082-L1084 PolarHBondContact O-N 3.4Å; K1082-R1085 CarbonylContact O-C 3.12Å; K1082-R1085 WeakPolarHBondContact O-CA 3.3Å; K1082-R1085 WeakPolarHBondContact O-CB 3.47Å; K1082-R1085 PolarHBondContact O-N 3.06Å; K1082-D1086 PolarHBondContact O-N 3.04Å; K1082-Y1195 HydrophobicContact CB-CE2 4.42Å; K1082-Y1195 HydrophobicContact CD-CE2 4.49Å; K1082-Y1195 HydrophobicContact CG-CE2 4.17Å; K1082-S1198 WeakPolarHBondContact CG-OG 3.42Å; K1082-S1198 PolarHBondContact NZ-O 3.28Å; K1082-T1199 PolarHBondContact N-O 3.26Å; K1082-N1200 WeakPolarHBondContact CD-OD1 3.16Å; K1082-N1200 PolarHBondContact NZ-OD1 3.33Å
1083E92.4Very high93.9Very high26 Ų2627.9 Ų27.912%0.12115%0.151CC..Hα-helixtrans-64.6-28.4-175.7-5079.6-176.200111.2Y1001 P1081 V1087 N1200 S1201Y1001-E1083 VanDerWaalsContact OH-CB 3.32Å; Y1001-E1083 WeakPolarHBondContact OH-CB 3.35Å; P1081-E1083 WeakPolarHBondContact CB-OE2 3.33Å; P1081-E1083 PolarHBondContact O-N 3.31Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.41Å; E1083-V1087 PolarHBondContact O-N 3.09Å; E1083-N1200 WeakPolarHBondContact OE1-CA 3.2Å; E1083-S1201 VanDerWaalsContact CD-N 3.35Å; E1083-S1201 PolarHBondContact OE1-N 2.77Å; E1083-S1201 PolarHBondContact OE2-N 3.42Å
1084L94.2Very high93.6Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-77.8-38168.5-69.7-177000113.4Y1001 I1002 V1005 L1080 P1081 K1082 D1086 V1087 F1088Y1001-L1084 HydrophobicContact CD1-CD2 3.99Å; Y1001-L1084 HydrophobicContact CE1-CD2 3.91Å; I1002-L1084 HydrophobicContact CB-CD2 4.35Å; I1002-L1084 HydrophobicContact CG1-CD1 3.97Å; I1002-L1084 HydrophobicContact CG1-CD2 4.02Å; V1005-L1084 HydrophobicContact CG2-CD1 4.04Å; V1005-L1084 HydrophobicContact CG2-CD2 3.39Å; V1005-L1084 HydrophobicContact CG2-CG 3.45Å; V1005-L1084 VanDerWaalsContact CG2-CG 3.45Å; L1080-L1084 HydrophobicContact CD1-CD1 3.96Å; L1080-L1084 HydrophobicContact CG-CB 4.34Å; P1081-L1084 HydrophobicContact CB-CG 4.41Å; P1081-L1084 HydrophobicContact CG-CD1 4.34Å; P1081-L1084 PolarHBondContact O-N 3.29Å; P1081-L1084 VanDerWaalsContact O-N 3.14Å; K1082-L1084 PolarHBondContact O-N 3.4Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; L1084-V1087 PolarHBondContact O-N 3Å; L1084-F1088 HydrophobicContact CB-CE2 4.33Å; L1084-F1088 WeakPolarHBondContact O-CB 3.46Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; L1084-F1088 WeakPolarHBondContact O-CG 3.49Å; L1084-F1088 PolarHBondContact O-N 3.09Å
1085R94.8Very high93.4Very high0 Ų025.3 Ų25.30%014%0.14CC..Hα-helixtrans-65-37.3176.4-68.9179.2117.7-82.7-0.3111.1L1080 P1081 K1082 F1088 T1089 S1186 S1189 N1190 D1192 Y1195L1080-R1085 HydrophobicContact CD2-CG 3.85Å; L1080-R1085 HydrophobicContact CG-CG 4.29Å; P1081-R1085 PolarHBondContact O-N 3.17Å; P1081-R1085 VanDerWaalsContact O-N 3.13Å; K1082-R1085 CarbonylContact O-C 3.12Å; K1082-R1085 WeakPolarHBondContact O-CA 3.3Å; K1082-R1085 WeakPolarHBondContact O-CB 3.47Å; K1082-R1085 PolarHBondContact O-N 3.06Å; R1085-F1088 PolarHBondContact O-N 3.15Å; R1085-T1089 VanDerWaalsContact O-CB 3.3Å; R1085-T1089 WeakPolarHBondContact O-CB 3.3Å; R1085-T1089 PolarHBondContact O-N 3.23Å; R1085-T1089 PolarHBondContact O-OG1 3.44Å; R1085-S1186 PolarHBondContact NH2-O 3.1Å; R1085-S1189 PolarHBondContact NH1-O 3.49Å; R1085-N1190 PolarHBondContact O-OD1 3.45Å; R1085-D1192 IonicContact NH2-OD2 3.58Å; R1085-D1192 PolarHBondContact NH2-OD2 3.47Å; R1085-Y1195 HydrophobicContact CB-CD2 4.23Å; R1085-Y1195 HydrophobicContact CB-CE2 4.27Å
1086D94.1Very high93.3Very high53 Ų5325 Ų2528%0.28313%0.13SC..Hα-helixtrans-63.6-47.7172.9-68.4-32.7000111.5K1082 L1084 T1089 A1090 N1190 Y1195K1082-D1086 PolarHBondContact O-N 3.04Å; L1084-D1086 VanDerWaalsContact C-N 3.31Å; D1086-T1089 PolarHBondContact O-N 3.29Å; D1086-A1090 WeakPolarHBondContact O-CB 3.39Å; D1086-A1090 PolarHBondContact O-N 3.36Å; D1086-N1190 PolarHBondContact OD1-ND2 2.93Å; D1086-Y1195 PolarHBondContact OD1-OH 2.92Å; D1086-Y1195 VanDerWaalsContact OD1-OH 3.06Å; D1086-Y1195 PolarHBondContact OD2-OH 3.37Å
1087V95.8Very high93Very high1 Ų132.3 Ų32.31%0.00617%0.165CC..Hα-helixtrans-60.2-46.5174.1168.30000111.8V966 A967 L970 M998 Y1001 E1083 L1084 T1089 A1090 L1091V966-V1087 HydrophobicContact CG1-CG2 4.2Å; A967-V1087 HydrophobicContact CB-CG2 3.97Å; L970-V1087 HydrophobicContact CD1-CG1 3.97Å; L970-V1087 HydrophobicContact CD1-CG2 4.07Å; M998-V1087 HydrophobicContact CE-CG1 3.59Å; M998-V1087 HydrophobicContact SD-CG1 4.01Å; Y1001-V1087 HydrophobicContact CD1-CG2 4.08Å; Y1001-V1087 HydrophobicContact CE1-CB 4.41Å; Y1001-V1087 HydrophobicContact CE1-CG2 3.49Å; Y1001-V1087 VanDerWaalsContact CE1-CG2 3.49Å; E1083-V1087 WeakPolarHBondContact O-CG2 3.41Å; E1083-V1087 PolarHBondContact O-N 3.09Å; L1084-V1087 PolarHBondContact O-N 3Å; V1087-T1089 VanDerWaalsContact C-N 3.34Å; V1087-T1089 PolarHBondContact O-N 3.3Å; V1087-A1090 PolarHBondContact O-N 3.15Å; V1087-L1091 WeakPolarHBondContact O-CB 3.35Å; V1087-L1091 PolarHBondContact O-N 3.39Å
1088F96Very high92.8Very high0 Ų033.4 Ų33.40%018%0.175CC..Hα-helixtrans-67-34.5179.4-65.6-21.4000112.4M998 I1002 L1080 L1084 R1085 A1092 I1108 C1111 V1187 A1188M998-F1088 HydrophobicContact CE-CE1 4.35Å; I1002-F1088 HydrophobicContact CD1-CZ 4.14Å; L1080-F1088 HydrophobicContact CD2-CD2 4.14Å; L1080-F1088 HydrophobicContact CD2-CE2 3.98Å; L1084-F1088 HydrophobicContact CB-CE2 4.33Å; L1084-F1088 WeakPolarHBondContact O-CB 3.46Å; L1084-F1088 WeakPolarHBondContact O-CD2 3.49Å; L1084-F1088 WeakPolarHBondContact O-CG 3.49Å; L1084-F1088 PolarHBondContact O-N 3.09Å; R1085-F1088 PolarHBondContact O-N 3.15Å; F1088-A1092 VanDerWaalsContact O-CB 3.24Å; F1088-A1092 WeakPolarHBondContact O-CB 3.41Å; F1088-A1092 PolarHBondContact O-N 2.97Å; F1088-I1108 HydrophobicContact CB-CD1 4.36Å; F1088-I1108 HydrophobicContact CD1-CG2 4.39Å; F1088-I1108 HydrophobicContact CD2-CG2 4.34Å; F1088-I1108 HydrophobicContact CG-CG2 4.17Å; F1088-C1111 HydrophobicContact CE1-CB 4.33Å; F1088-V1187 HydrophobicContact CD2-CB 4.43Å; F1088-V1187 HydrophobicContact CD2-CG2 4.32Å; F1088-A1188 HydrophobicContact CB-CB 4.45Å
1089T95.2Very high92.7Very high22 Ų2236.3 Ų36.314%0.13519%0.185CC..Hα-helixtrans-67.8-48.7174.1-57.10000111.1R1085 D1086 V1087 L1091 A1092 L1093 A1188 N1190R1085-T1089 VanDerWaalsContact O-CB 3.3Å; R1085-T1089 WeakPolarHBondContact O-CB 3.3Å; R1085-T1089 PolarHBondContact O-N 3.23Å; R1085-T1089 PolarHBondContact O-OG1 3.44Å; D1086-T1089 PolarHBondContact O-N 3.29Å; V1087-T1089 VanDerWaalsContact C-N 3.34Å; V1087-T1089 PolarHBondContact O-N 3.3Å; T1089-L1091 VanDerWaalsContact C-N 3.3Å; T1089-L1091 PolarHBondContact O-N 3.39Å; T1089-A1092 PolarHBondContact O-N 2.98Å; T1089-L1093 HydrophobicContact CG2-CD1 4.28Å; T1089-L1093 WeakPolarHBondContact O-CG 3.25Å; T1089-L1093 PolarHBondContact O-N 3.32Å; T1089-A1188 WeakPolarHBondContact CA-O 3.3Å; T1089-A1188 PolarHBondContact OG1-O 3.24Å; T1089-A1188 VanDerWaalsContact OG1-O 3.14Å; T1089-N1190 HydrophobicContact CG2-CB 4.25Å; T1089-N1190 VanDerWaalsContact OG1-CG 3.24Å; T1089-N1190 PolarHBondContact OG1-N 3.01Å; T1089-N1190 PolarHBondContact OG1-OD1 2.91Å; T1089-N1190 VanDerWaalsContact OG1-OD1 3.11Å
1090A95.2Very high92.7Very high24 Ų2433.6 Ų33.620%0.19818%0.181CC..Hα-helixtrans-61.6-40177.800000112.1A967 D1086 V1087 T1094A967-A1090 HydrophobicContact CB-CB 4Å; D1086-A1090 WeakPolarHBondContact O-CB 3.39Å; D1086-A1090 PolarHBondContact O-N 3.36Å; V1087-A1090 PolarHBondContact O-N 3.15Å; A1090-T1094 VanDerWaalsContact O-CB 3.32Å; A1090-T1094 WeakPolarHBondContact O-CB 3.38Å; A1090-T1094 PolarHBondContact O-N 3.12Å; A1090-T1094 VanDerWaalsContact O-N 3.1Å; A1090-T1094 PolarHBondContact O-OG1 3.48Å
1091L94.2Very high92.6Very high1 Ų135.8 Ų35.81%0.00519%0.194CC..Hα-helixtrans-69.5-39.2176.5-175.760000112.3L974 M998 V1087 T1089 I1095 L1107L974-L1091 HydrophobicContact CB-CD1 3.97Å; L974-L1091 HydrophobicContact CD1-CD1 3.77Å; L974-L1091 HydrophobicContact CD1-CD2 3.93Å; M998-L1091 HydrophobicContact CE-CD2 3.51Å; V1087-L1091 WeakPolarHBondContact O-CB 3.35Å; V1087-L1091 PolarHBondContact O-N 3.39Å; T1089-L1091 VanDerWaalsContact C-N 3.3Å; T1089-L1091 PolarHBondContact O-N 3.39Å; L1091-I1095 HydrophobicContact CD1-CG1 3.99Å; L1091-I1095 WeakPolarHBondContact O-CB 3.32Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.44Å; L1091-I1095 PolarHBondContact O-N 3.24Å; L1091-I1095 VanDerWaalsContact O-N 3.15Å; L1091-L1107 HydrophobicContact CD1-CD2 3.78Å; L1091-L1107 HydrophobicContact CD2-CD2 3.45Å; L1091-L1107 VanDerWaalsContact CD2-CD2 3.45Å; L1091-L1107 HydrophobicContact CG-CD2 3.6Å
1092A94.6Very high92.4Very high4 Ų440.8 Ų40.83%0.03322%0.217CC..Hα-helixtrans-57.8-59172.900000110.1F1088 T1089 T1094 I1095 E1096 I1108 A1188F1088-A1092 VanDerWaalsContact O-CB 3.24Å; F1088-A1092 WeakPolarHBondContact O-CB 3.41Å; F1088-A1092 PolarHBondContact O-N 2.97Å; T1089-A1092 PolarHBondContact O-N 2.98Å; A1092-T1094 VanDerWaalsContact C-N 3.33Å; A1092-T1094 PolarHBondContact O-N 3.41Å; A1092-I1095 PolarHBondContact O-N 2.95Å; A1092-I1095 VanDerWaalsContact O-N 3.08Å; A1092-E1096 WeakPolarHBondContact O-CB 3.25Å; A1092-E1096 VanDerWaalsContact O-CG 3.24Å; A1092-E1096 WeakPolarHBondContact O-CG 3.5Å; A1092-E1096 PolarHBondContact O-N 2.95Å; A1092-I1108 HydrophobicContact CB-CD1 3.92Å; A1092-A1188 HydrophobicContact CB-CB 4.15Å
1093L94.3Very high92.2Very high98 Ų9839.7 Ų39.751%0.51321%0.214SC..Hα-helixtrans-53.5-48.5-179-65.2171.3000112.1T1089 I1095 E1096 E1097T1089-L1093 HydrophobicContact CG2-CD1 4.28Å; T1089-L1093 WeakPolarHBondContact O-CG 3.25Å; T1089-L1093 PolarHBondContact O-N 3.32Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.14Å; L1093-E1096 PolarHBondContact O-N 2.85Å; L1093-E1097 WeakPolarHBondContact O-CG 3.29Å; L1093-E1097 PolarHBondContact O-N 3.19Å; L1093-E1097 VanDerWaalsContact O-N 3.15Å
1094T92.3Very high92.2Very high18 Ų1838.5 Ų38.511%0.1121%0.209CC..Hα-helixtrans-60.4-33.8-179-58.50000113.5R975 A1090 A1092 T1098R975-T1094 HydrophobicContact CB-CG2 3.91Å; R975-T1094 HydrophobicContact CG-CG2 4.24Å; A1090-T1094 VanDerWaalsContact O-CB 3.32Å; A1090-T1094 WeakPolarHBondContact O-CB 3.38Å; A1090-T1094 PolarHBondContact O-N 3.12Å; A1090-T1094 VanDerWaalsContact O-N 3.1Å; A1090-T1094 PolarHBondContact O-OG1 3.48Å; A1092-T1094 VanDerWaalsContact C-N 3.33Å; A1092-T1094 PolarHBondContact O-N 3.41Å; T1094-T1098 PolarHBondContact O-OG1 3.47Å
1095I90.6Very high92.1Very high0 Ų038.8 Ų38.80%021%0.212CC..Hα-helixtrans-93.3-30.7-177.7-59.4-69.4000111.3L978 L1091 A1092 L1093 E1097 T1098 H1099 G1100 A1104 L1107L978-I1095 HydrophobicContact CD2-CD1 3.74Å; L1091-I1095 HydrophobicContact CD1-CG1 3.99Å; L1091-I1095 WeakPolarHBondContact O-CB 3.32Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.44Å; L1091-I1095 PolarHBondContact O-N 3.24Å; L1091-I1095 VanDerWaalsContact O-N 3.15Å; A1092-I1095 PolarHBondContact O-N 2.95Å; A1092-I1095 VanDerWaalsContact O-N 3.08Å; L1093-I1095 VanDerWaalsContact C-N 3.27Å; L1093-I1095 PolarHBondContact O-N 3.14Å; I1095-E1097 VanDerWaalsContact C-N 3.34Å; I1095-E1097 PolarHBondContact O-N 3.21Å; I1095-T1098 PolarHBondContact O-N 3.37Å; I1095-T1098 PolarHBondContact O-OG1 3.18Å; I1095-H1099 HydrophobicContact CG2-CB 4.26Å; I1095-H1099 PolarHBondContact O-N 3.17Å; I1095-G1100 PolarHBondContact O-N 3.34Å; I1095-A1104 HydrophobicContact CB-CB 4.23Å; I1095-A1104 HydrophobicContact CG2-CB 4.1Å; I1095-L1107 HydrophobicContact CD1-CD1 3.98Å; I1095-L1107 HydrophobicContact CG1-CD1 4.07Å; I1095-L1107 HydrophobicContact CG2-CD1 4.33Å
1096E92.2Very high91.9Very high69 Ų6941.8 Ų41.832%0.32223%0.225SC..Hα-helixtrans-62.8-40.6174.3-75.8-172-170.400111.6A1092 L1093 T1098 G1100 V1101 A1104A1092-E1096 WeakPolarHBondContact O-CB 3.25Å; A1092-E1096 VanDerWaalsContact O-CG 3.24Å; A1092-E1096 WeakPolarHBondContact O-CG 3.5Å; A1092-E1096 PolarHBondContact O-N 2.95Å; L1093-E1096 PolarHBondContact O-N 2.85Å; E1096-T1098 PolarHBondContact O-N 2.77Å; E1096-G1100 WeakPolarHBondContact O-CA 3.47Å; E1096-G1100 PolarHBondContact O-N 2.93Å; E1096-G1100 VanDerWaalsContact O-N 3.15Å; E1096-V1101 HydrophobicContact CG-CB 4.29Å; E1096-V1101 HydrophobicContact CG-CG1 4.34Å; E1096-V1101 HydrophobicContact CG-CG2 4.02Å; E1096-V1101 VanDerWaalsContact OE1-CG1 3.29Å; E1096-V1101 WeakPolarHBondContact OE1-CG1 3.2Å; E1096-A1104 HydrophobicContact CG-CB 3.55Å
1097E87.7Confident91.8Very high155 Ų15539.5 Ų39.572%0.72421%0.213SC*.Hα-helixtrans-61.5-27.1174.9-74173.8-176.800114L1093 I1095L1093-E1097 WeakPolarHBondContact O-CG 3.29Å; L1093-E1097 PolarHBondContact O-N 3.19Å; L1093-E1097 VanDerWaalsContact O-N 3.15Å; I1095-E1097 VanDerWaalsContact C-N 3.34Å; I1095-E1097 PolarHBondContact O-N 3.21Å
1098T86.8Confident91.7Very high71 Ų7139.5 Ų39.544%0.43621%0.213SC..Hα-helixtrans-113.9-32.5-167.745.90000114.2T1094 I1095 E1096T1094-T1098 PolarHBondContact O-OG1 3.47Å; I1095-T1098 PolarHBondContact O-N 3.37Å; I1095-T1098 PolarHBondContact O-OG1 3.18Å; E1096-T1098 PolarHBondContact O-N 2.77Å
1099H87.8Confident91.6Very high92 Ų9239.6 Ų39.643%0.42621%0.214SC..Hα-helixtrans-131.4-7.8-176.7-61.9-80.7000113.6L978 I1095 S1103L978-H1099 WeakPolarHBondContact CD2-CD2 3.32Å; L978-H1099 VanDerWaalsContact CD2-NE2 3.31Å; L978-H1099 WeakPolarHBondContact CD2-NE2 3.49Å; L978-H1099 WeakPolarHBondContact CG-NE2 3.32Å; I1095-H1099 HydrophobicContact CG2-CB 4.26Å; I1095-H1099 PolarHBondContact O-N 3.17Å; H1099-S1103 PolarHBondContact O-OG 3.09Å
1100G89.7Confident91.6Very high27 Ų2739.5 Ų39.528%0.27821%0.214SC..  trans83.8174177.800000114.8I1095 E1096 Q1102 S1103 A1104I1095-G1100 PolarHBondContact O-N 3.34Å; E1096-G1100 WeakPolarHBondContact O-CA 3.47Å; E1096-G1100 PolarHBondContact O-N 2.93Å; E1096-G1100 VanDerWaalsContact O-N 3.15Å; G1100-Q1102 PolarHBondContact O-N 3.37Å; G1100-S1103 PolarHBondContact O-N 2.91Å; G1100-A1104 PolarHBondContact O-N 3.08Å; G1100-A1104 VanDerWaalsContact O-N 3.15Å
1101V91Very high91.5Very high47 Ų4738.4 Ų38.429%0.28521%0.205SC..Hα-helixtrans-73.9-29.4-160.7-167.10000115.1E1096 A1105E1096-V1101 HydrophobicContact CG-CB 4.29Å; E1096-V1101 HydrophobicContact CG-CG1 4.34Å; E1096-V1101 HydrophobicContact CG-CG2 4.02Å; E1096-V1101 VanDerWaalsContact OE1-CG1 3.29Å; E1096-V1101 WeakPolarHBondContact OE1-CG1 3.2Å; V1101-A1105 PolarHBondContact O-N 2.93Å; V1101-A1105 VanDerWaalsContact O-N 3.09Å
1102Q89Confident91.5Very high108 Ų10838.3 Ų38.351%0.50521%0.205SC..Hα-helixtrans-65.6-45174.7-63.2-64.6-1500110.4G1100 A1104 A1105 H1106 Y1181G1100-Q1102 PolarHBondContact O-N 3.37Å; Q1102-A1104 PolarHBondContact O-N 2.96Å; Q1102-A1105 PolarHBondContact O-N 3.18Å; Q1102-H1106 PolarHBondContact O-CD2 2.94Å; Q1102-H1106 PolarHBondContact O-N 2.87Å; Q1102-Y1181 PolarHBondContact NE2-OH 3.49Å
1103S88.7Confident91.6Very high17 Ų1738.1 Ų38.112%0.11920%0.203CC..Hα-helixtrans-63.2-41.6177.9-61.40000112.5E984 H1099 G1100 A1105 H1106 L1107E984-S1103 VanDerWaalsContact CD-CB 3.42Å; E984-S1103 VanDerWaalsContact CD-OG 3.32Å; E984-S1103 WeakPolarHBondContact OE1-CA 3.37Å; E984-S1103 WeakPolarHBondContact OE2-CB 3.09Å; E984-S1103 PolarHBondContact OE2-OG 3.43Å; H1099-S1103 PolarHBondContact O-OG 3.09Å; G1100-S1103 PolarHBondContact O-N 2.91Å; S1103-A1105 PolarHBondContact O-N 2.89Å; S1103-H1106 PolarHBondContact O-N 3.49Å; S1103-L1107 WeakPolarHBondContact O-CB 3.45Å; S1103-L1107 PolarHBondContact O-N 3.31Å
1104A91.6Very high91.6Very high1 Ų135.7 Ų35.71%0.00819%0.19CC..Hα-helixtrans-59.3-46.4172.900000112.2I1095 E1096 G1100 Q1102 L1107 I1108I1095-A1104 HydrophobicContact CB-CB 4.23Å; I1095-A1104 HydrophobicContact CG2-CB 4.1Å; E1096-A1104 HydrophobicContact CG-CB 3.55Å; G1100-A1104 PolarHBondContact O-N 3.08Å; G1100-A1104 VanDerWaalsContact O-N 3.15Å; Q1102-A1104 PolarHBondContact O-N 2.96Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.5Å; A1104-I1108 PolarHBondContact O-N 3.48Å
1105A92.3Very high91.6Very high7 Ų736.6 Ų36.66%0.05819%0.192CC..Hα-helixtrans-63.6-42.4177.300000112.8V1101 Q1102 S1103 L1107 I1108 S1109 Y1181V1101-A1105 PolarHBondContact O-N 2.93Å; V1101-A1105 VanDerWaalsContact O-N 3.09Å; Q1102-A1105 PolarHBondContact O-N 3.18Å; S1103-A1105 PolarHBondContact O-N 2.89Å; A1105-L1107 VanDerWaalsContact C-N 3.34Å; A1105-L1107 PolarHBondContact O-N 2.94Å; A1105-I1108 PolarHBondContact O-N 3.43Å; A1105-S1109 WeakPolarHBondContact O-CB 3.35Å; A1105-S1109 PolarHBondContact O-N 2.79Å; A1105-Y1181 HydrophobicContact CB-CD2 4.17Å; A1105-Y1181 HydrophobicContact CB-CE2 3.64Å
1106H91.3Very high91.9Very high62 Ų6236.6 Ų36.629%0.28719%0.192SC..Hα-helixtrans-63.3-38175.3-73.4-53.9000112.8E984 Q1102 S1103 S1110E984-H1106 IonicContact OE1-CD2 2.92Å; Q1102-H1106 PolarHBondContact O-CD2 2.94Å; Q1102-H1106 PolarHBondContact O-N 2.87Å; S1103-H1106 PolarHBondContact O-N 3.49Å; H1106-S1110 WeakPolarHBondContact O-CB 3.48Å; H1106-S1110 PolarHBondContact O-N 3.43Å; H1106-S1110 PolarHBondContact O-OG 3.43Å
1107L91.3Very high92.1Very high5 Ų533.4 Ų33.43%0.02618%0.177CC..Hα-helixtrans-69.1-43.8179-170.6150.2000110.9I987 F988 L1091 I1095 S1103 A1104 A1105 S1110 C1111I987-L1107 HydrophobicContact CD1-CD1 3.68Å; I987-L1107 HydrophobicContact CG2-CD1 3.99Å; I987-L1107 HydrophobicContact CG2-CG 4.17Å; F988-L1107 HydrophobicContact CD2-CG 4.39Å; F988-L1107 WeakPolarHBondContact CD2-O 3.36Å; F988-L1107 HydrophobicContact CE2-CD2 3.61Å; F988-L1107 HydrophobicContact CE2-CG 3.78Å; F988-L1107 VanDerWaalsContact CE2-O 3.25Å; F988-L1107 WeakPolarHBondContact CE2-O 3.22Å; F988-L1107 HydrophobicContact CZ-CD2 4.2Å; L1091-L1107 HydrophobicContact CD1-CD2 3.78Å; L1091-L1107 HydrophobicContact CD2-CD2 3.45Å; L1091-L1107 VanDerWaalsContact CD2-CD2 3.45Å; L1091-L1107 HydrophobicContact CG-CD2 3.6Å; I1095-L1107 HydrophobicContact CD1-CD1 3.98Å; I1095-L1107 HydrophobicContact CG1-CD1 4.07Å; I1095-L1107 HydrophobicContact CG2-CD1 4.33Å; S1103-L1107 WeakPolarHBondContact O-CB 3.45Å; S1103-L1107 PolarHBondContact O-N 3.31Å; A1104-L1107 PolarHBondContact O-N 3.41Å; A1105-L1107 VanDerWaalsContact C-N 3.34Å; A1105-L1107 PolarHBondContact O-N 2.94Å; L1107-S1110 PolarHBondContact O-N 3.22Å; L1107-C1111 PolarHBondContact O-N 3.16Å
1108I94.4Very high92.5Very high2 Ų226.5 Ų26.51%0.0115%0.145CC..Hα-helixtrans-65.1-40.7174.7-67.1171.2000111.2F1088 A1092 A1104 A1105 S1110 C1111 L1112 L1184 V1187 A1188F1088-I1108 HydrophobicContact CB-CD1 4.36Å; F1088-I1108 HydrophobicContact CD1-CG2 4.39Å; F1088-I1108 HydrophobicContact CD2-CG2 4.34Å; F1088-I1108 HydrophobicContact CG-CG2 4.17Å; A1092-I1108 HydrophobicContact CB-CD1 3.92Å; A1104-I1108 WeakPolarHBondContact O-CG1 3.5Å; A1104-I1108 PolarHBondContact O-N 3.48Å; A1105-I1108 PolarHBondContact O-N 3.43Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.07Å; I1108-C1111 WeakPolarHBondContact O-CB 3.47Å; I1108-C1111 PolarHBondContact O-N 2.68Å; I1108-L1112 WeakPolarHBondContact O-CB 3.28Å; I1108-L1112 PolarHBondContact O-N 3.28Å; I1108-L1184 HydrophobicContact CG2-CD2 4.32Å; I1108-V1187 HydrophobicContact CG2-CG2 4.24Å; I1108-A1188 HydrophobicContact CD1-CB 3.51Å
1109S94.5Very high92.9Very high1 Ų125 Ų251%0.00714%0.136CC..Hα-helixtrans-59.6-42.7172.2-173.10000112.3A1105 C1111 L1112 F1113 A1154A1105-S1109 WeakPolarHBondContact O-CB 3.35Å; A1105-S1109 PolarHBondContact O-N 2.79Å; S1109-C1111 VanDerWaalsContact C-N 3.34Å; S1109-C1111 PolarHBondContact O-N 2.92Å; S1109-L1112 PolarHBondContact O-N 3.44Å; S1109-F1113 WeakPolarHBondContact O-CB 3.37Å; S1109-F1113 PolarHBondContact O-N 2.84Å; S1109-A1154 PolarHBondContact OG-O 3.28Å
1110S93.1Very high93.3Very high21 Ų2120.6 Ų20.615%0.14712%0.116CC..Iπ-helixtrans-67.9-33177.8-62.40000112.4H1106 L1107 I1108 L1114 R1115H1106-S1110 WeakPolarHBondContact O-CB 3.48Å; H1106-S1110 PolarHBondContact O-N 3.43Å; H1106-S1110 PolarHBondContact O-OG 3.43Å; L1107-S1110 PolarHBondContact O-N 3.22Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.07Å; S1110-L1114 VanDerWaalsContact O-CB 3.31Å; S1110-L1114 WeakPolarHBondContact O-CB 3.44Å; S1110-L1114 PolarHBondContact O-N 2.95Å; S1110-R1115 PolarHBondContact O-N 3.05Å
1111C93.9Very high93.6Very high0 Ų019.3 Ų19.30%010%0.103CC..Iπ-helixtrans-64.8-54.6169.3-178.10000111.5F988 M998 F1088 L1107 I1108 S1109 R1115F988-C1111 HydrophobicContact CD2-CB 4.21Å; F988-C1111 HydrophobicContact CE1-CB 4.42Å; F988-C1111 HydrophobicContact CE2-CB 3.7Å; F988-C1111 HydrophobicContact CZ-CB 3.82Å; M998-C1111 WeakPolarHBondContact CG-SG 3.27Å; M998-C1111 VanDerWaalsContact SD-SG 3.66Å; F1088-C1111 HydrophobicContact CE1-CB 4.33Å; L1107-C1111 PolarHBondContact O-N 3.16Å; I1108-C1111 WeakPolarHBondContact O-CB 3.47Å; I1108-C1111 PolarHBondContact O-N 2.68Å; S1109-C1111 VanDerWaalsContact C-N 3.34Å; S1109-C1111 PolarHBondContact O-N 2.92Å; C1111-R1115 WeakPolarHBondContact O-CB 3.49Å
1112L95.3Very high93.7Very high0 Ų021.9 Ų21.90%011%0.112CC..Iπ-helixtrans-75.1-44.7-169.3-175.559.7000113.2I1002 I1108 S1109 F1116 I1117 F1183I1002-L1112 HydrophobicContact CD1-CD1 4.29Å; I1108-L1112 WeakPolarHBondContact O-CB 3.28Å; I1108-L1112 PolarHBondContact O-N 3.28Å; S1109-L1112 PolarHBondContact O-N 3.44Å; L1112-F1116 HydrophobicContact CD1-CD1 4.34Å; L1112-F1116 WeakPolarHBondContact O-CB 3.43Å; L1112-I1117 HydrophobicContact CD1-CD1 3.89Å; L1112-I1117 HydrophobicContact CD1-CG1 4.26Å; L1112-I1117 HydrophobicContact CD2-CD1 4.41Å; L1112-I1117 HydrophobicContact CG-CD1 3.81Å; L1112-I1117 HydrophobicContact CG-CG1 4.46Å; L1112-I1117 WeakPolarHBondContact O-CG1 3.14Å; L1112-I1117 PolarHBondContact O-N 2.78Å; L1112-F1183 HydrophobicContact CD2-CE1 3.79Å; L1112-F1183 HydrophobicContact CD2-CZ 4.07Å
1113F96.2Very high93.8Very high0 Ų017.5 Ų17.50%010%0.095CC..Iπ-helixtrans-89.8-53.7-176.7-67-86.4000112.3W1070 I1073 S1109 R1115 I1117 C1118 P1119 L1150 A1154 M1180 F1183 L1184W1070-F1113 HydrophobicContact CZ3-CE1 4.49Å; W1070-F1113 HydrophobicContact CZ3-CZ 4.03Å; I1073-F1113 HydrophobicContact CD1-CE1 4.16Å; I1073-F1113 HydrophobicContact CG2-CE1 4.35Å; I1073-F1113 HydrophobicContact CG2-CZ 4.15Å; S1109-F1113 WeakPolarHBondContact O-CB 3.37Å; S1109-F1113 PolarHBondContact O-N 2.84Å; F1113-R1115 PolarHBondContact O-N 2.86Å; F1113-I1117 HydrophobicContact CD1-CB 4.35Å; F1113-I1117 HydrophobicContact CD1-CD1 4.32Å; F1113-I1117 HydrophobicContact CD1-CG2 4.39Å; F1113-I1117 HydrophobicContact CE1-CD1 4.11Å; F1113-C1118 VanDerWaalsContact O-CB 3.25Å; F1113-C1118 WeakPolarHBondContact O-CB 3.38Å; F1113-C1118 PolarHBondContact O-N 3.44Å; F1113-P1119 VanDerWaalsContact O-CD 3.25Å; F1113-P1119 WeakPolarHBondContact O-CD 3.38Å; F1113-L1150 HydrophobicContact CD1-CD2 4.33Å; F1113-L1150 HydrophobicContact CD1-CG 4.18Å; F1113-L1150 HydrophobicContact CE1-CD1 4.26Å; F1113-L1150 HydrophobicContact CE1-CD2 4.43Å; F1113-L1150 HydrophobicContact CE1-CG 4.31Å; F1113-A1154 HydrophobicContact CB-CB 3.51Å; F1113-A1154 HydrophobicContact CD1-CB 3.89Å; F1113-A1154 HydrophobicContact CD2-CB 3.62Å; F1113-A1154 HydrophobicContact CE2-CB 4.33Å; F1113-A1154 HydrophobicContact CG-CB 3.38Å; F1113-M1180 HydrophobicContact CE1-CE 4.03Å; F1113-M1180 HydrophobicContact CE2-CE 4.01Å; F1113-M1180 HydrophobicContact CE2-SD 3.69Å; F1113-M1180 HydrophobicContact CZ-CE 3.63Å; F1113-M1180 HydrophobicContact CZ-SD 3.82Å; F1113-F1183 HydrophobicContact CE2-CE1 4.09Å; F1113-F1183 HydrophobicContact CZ-CD1 4.49Å; F1113-F1183 AromaticContact CZ-CE1 3.96Å; F1113-F1183 HydrophobicContact CZ-CE1 3.96Å; F1113-L1184 HydrophobicContact CE2-CD2 4.28Å
1114L94.1Very high94Very high46 Ų4616.9 Ų16.924%0.2419%0.091CC..Iπ-helixtrans-71.9-29.4-172.3176.268.5000113.4R989 S1110 P1119R989-L1114 HydrophobicContact CG-CD2 3.77Å; S1110-L1114 VanDerWaalsContact O-CB 3.31Å; S1110-L1114 WeakPolarHBondContact O-CB 3.44Å; S1110-L1114 PolarHBondContact O-N 2.95Å; L1114-P1119 WeakPolarHBondContact O-CD 3.4Å; L1114-P1119 WeakPolarHBondContact O-CG 3.44Å
1115R92.4Very high93.8Very high38 Ų3819 Ų1914%0.14310%0.104CC..Iπ-helixtrans-103.1-20179.4-73.5-73.9170.8157.21.8115.6F988 A990 E999 S1110 C1111 F1113F988-R1115 HydrophobicContact CB-CG 4.02Å; F988-R1115 HydrophobicContact CD1-CG 4.43Å; F988-R1115 VanDerWaalsContact O-CZ 3.25Å; F988-R1115 PolarHBondContact O-NE 3.33Å; F988-R1115 PolarHBondContact O-NH2 3.46Å; A990-R1115 PolarHBondContact O-NH2 2.72Å; E999-R1115 IonicContact OE2-NH1 2.85Å; E999-R1115 PolarHBondContact OE2-NH1 3.45Å; S1110-R1115 PolarHBondContact O-N 3.05Å; C1111-R1115 WeakPolarHBondContact O-CB 3.49Å; F1113-R1115 PolarHBondContact O-N 2.86Å
1116F95.7Very high93.5Very high0 Ų025.6 Ų25.60%014%0.137CC..Iπ-helixtrans-122.8-70.2-173.8-168.8-124000113.5I1002 K1003 G1006 L1010 L1112 A1120 F1127I1002-F1116 HydrophobicContact CD1-CB 3.81Å; I1002-F1116 HydrophobicContact CD1-CD1 3.86Å; I1002-F1116 HydrophobicContact CD1-CG 3.87Å; I1002-F1116 HydrophobicContact CG1-CB 4.27Å; I1002-F1116 HydrophobicContact CG1-CD1 3.86Å; I1002-F1116 HydrophobicContact CG1-CD2 4.14Å; I1002-F1116 HydrophobicContact CG1-CE1 4.15Å; I1002-F1116 HydrophobicContact CG1-CE2 4.43Å; I1002-F1116 HydrophobicContact CG1-CG 3.85Å; I1002-F1116 HydrophobicContact CG1-CZ 4.43Å; I1002-F1116 HydrophobicContact CG2-CB 4.19Å; I1002-F1116 HydrophobicContact CG2-CD2 3.89Å; I1002-F1116 HydrophobicContact CG2-CG 4.14Å; I1002-F1116 WeakPolarHBondContact O-CE2 3.32Å; K1003-F1116 HydrophobicContact CG-CD2 4.41Å; K1003-F1116 HydrophobicContact CG-CE2 4.26Å; G1006-F1116 WeakPolarHBondContact O-CZ 3.25Å; L1010-F1116 HydrophobicContact CB-CE1 3.98Å; L1010-F1116 HydrophobicContact CB-CZ 3.71Å; L1010-F1116 HydrophobicContact CD1-CD1 4.2Å; L1010-F1116 HydrophobicContact CD1-CE1 3.88Å; L1010-F1116 HydrophobicContact CD1-CZ 4.1Å; L1010-F1116 HydrophobicContact CD2-CE1 4.45Å; L1010-F1116 HydrophobicContact CD2-CE2 3.89Å; L1010-F1116 HydrophobicContact CD2-CZ 3.82Å; L1010-F1116 HydrophobicContact CG-CE1 4.33Å; L1010-F1116 HydrophobicContact CG-CZ 4.11Å; L1112-F1116 HydrophobicContact CD1-CD1 4.34Å; L1112-F1116 WeakPolarHBondContact O-CB 3.43Å; F1116-A1120 VanDerWaalsContact O-CB 3.29Å; F1116-A1120 WeakPolarHBondContact O-CB 3.46Å; F1116-A1120 PolarHBondContact O-N 3.46Å; F1116-A1120 VanDerWaalsContact O-N 3.1Å; F1116-F1127 HydrophobicContact CD2-CD1 4.48Å; F1116-F1127 HydrophobicContact CD2-CE1 4.05Å; F1116-F1127 HydrophobicContact CE2-CD1 4.43Å; F1116-F1127 HydrophobicContact CE2-CE1 4.4Å
1117I97.2Very high93.6Very high2 Ų223.6 Ų23.61%0.0113%0.128CC..Iπ-helixtrans-66.4-53.4-172.2-64.8176.7000112.7L1010 L1014 I1073 L1112 F1113 A1120 I1121 L1150L1010-I1117 HydrophobicContact CD1-CG1 4.42Å; L1014-I1117 HydrophobicContact CD1-CG2 4.42Å; I1073-I1117 HydrophobicContact CD1-CD1 4.24Å; I1073-I1117 HydrophobicContact CD1-CG2 3.9Å; I1073-I1117 HydrophobicContact CG1-CD1 4.4Å; I1073-I1117 HydrophobicContact CG2-CD1 4.32Å; L1112-I1117 HydrophobicContact CD1-CD1 3.89Å; L1112-I1117 HydrophobicContact CD1-CG1 4.26Å; L1112-I1117 HydrophobicContact CD2-CD1 4.41Å; L1112-I1117 HydrophobicContact CG-CD1 3.81Å; L1112-I1117 HydrophobicContact CG-CG1 4.46Å; L1112-I1117 WeakPolarHBondContact O-CG1 3.14Å; L1112-I1117 PolarHBondContact O-N 2.78Å; F1113-I1117 HydrophobicContact CD1-CB 4.35Å; F1113-I1117 HydrophobicContact CD1-CD1 4.32Å; F1113-I1117 HydrophobicContact CD1-CG2 4.39Å; F1113-I1117 HydrophobicContact CE1-CD1 4.11Å; I1117-A1120 WeakPolarHBondContact O-CB 3.23Å; I1117-A1120 PolarHBondContact O-N 2.82Å; I1117-I1121 HydrophobicContact CG2-CD1 3.95Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.48Å; I1117-I1121 PolarHBondContact O-N 2.72Å; I1117-L1150 HydrophobicContact CG2-CD2 3.98Å
1118C97.1Very high93.4Very high9 Ų923.9 Ų23.96%0.06113%0.132CC..Hα-helixtrans-67.7-40.1-176.7-66.50000112.9F1113 A1120 I1121 H1122 A1147 Q1151F1113-C1118 VanDerWaalsContact O-CB 3.25Å; F1113-C1118 WeakPolarHBondContact O-CB 3.38Å; F1113-C1118 PolarHBondContact O-N 3.44Å; C1118-A1120 VanDerWaalsContact C-N 3.3Å; C1118-A1120 PolarHBondContact O-N 2.91Å; C1118-I1121 PolarHBondContact O-N 3.5Å; C1118-H1122 WeakPolarHBondContact O-CB 3.47Å; C1118-H1122 PolarHBondContact O-N 3.21Å; C1118-A1147 HydrophobicContact CB-CB 4.34Å; C1118-Q1151 PolarHBondContact SG-OE1 3.05Å
1119P95.3Very high93.2Very high39 Ų3924.4 Ų24.425%0.25314%0.135SC..Hα-helixtrans-57.1-38.9168.3-30.539.1000113.8F1113 L1114 H1122 G1123 F1127F1113-P1119 VanDerWaalsContact O-CD 3.25Å; F1113-P1119 WeakPolarHBondContact O-CD 3.38Å; L1114-P1119 WeakPolarHBondContact O-CD 3.4Å; L1114-P1119 WeakPolarHBondContact O-CG 3.44Å; P1119-H1122 PolarHBondContact O-N 3.36Å; P1119-G1123 PolarHBondContact O-N 2.86Å; P1119-F1127 HydrophobicContact CB-CE2 3.87Å; P1119-F1127 HydrophobicContact CB-CZ 3.72Å
1120A95.7Very high92.8Very high0 Ų024.9 Ų24.90%014%0.139CC..Hα-helixtrans-68.1-38.7176.900000113.3L1010 L1014 F1116 I1117 C1118 G1123 P1124 F1127 L1129L1010-A1120 HydrophobicContact CD1-CB 3.9Å; L1010-A1120 HydrophobicContact CD2-CB 3.73Å; L1010-A1120 HydrophobicContact CG-CB 4.22Å; L1014-A1120 HydrophobicContact CD1-CB 4.12Å; F1116-A1120 VanDerWaalsContact O-CB 3.29Å; F1116-A1120 WeakPolarHBondContact O-CB 3.46Å; F1116-A1120 PolarHBondContact O-N 3.46Å; F1116-A1120 VanDerWaalsContact O-N 3.1Å; I1117-A1120 WeakPolarHBondContact O-CB 3.23Å; I1117-A1120 PolarHBondContact O-N 2.82Å; C1118-A1120 VanDerWaalsContact C-N 3.3Å; C1118-A1120 PolarHBondContact O-N 2.91Å; A1120-G1123 CarbonylContact O-C 3.59Å; A1120-P1124 WeakPolarHBondContact O-CA 3.42Å; A1120-F1127 VanDerWaalsContact CA-CD2 3.45Å; A1120-F1127 HydrophobicContact CB-CB 3.96Å; A1120-F1127 HydrophobicContact CB-CD1 3.83Å; A1120-F1127 HydrophobicContact CB-CD2 3.84Å; A1120-F1127 HydrophobicContact CB-CE1 4.25Å; A1120-F1127 HydrophobicContact CB-CE2 4.27Å; A1120-F1127 HydrophobicContact CB-CG 3.6Å; A1120-F1127 HydrophobicContact CB-CZ 4.45Å; A1120-L1129 HydrophobicContact CB-CD1 3.95Å
1121I96.2Very high92.2Very high0 Ų029.5 Ų29.50%017%0.171CC..Hα-helixtrans-65.1-44.8173-63.8167.7000110.3L1014 I1069 I1117 C1118 L1143 I1146 A1147 L1150L1014-I1121 HydrophobicContact CD1-CD1 4.49Å; L1014-I1121 HydrophobicContact CD1-CG1 3.77Å; L1014-I1121 HydrophobicContact CD2-CD1 4.15Å; L1014-I1121 HydrophobicContact CD2-CG1 4.05Å; I1069-I1121 HydrophobicContact CG2-CD1 4.09Å; I1117-I1121 HydrophobicContact CG2-CD1 3.95Å; I1117-I1121 WeakPolarHBondContact O-CG1 3.48Å; I1117-I1121 PolarHBondContact O-N 2.72Å; C1118-I1121 PolarHBondContact O-N 3.5Å; I1121-L1143 HydrophobicContact CG2-CD2 4.21Å; I1121-L1143 WeakPolarHBondContact O-CB 3.36Å; I1121-I1146 HydrophobicContact CD1-CG2 4.49Å; I1121-I1146 HydrophobicContact CG2-CB 4.28Å; I1121-I1146 HydrophobicContact CG2-CG2 3.88Å; I1121-A1147 HydrophobicContact CB-CB 4.16Å; I1121-A1147 HydrophobicContact CG2-CB 3.98Å; I1121-L1150 HydrophobicContact CD1-CD2 3.64Å
1122H92.8Very high91.5Very high101 Ų10132.9 Ų32.947%0.46820%0.195SC..Hα-helixtrans-68.1-39.1-178.4179.459.8000113.2C1118 P1119 T1144 A1147C1118-H1122 WeakPolarHBondContact O-CB 3.47Å; C1118-H1122 PolarHBondContact O-N 3.21Å; P1119-H1122 PolarHBondContact O-N 3.36Å; H1122-T1144 PolarHBondContact CE1-OG1 2.75Å; H1122-T1144 VanDerWaalsContact CE1-OG1 3.27Å; H1122-T1144 PolarHBondContact ND1-OG1 2.95Å; H1122-A1147 HydrophobicContact CB-CB 4.38Å
1123G91.2Very high90.7Very high16 Ų1638.9 Ų38.917%0.16523%0.226CC..  trans-128.466.1-176.800000113.3P1119 A1120 V1125 L1126P1119-G1123 PolarHBondContact O-N 2.86Å; A1120-G1123 CarbonylContact O-C 3.59Å; G1123-V1125 PolarHBondContact O-N 3.07Å; G1123-L1126 WeakPolarHBondContact O-CB 3.46Å; G1123-L1126 PolarHBondContact O-N 3.48Å
1124P92.2Very high89.8Confident4 Ų440 Ų403%0.02623%0.233CC..G310 helixtrans-61.4-25.3-168.223.6-35.2000114.7I1018 A1120 L1126 F1127 G1128 L1129 A1130 L1143I1018-P1124 HydrophobicContact CG2-CB 3.87Å; I1018-P1124 HydrophobicContact CG2-CG 4.33Å; A1120-P1124 WeakPolarHBondContact O-CA 3.42Å; P1124-L1126 VanDerWaalsContact C-N 3.35Å; P1124-F1127 PolarHBondContact O-N 2.95Å; P1124-G1128 PolarHBondContact O-N 3.19Å; P1124-L1129 HydrophobicContact CB-CB 3.83Å; P1124-L1129 WeakPolarHBondContact O-CA 3.18Å; P1124-L1129 WeakPolarHBondContact O-CB 3.43Å; P1124-L1129 PolarHBondContact O-N 3.41Å; P1124-A1130 HydrophobicContact CB-CB 3.93Å; P1124-A1130 HydrophobicContact CG-CB 4.07Å; P1124-A1130 PolarHBondContact O-N 3.33Å; P1124-L1143 HydrophobicContact CG-CD1 3.98Å
1125V88.3Confident88.9Confident47 Ų4746 Ų4629%0.28526%0.26SS..G310 helixtrans-65.3-38175.7-172.10000111.9G1123 F1127 G1128 A1130 S1132 I1133G1123-V1125 PolarHBondContact O-N 3.07Å; V1125-F1127 PolarHBondContact O-N 3.33Å; V1125-G1128 PolarHBondContact O-N 2.87Å; V1125-A1130 HydrophobicContact CG2-CB 4.12Å; V1125-S1132 WeakPolarHBondContact CG2-O 3.49Å; V1125-I1133 HydrophobicContact CG2-CG1 4.1Å
1126L86.2Confident88.4Confident144 Ų14447.6 Ų47.675%0.75427%0.271SS*.G310 helixtrans-70.9-10.9-177.3-58.7176000113G1123 P1124G1123-L1126 WeakPolarHBondContact O-CB 3.46Å; G1123-L1126 PolarHBondContact O-N 3.48Å; P1124-L1126 VanDerWaalsContact C-N 3.35Å
1127F91.5Very high87.9Confident20 Ų2054.1 Ų54.19%0.08831%0.306CS..G310 helixtrans-120.714.6-180-68.4-98.9000111.8K1003 L1010 F1116 P1119 A1120 P1124 V1125 L1129K1003-F1127 HydrophobicContact CG-CE1 4.5Å; L1010-F1127 HydrophobicContact CD2-CB 3.87Å; L1010-F1127 HydrophobicContact CD2-CD1 3.66Å; L1010-F1127 HydrophobicContact CD2-CG 4.13Å; F1116-F1127 HydrophobicContact CD2-CD1 4.48Å; F1116-F1127 HydrophobicContact CD2-CE1 4.05Å; F1116-F1127 HydrophobicContact CE2-CD1 4.43Å; F1116-F1127 HydrophobicContact CE2-CE1 4.4Å; P1119-F1127 HydrophobicContact CB-CE2 3.87Å; P1119-F1127 HydrophobicContact CB-CZ 3.72Å; A1120-F1127 VanDerWaalsContact CA-CD2 3.45Å; A1120-F1127 HydrophobicContact CB-CB 3.96Å; A1120-F1127 HydrophobicContact CB-CD1 3.83Å; A1120-F1127 HydrophobicContact CB-CD2 3.84Å; A1120-F1127 HydrophobicContact CB-CE1 4.25Å; A1120-F1127 HydrophobicContact CB-CE2 4.27Å; A1120-F1127 HydrophobicContact CB-CG 3.6Å; A1120-F1127 HydrophobicContact CB-CZ 4.45Å; P1124-F1127 PolarHBondContact O-N 2.95Å; V1125-F1127 PolarHBondContact O-N 3.33Å; F1127-L1129 HydrophobicContact CB-CD1 4.47Å; F1127-L1129 HydrophobicContact CB-CG 4.32Å; F1127-L1129 PolarHBondContact O-N 3.43Å; F1127-L1129 VanDerWaalsContact O-N 3.17Å
1128G87.5Confident87.6Confident11 Ų1159.4 Ų59.411%0.11333%0.326CS..THydrogen-bonded Turntrans62.323.917800000114.7R1011 P1124 V1125R1011-G1128 PolarHBondContact NE-O 3.1Å; R1011-G1128 VanDerWaalsContact NE-O 3.12Å; R1011-G1128 PolarHBondContact NH2-O 2.92Å; P1124-G1128 PolarHBondContact O-N 3.19Å; V1125-G1128 PolarHBondContact O-N 2.87Å
1129L91Very high87.3Confident13 Ų1359.7 Ų59.77%0.06833%0.326CS..SBendtrans-90.6-16.4175.1-60.4176.6000112.7L1010 R1011 L1014 I1018 A1120 P1124 F1127L1010-L1129 HydrophobicContact CD2-CD1 4.46Å; L1010-L1129 HydrophobicContact CG-CD1 4.38Å; R1011-L1129 HydrophobicContact CB-CD2 4.4Å; R1011-L1129 HydrophobicContact CG-CD2 3.81Å; L1014-L1129 HydrophobicContact CB-CD1 4.01Å; L1014-L1129 HydrophobicContact CD1-CD1 3.97Å; I1018-L1129 HydrophobicContact CG1-CD1 4.41Å; I1018-L1129 HydrophobicContact CG2-CB 4.46Å; A1120-L1129 HydrophobicContact CB-CD1 3.95Å; P1124-L1129 HydrophobicContact CB-CB 3.83Å; P1124-L1129 WeakPolarHBondContact O-CA 3.18Å; P1124-L1129 WeakPolarHBondContact O-CB 3.43Å; P1124-L1129 PolarHBondContact O-N 3.41Å; F1127-L1129 HydrophobicContact CB-CD1 4.47Å; F1127-L1129 HydrophobicContact CB-CG 4.32Å; F1127-L1129 PolarHBondContact O-N 3.43Å; F1127-L1129 VanDerWaalsContact O-N 3.17Å
1130A86.6Confident87.1Confident11 Ų1160.1 Ų60.19%0.09133%0.33CS..  trans-140144.817600000110.6L1022 P1124 V1125L1022-A1130 HydrophobicContact CD1-CB 3.98Å; P1124-A1130 HydrophobicContact CB-CB 3.93Å; P1124-A1130 HydrophobicContact CG-CB 4.07Å; P1124-A1130 PolarHBondContact O-N 3.33Å; V1125-A1130 HydrophobicContact CG2-CB 4.12Å
1131S80.3Confident87Confident119 Ų11962.4 Ų62.483%0.83234%0.339SS*.SBendtrans-78.3-19.7-177.654.60000114.4
1132S78.1Confident86.9Confident71 Ų7162.6 Ų62.650%0.49734%0.34SS..SBendtrans-154.6159.3179.262.30000111.3V1125V1125-S1132 WeakPolarHBondContact CG2-O 3.49Å
1133I79.3Confident87Confident126 Ų12658 Ų5865%0.64632%0.319SS*.  trans-63.5129.2177.1-60.2171000107.7V1125 E1135V1125-I1133 HydrophobicContact CG2-CG1 4.1Å; I1133-E1135 PolarHBondContact O-N 3.17Å
1134P77.4Confident87.2Confident22 Ų2259 Ų5914%0.14332%0.322CS..  trans-54.8113.7179.4-26.534.4000111.5L1022 N1136 I1139L1022-P1134 HydrophobicContact CD2-CB 4.28Å; L1022-P1134 HydrophobicContact CD2-CG 3.73Å; P1134-N1136 PolarHBondContact O-N 3.24Å; P1134-I1139 HydrophobicContact CB-CB 4.25Å; P1134-I1139 HydrophobicContact CB-CG2 4.28Å
1135E75.2Confident87.4Confident173 Ų17358.9 Ų58.981%0.80832%0.321SS*.SBendtrans-62.8-24.9-179.8-60.2-169156.400111.9I1133I1133-E1135 PolarHBondContact O-N 3.17Å
1136N82Confident87.8Confident71 Ų7156.6 Ų56.638%0.3831%0.307SS..  trans-87.4108.2175.6-173.3-4.6000111.3P1134 R1138 I1139 S1140P1134-N1136 PolarHBondContact O-N 3.24Å; N1136-R1138 PolarHBondContact O-N 3.39Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.44Å; N1136-R1138 PolarHBondContact OD1-N 3.18Å; N1136-I1139 HydrophobicContact CB-CD1 3.99Å; N1136-I1139 HydrophobicContact CB-CG1 4.05Å; N1136-I1139 PolarHBondContact O-N 2.94Å; N1136-S1140 PolarHBondContact O-N 2.93Å
1137N85.8Confident88.4Confident138 Ų13850.2 Ų50.274%0.73828%0.275SS*.Hα-helixtrans-51.1-29.3174.1-70.4-28.8000113.8R1141N1137-R1141 WeakPolarHBondContact O-CB 3.34Å; N1137-R1141 PolarHBondContact O-N 3.05Å
1138R89.5Confident88.6Confident112 Ų11251.6 Ų51.642%0.42328%0.281SS..Hα-helixtrans-62.1-43.3175.2-172.3-170.3-66.6167.5-3.6111.8G1025 D1026 D1027 N1136 R1141 N1142G1025-R1138 PolarHBondContact O-NH1 3.18Å; D1026-R1138 WeakPolarHBondContact O-CD 3.36Å; D1027-R1138 HydrophobicContact CB-CG 4.47Å; N1136-R1138 PolarHBondContact O-N 3.39Å; N1136-R1138 WeakPolarHBondContact OD1-CB 3.44Å; N1136-R1138 PolarHBondContact OD1-N 3.18Å; R1138-R1141 WeakPolarHBondContact O-CB 3.4Å; R1138-R1141 PolarHBondContact O-N 3.24Å; R1138-R1141 VanDerWaalsContact O-N 3.17Å; R1138-N1142 VanDerWaalsContact O-CG 3.28Å; R1138-N1142 PolarHBondContact O-N 3.34Å; R1138-N1142 PolarHBondContact O-OD1 2.88Å
1139I91.4Very high89Confident15 Ų1551.1 Ų51.18%0.07728%0.276CS..Hα-helixtrans-68-43-178.2-58.3177000110.1L1022 P1134 N1136 R1141 N1142 L1143L1022-I1139 HydrophobicContact CD2-CG2 4.03Å; P1134-I1139 HydrophobicContact CB-CB 4.25Å; P1134-I1139 HydrophobicContact CB-CG2 4.28Å; N1136-I1139 HydrophobicContact CB-CD1 3.99Å; N1136-I1139 HydrophobicContact CB-CG1 4.05Å; N1136-I1139 PolarHBondContact O-N 2.94Å; I1139-R1141 VanDerWaalsContact C-N 3.27Å; I1139-R1141 PolarHBondContact O-N 2.67Å; I1139-N1142 WeakPolarHBondContact O-CB 3.42Å; I1139-N1142 PolarHBondContact O-N 2.87Å; I1139-L1143 HydrophobicContact CG2-CD1 4.36Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 3.31Å
1140S91.1Very high89.3Confident48 Ų4850.5 Ų50.534%0.33627%0.273SS..Hα-helixtrans-59.2-37.8172178.40000112.3N1136 T1144N1136-S1140 PolarHBondContact O-N 2.93Å; S1140-T1144 WeakPolarHBondContact O-CB 3.31Å; S1140-T1144 PolarHBondContact O-N 3.45Å; S1140-T1144 VanDerWaalsContact O-N 3.07Å; S1140-T1144 PolarHBondContact O-OG1 3.14Å
1141R93.2Very high89.8Confident48 Ų4851 Ų5118%0.18127%0.273CS..Hα-helixtrans-67-44.8174.2178.255.2174.2154.54112.5E1029 N1137 R1138 I1139 L1143 T1144 L1145E1029-R1141 IonicContact OE1-CZ 2.73Å; E1029-R1141 IonicContact OE1-NE 3.07Å; E1029-R1141 IonicContact OE1-NH2 2.74Å; E1029-R1141 PolarHBondContact OE1-NH2 2.74Å; E1029-R1141 IonicContact OE2-CZ 2.74Å; E1029-R1141 IonicContact OE2-NE 2.73Å; E1029-R1141 PolarHBondContact OE2-NE 3.03Å; E1029-R1141 IonicContact OE2-NH2 3.07Å; E1029-R1141 PolarHBondContact OE2-NH2 3.06Å; E1029-R1141 VanDerWaalsContact OE2-NH2 3.14Å; N1137-R1141 WeakPolarHBondContact O-CB 3.34Å; N1137-R1141 PolarHBondContact O-N 3.05Å; R1138-R1141 WeakPolarHBondContact O-CB 3.4Å; R1138-R1141 PolarHBondContact O-N 3.24Å; R1138-R1141 VanDerWaalsContact O-N 3.17Å; I1139-R1141 VanDerWaalsContact C-N 3.27Å; I1139-R1141 PolarHBondContact O-N 2.67Å; R1141-L1143 PolarHBondContact O-N 3.27Å; R1141-T1144 WeakPolarHBondContact O-CB 2.99Å; R1141-T1144 PolarHBondContact O-N 3.37Å; R1141-L1145 HydrophobicContact CG-CD1 4.46Å; R1141-L1145 WeakPolarHBondContact O-CG 3.48Å; R1141-L1145 PolarHBondContact O-N 2.71Å
1142N94.9Very high90.5Very high5 Ų546.7 Ų46.73%0.02724%0.241CC..Hα-helixtrans-57.3-48.7176.1-730.7000111.7D1026 F1028 R1138 I1139 T1144 L1145 I1146D1026-N1142 PolarHBondContact O-ND2 2.68Å; F1028-N1142 HydrophobicContact CB-CB 4.38Å; F1028-N1142 WeakPolarHBondContact CB-OD1 3.43Å; F1028-N1142 HydrophobicContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CB 3.43Å; F1028-N1142 VanDerWaalsContact CD2-CG 3.49Å; F1028-N1142 HydrophobicContact CE2-CB 3.85Å; F1028-N1142 HydrophobicContact CG-CB 4.11Å; F1028-N1142 PolarHBondContact N-OD1 3.31Å; R1138-N1142 VanDerWaalsContact O-CG 3.28Å; R1138-N1142 PolarHBondContact O-N 3.34Å; R1138-N1142 PolarHBondContact O-OD1 2.88Å; I1139-N1142 WeakPolarHBondContact O-CB 3.42Å; I1139-N1142 PolarHBondContact O-N 2.87Å; N1142-T1144 VanDerWaalsContact C-N 3.3Å; N1142-T1144 PolarHBondContact O-N 3.21Å; N1142-L1145 WeakPolarHBondContact O-CB 3.22Å; N1142-L1145 PolarHBondContact O-N 3.36Å; N1142-L1145 VanDerWaalsContact O-N 3.09Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 3.44Å
1143L95.3Very high91.4Very high3 Ų343.3 Ų43.32%0.01622%0.217CC..Hα-helixtrans-59-41.2175.8-71.3173.4000112I1018 L1021 I1121 P1124 I1139 R1141 L1145 I1146 A1147I1018-L1143 HydrophobicContact CD1-CD2 3.55Å; L1021-L1143 HydrophobicContact CD1-CD2 4Å; I1121-L1143 HydrophobicContact CG2-CD2 4.21Å; I1121-L1143 WeakPolarHBondContact O-CB 3.36Å; P1124-L1143 HydrophobicContact CG-CD1 3.98Å; I1139-L1143 HydrophobicContact CG2-CD1 4.36Å; I1139-L1143 WeakPolarHBondContact O-CG 3.34Å; I1139-L1143 PolarHBondContact O-N 3.31Å; R1141-L1143 PolarHBondContact O-N 3.27Å; L1143-L1145 VanDerWaalsContact C-N 3.33Å; L1143-L1145 PolarHBondContact O-N 3.17Å; L1143-I1146 PolarHBondContact O-N 3.07Å; L1143-A1147 WeakPolarHBondContact O-CB 3.47Å; L1143-A1147 PolarHBondContact O-N 3.28Å
1144T95.4Very high92.1Very high39 Ų3937.3 Ų37.324%0.23919%0.186CC..Hα-helixtrans-63.4-37.2174.7-55.10000112.3H1122 S1140 R1141 N1142 K1148H1122-T1144 PolarHBondContact CE1-OG1 2.75Å; H1122-T1144 VanDerWaalsContact CE1-OG1 3.27Å; H1122-T1144 PolarHBondContact ND1-OG1 2.95Å; S1140-T1144 WeakPolarHBondContact O-CB 3.31Å; S1140-T1144 PolarHBondContact O-N 3.45Å; S1140-T1144 VanDerWaalsContact O-N 3.07Å; S1140-T1144 PolarHBondContact O-OG1 3.14Å; R1141-T1144 WeakPolarHBondContact O-CB 2.99Å; R1141-T1144 PolarHBondContact O-N 3.37Å; N1142-T1144 VanDerWaalsContact C-N 3.3Å; N1142-T1144 PolarHBondContact O-N 3.21Å; T1144-K1148 VanDerWaalsContact O-CB 3.29Å; T1144-K1148 WeakPolarHBondContact O-CB 3.31Å; T1144-K1148 PolarHBondContact O-N 2.98Å
1145L96.3Very high92.8Very high0 Ų038.1 Ų38.10%019%0.189CC..Hα-helixtrans-69.8-45.6176.6-73177.2000111.7F1028 L1062 R1141 N1142 L1143 K1148 V1149 M1166F1028-L1145 HydrophobicContact CB-CD1 4.34Å; F1028-L1145 WeakPolarHBondContact O-CD1 3.45Å; L1062-L1145 HydrophobicContact CD1-CB 3.93Å; L1062-L1145 HydrophobicContact CD2-CB 4.37Å; R1141-L1145 HydrophobicContact CG-CD1 4.46Å; R1141-L1145 WeakPolarHBondContact O-CG 3.48Å; R1141-L1145 PolarHBondContact O-N 2.71Å; N1142-L1145 WeakPolarHBondContact O-CB 3.22Å; N1142-L1145 PolarHBondContact O-N 3.36Å; N1142-L1145 VanDerWaalsContact O-N 3.09Å; L1143-L1145 VanDerWaalsContact C-N 3.33Å; L1143-L1145 PolarHBondContact O-N 3.17Å; L1145-K1148 PolarHBondContact O-N 2.95Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.37Å; L1145-V1149 PolarHBondContact O-N 2.99Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; L1145-M1166 HydrophobicContact CD2-CE 3.52Å; L1145-M1166 HydrophobicContact CD2-SD 4.44Å
1146I97Very high93.6Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-55.9-54.3174.8-70.9170.9000110.8L1021 F1028 L1062 N1065 V1066 I1069 I1121 N1142 L1143 K1148 V1149 L1150L1021-I1146 HydrophobicContact CD1-CD1 3.58Å; L1021-I1146 HydrophobicContact CD2-CD1 4.31Å; F1028-I1146 HydrophobicContact CD2-CD1 4.2Å; F1028-I1146 HydrophobicContact CD2-CG1 4.36Å; F1028-I1146 HydrophobicContact CE2-CD1 3.84Å; F1028-I1146 HydrophobicContact CE2-CG1 4.45Å; L1062-I1146 HydrophobicContact CD1-CG1 3.82Å; N1065-I1146 HydrophobicContact CB-CD1 4.01Å; V1066-I1146 HydrophobicContact CG2-CB 4.3Å; V1066-I1146 HydrophobicContact CG2-CG1 4.15Å; V1066-I1146 HydrophobicContact CG2-CG2 4.21Å; I1069-I1146 HydrophobicContact CD1-CD1 4.34Å; I1069-I1146 HydrophobicContact CD1-CG2 3.45Å; I1069-I1146 VanDerWaalsContact CD1-CG2 3.45Å; I1121-I1146 HydrophobicContact CD1-CG2 4.49Å; I1121-I1146 HydrophobicContact CG2-CB 4.28Å; I1121-I1146 HydrophobicContact CG2-CG2 3.88Å; N1142-I1146 WeakPolarHBondContact O-CG1 3.28Å; N1142-I1146 PolarHBondContact O-N 3.44Å; L1143-I1146 PolarHBondContact O-N 3.07Å; I1146-K1148 PolarHBondContact O-N 3.25Å; I1146-V1149 PolarHBondContact O-N 3.15Å; I1146-L1150 PolarHBondContact O-N 3.29Å; I1146-L1150 VanDerWaalsContact O-N 3.07Å
1147A97.1Very high94.1Very high9 Ų931.2 Ų31.27%0.07416%0.16CC..Hα-helixtrans-57.6-34.8-178.500000112C1118 I1121 H1122 L1143 Q1151C1118-A1147 HydrophobicContact CB-CB 4.34Å; I1121-A1147 HydrophobicContact CB-CB 4.16Å; I1121-A1147 HydrophobicContact CG2-CB 3.98Å; H1122-A1147 HydrophobicContact CB-CB 4.38Å; L1143-A1147 WeakPolarHBondContact O-CB 3.47Å; L1143-A1147 PolarHBondContact O-N 3.28Å; A1147-Q1151 WeakPolarHBondContact O-CB 3.23Å; A1147-Q1151 PolarHBondContact O-N 2.62Å
1148K96.2Very high94.5Very high50 Ų5028 Ų2822%0.21714%0.143CC..Hα-helixtrans-71.4-42.5180-172-173.8-178.5-1580113.5T1144 L1145 I1146 Q1151 N1152 F1159 E1163T1144-K1148 VanDerWaalsContact O-CB 3.29Å; T1144-K1148 WeakPolarHBondContact O-CB 3.31Å; T1144-K1148 PolarHBondContact O-N 2.98Å; L1145-K1148 PolarHBondContact O-N 2.95Å; I1146-K1148 PolarHBondContact O-N 3.25Å; K1148-Q1151 PolarHBondContact O-N 3.05Å; K1148-N1152 PolarHBondContact O-N 2.97Å; K1148-N1152 VanDerWaalsContact O-N 3.08Å; K1148-F1159 HydrophobicContact CG-CE1 4.5Å; K1148-E1163 WeakPolarHBondContact CE-OE1 3.32Å; K1148-E1163 WeakPolarHBondContact CE-OE2 3.47Å; K1148-E1163 IonicContact NZ-OE1 3.47Å; K1148-E1163 PolarHBondContact NZ-OE1 3.39Å; K1148-E1163 IonicContact NZ-OE2 2.95Å; K1148-E1163 PolarHBondContact NZ-OE2 2.6Å
1149V97.1Very high94.8Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-65.9-44.6176.5-176.40000110L1062 V1066 L1145 I1146 Q1151 N1152 L1153 F1159 L1169 F1172 I1173L1062-V1149 HydrophobicContact CD2-CG2 4.32Å; V1066-V1149 HydrophobicContact CG1-CB 4.22Å; V1066-V1149 HydrophobicContact CG1-CG1 3.87Å; V1066-V1149 HydrophobicContact CG2-CB 4.01Å; V1066-V1149 HydrophobicContact CG2-CG1 4.29Å; V1066-V1149 HydrophobicContact CG2-CG2 4.44Å; L1145-V1149 WeakPolarHBondContact O-CG2 3.37Å; L1145-V1149 PolarHBondContact O-N 2.99Å; L1145-V1149 VanDerWaalsContact O-N 3.14Å; I1146-V1149 PolarHBondContact O-N 3.15Å; V1149-Q1151 VanDerWaalsContact C-N 3.33Å; V1149-Q1151 PolarHBondContact O-N 3.18Å; V1149-N1152 PolarHBondContact O-N 2.87Å; V1149-L1153 PolarHBondContact O-N 3.24Å; V1149-L1153 VanDerWaalsContact O-N 3.12Å; V1149-F1159 HydrophobicContact CG2-CE2 4.49Å; V1149-F1159 HydrophobicContact CG2-CZ 4.33Å; V1149-L1169 HydrophobicContact CG1-CD1 4.5Å; V1149-L1169 HydrophobicContact CG2-CD1 3.47Å; V1149-L1169 VanDerWaalsContact CG2-CD1 3.47Å; V1149-F1172 HydrophobicContact CG1-CD1 4.41Å; V1149-I1173 HydrophobicContact CG1-CD1 4.23Å; V1149-I1173 HydrophobicContact CG1-CG1 4.36Å
1150L97.5Very high94.7Very high1 Ų127.6 Ų27.61%0.00515%0.145CC..Hα-helixtrans-62.6-38.6176-17365.1000112I1069 W1070 I1073 F1113 I1117 I1121 I1146 L1153 A1154I1069-L1150 HydrophobicContact CG2-CD2 4.08Å; W1070-L1150 HydrophobicContact CB-CD1 4.5Å; W1070-L1150 HydrophobicContact CE3-CD1 4.29Å; I1073-L1150 HydrophobicContact CD1-CD1 4.41Å; I1073-L1150 HydrophobicContact CD1-CD2 3.88Å; F1113-L1150 HydrophobicContact CD1-CD2 4.33Å; F1113-L1150 HydrophobicContact CD1-CG 4.18Å; F1113-L1150 HydrophobicContact CE1-CD1 4.26Å; F1113-L1150 HydrophobicContact CE1-CD2 4.43Å; F1113-L1150 HydrophobicContact CE1-CG 4.31Å; I1117-L1150 HydrophobicContact CG2-CD2 3.98Å; I1121-L1150 HydrophobicContact CD1-CD2 3.64Å; I1146-L1150 PolarHBondContact O-N 3.29Å; I1146-L1150 VanDerWaalsContact O-N 3.07Å; L1150-L1153 PolarHBondContact O-N 2.85Å; L1150-A1154 WeakPolarHBondContact O-CB 3.39Å; L1150-A1154 PolarHBondContact O-N 2.95Å
1151Q95.9Very high94.3Very high22 Ų2230.7 Ų30.710%0.10316%0.158CC..Hα-helixtrans-65.9-37.7176.5-170.562.561.700112.6C1118 A1147 K1148 V1149 A1154 N1155C1118-Q1151 PolarHBondContact SG-OE1 3.05Å; A1147-Q1151 WeakPolarHBondContact O-CB 3.23Å; A1147-Q1151 PolarHBondContact O-N 2.62Å; K1148-Q1151 PolarHBondContact O-N 3.05Å; V1149-Q1151 VanDerWaalsContact C-N 3.33Å; V1149-Q1151 PolarHBondContact O-N 3.18Å; Q1151-A1154 PolarHBondContact O-N 2.99Å; Q1151-N1155 PolarHBondContact NE2-OD1 3.05Å; Q1151-N1155 WeakPolarHBondContact O-CB 3.32Å; Q1151-N1155 PolarHBondContact O-N 3.26Å; Q1151-N1155 PolarHBondContact O-ND2 3.41Å; Q1151-N1155 PolarHBondContact O-OD1 2.94Å
1152N94.9Very high93.9Very high27 Ų2736.6 Ų36.614%0.14419%0.185CC..Hα-helixtrans-67.4-39.6175.9-88.831.7000112K1148 V1149 N1155 L1156 T1157 F1159 I1173K1148-N1152 PolarHBondContact O-N 2.97Å; K1148-N1152 VanDerWaalsContact O-N 3.08Å; V1149-N1152 PolarHBondContact O-N 2.87Å; N1152-N1155 PolarHBondContact O-N 3.43Å; N1152-L1156 PolarHBondContact O-N 2.9Å; N1152-T1157 CarbonylContact C-O 3.46Å; N1152-T1157 PolarHBondContact O-N 2.8Å; N1152-T1157 VanDerWaalsContact O-O 3.12Å; N1152-T1157 PolarHBondContact O-OG1 3.32Å; N1152-F1159 HydrophobicContact CB-CE2 4.39Å; N1152-F1159 HydrophobicContact CB-CZ 4.18Å; N1152-F1159 WeakPolarHBondContact ND2-CD1 3.17Å; N1152-F1159 WeakPolarHBondContact ND2-CE1 3.33Å; N1152-I1173 HydrophobicContact CB-CD1 3.95Å
1153L96.8Very high93.5Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-60.2-47.6170.3177.761.1000111.4W1070 V1149 L1150 N1155 L1156 F1172 I1173 E1176 I1177 M1180W1070-L1153 HydrophobicContact CD2-CD2 4Å; W1070-L1153 HydrophobicContact CG-CD2 4.13Å; V1149-L1153 PolarHBondContact O-N 3.24Å; V1149-L1153 VanDerWaalsContact O-N 3.12Å; L1150-L1153 PolarHBondContact O-N 2.85Å; L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 3.13Å; L1153-L1156 PolarHBondContact O-N 3.29Å; L1153-F1172 HydrophobicContact CD2-CE1 4.27Å; L1153-I1173 HydrophobicContact CB-CG2 4.3Å; L1153-I1173 HydrophobicContact CD1-CG2 4.08Å; L1153-E1176 HydrophobicContact CD1-CB 3.67Å; L1153-E1176 HydrophobicContact CD2-CB 4.08Å; L1153-I1177 HydrophobicContact CD1-CG1 4.17Å; L1153-M1180 HydrophobicContact CD1-CB 4.24Å; L1153-M1180 HydrophobicContact CD2-CE 4.02Å; L1153-M1180 HydrophobicContact CG-CB 4.4Å; L1153-M1180 HydrophobicContact CG-CE 3.77Å
1154A94.7Very high93.2Very high0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-63.6-34.7178.200000113.6S1109 F1113 L1150 Q1151 L1156 M1180S1109-A1154 PolarHBondContact OG-O 3.28Å; F1113-A1154 HydrophobicContact CB-CB 3.51Å; F1113-A1154 HydrophobicContact CD1-CB 3.89Å; F1113-A1154 HydrophobicContact CD2-CB 3.62Å; F1113-A1154 HydrophobicContact CE2-CB 4.33Å; F1113-A1154 HydrophobicContact CG-CB 3.38Å; L1150-A1154 WeakPolarHBondContact O-CB 3.39Å; L1150-A1154 PolarHBondContact O-N 2.95Å; Q1151-A1154 PolarHBondContact O-N 2.99Å; A1154-L1156 PolarHBondContact O-N 3.22Å; A1154-M1180 HydrophobicContact CB-CE 4.21Å
1155N92.3Very high92.8Very high39 Ų3945.7 Ų45.721%0.20923%0.227CC..THydrogen-bonded Turntrans-71.5-9.5173.8-68-14000113.1Q1151 N1152 L1153 T1157Q1151-N1155 PolarHBondContact NE2-OD1 3.05Å; Q1151-N1155 WeakPolarHBondContact O-CB 3.32Å; Q1151-N1155 PolarHBondContact O-N 3.26Å; Q1151-N1155 PolarHBondContact O-ND2 3.41Å; Q1151-N1155 PolarHBondContact O-OD1 2.94Å; N1152-N1155 PolarHBondContact O-N 3.43Å; L1153-N1155 VanDerWaalsContact C-N 3.33Å; L1153-N1155 PolarHBondContact O-N 3.13Å; N1155-T1157 VanDerWaalsContact C-N 3.27Å; N1155-T1157 HydrophobicContact CB-CG2 4.17Å; N1155-T1157 WeakPolarHBondContact CB-OG1 3.42Å; N1155-T1157 PolarHBondContact O-N 3.48Å
1156L92.3Very high92.7Very high36 Ų3645.7 Ų45.719%0.18823%0.227CC..THydrogen-bonded Turntrans58.335.3-169.7-44.9-179.3000112.8N1152 L1153 A1154 I1177 M1180 Y1181N1152-L1156 PolarHBondContact O-N 2.9Å; L1153-L1156 PolarHBondContact O-N 3.29Å; A1154-L1156 PolarHBondContact O-N 3.22Å; L1156-I1177 HydrophobicContact CD2-CG2 4.3Å; L1156-M1180 HydrophobicContact CD2-CB 4.1Å; L1156-M1180 HydrophobicContact CD2-CG 3.66Å; L1156-Y1181 HydrophobicContact CD1-CD2 4.17Å
1157T92.4Very high92.4Very high64 Ų6449.1 Ų49.139%0.39324%0.242SC..  trans-124.9133.1-175.555.60000112.9N1152 N1155N1152-T1157 CarbonylContact C-O 3.46Å; N1152-T1157 PolarHBondContact O-N 2.8Å; N1152-T1157 VanDerWaalsContact O-O 3.12Å; N1152-T1157 PolarHBondContact O-OG1 3.32Å; N1155-T1157 VanDerWaalsContact C-N 3.27Å; N1155-T1157 HydrophobicContact CB-CG2 4.17Å; N1155-T1157 WeakPolarHBondContact CB-OG1 3.42Å; N1155-T1157 PolarHBondContact O-N 3.48Å
1158L94.5Very high92.1Very high69 Ų6950.6 Ų50.636%0.36125%0.254SS..  trans-77.6157.2172.3-58-176.8000112E1160 N1170 I1173 E1174 I1177L1158-E1160 PolarHBondContact O-N 3.08Å; L1158-N1170 HydrophobicContact CD2-CB 4.22Å; L1158-I1173 HydrophobicContact CD2-CB 4.13Å; L1158-I1173 HydrophobicContact CD2-CG2 3.81Å; L1158-E1174 HydrophobicContact CD2-CB 4.04Å; L1158-I1177 HydrophobicContact CD2-CD1 4.16Å
1159F94.5Very high92.1Very high7 Ų748.2 Ų48.23%0.03124%0.244CC..  trans-68.8127.6172.6-72.4-76.4000111.8K1148 V1149 N1152 E1163 M1166 K1167 L1169 N1170 I1173K1148-F1159 HydrophobicContact CG-CE1 4.5Å; V1149-F1159 HydrophobicContact CG2-CE2 4.49Å; V1149-F1159 HydrophobicContact CG2-CZ 4.33Å; N1152-F1159 HydrophobicContact CB-CE2 4.39Å; N1152-F1159 HydrophobicContact CB-CZ 4.18Å; N1152-F1159 WeakPolarHBondContact ND2-CD1 3.17Å; N1152-F1159 WeakPolarHBondContact ND2-CE1 3.33Å; F1159-E1163 HydrophobicContact CD1-CB 4.37Å; F1159-M1166 HydrophobicContact CB-CB 4.16Å; F1159-M1166 HydrophobicContact CD1-CB 3.42Å; F1159-M1166 VanDerWaalsContact CD1-CB 3.42Å; F1159-M1166 HydrophobicContact CD1-CG 4.12Å; F1159-M1166 HydrophobicContact CD2-CB 3.85Å; F1159-M1166 WeakPolarHBondContact CD2-O 3.16Å; F1159-M1166 HydrophobicContact CE1-CB 3.64Å; F1159-M1166 HydrophobicContact CE1-CG 3.94Å; F1159-M1166 HydrophobicContact CE1-SD 4.27Å; F1159-M1166 HydrophobicContact CE2-CB 4.03Å; F1159-M1166 HydrophobicContact CG-CB 3.55Å; F1159-M1166 HydrophobicContact CZ-CB 3.94Å; F1159-M1166 HydrophobicContact CZ-CG 4.32Å; F1159-M1166 HydrophobicContact CZ-SD 4.16Å; F1159-K1167 HydrophobicContact CB-CG 4.44Å; F1159-L1169 HydrophobicContact CD2-CB 4.3Å; F1159-L1169 HydrophobicContact CE2-CB 4.07Å; F1159-L1169 HydrophobicContact CE2-CD1 4.16Å; F1159-N1170 WeakPolarHBondContact CB-OD1 3.28Å; F1159-N1170 WeakPolarHBondContact CD2-OD1 3.1Å; F1159-N1170 PolarHBondContact N-OD1 2.94Å; F1159-N1170 PolarHBondContact O-ND2 3.26Å; F1159-I1173 HydrophobicContact CD2-CD1 3.83Å; F1159-I1173 HydrophobicContact CE2-CD1 3.54Å
1160E90.6Very high92Very high113 Ų11349.3 Ų49.353%0.52825%0.25SC..  trans-88177.5177.7-60.9-178.7166.600113.4L1158 K1162 E1163L1158-E1160 PolarHBondContact O-N 3.08Å; E1160-K1162 PolarHBondContact O-N 3.1Å; E1160-K1162 VanDerWaalsContact O-N 3.12Å; E1160-K1162 IonicContact OE2-NZ 2.83Å; E1160-K1162 PolarHBondContact OE2-NZ 2.96Å; E1160-E1163 PolarHBondContact O-N 3.15Å
1161D82.8Confident91.8Very high112 Ų11253 Ų5360%0.59928%0.276SS*.G310 helixtrans-61.1-15.2176.3-70.1-76.7000115.5E1163 I1164 K1167D1161-E1163 PolarHBondContact O-N 3.19Å; D1161-I1164 WeakPolarHBondContact O-CG1 3.31Å; D1161-K1167 WeakPolarHBondContact OD1-CE 3.45Å; D1161-K1167 IonicContact OD1-NZ 2.74Å; D1161-K1167 PolarHBondContact OD1-NZ 3.11Å; D1161-K1167 IonicContact OD2-NZ 2.92Å; D1161-K1167 PolarHBondContact OD2-NZ 2.7Å
1162K83.7Confident91.8Very high173 Ų17353.3 Ų53.375%0.75228%0.277SS*.G310 helixtrans-62.5-25.6170.6-64.2172.9-170.6126.40111.8E1160E1160-K1162 PolarHBondContact O-N 3.1Å; E1160-K1162 VanDerWaalsContact O-N 3.12Å; E1160-K1162 IonicContact OE2-NZ 2.83Å; E1160-K1162 PolarHBondContact OE2-NZ 2.96Å
1163E87.1Confident91.8Very high61 Ų6152 Ų5229%0.28527%0.27SS..G310 helixtrans-13352.3-172-52.1-154.4117.500111.2K1148 F1159 E1160 D1161 H1165 M1166 K1167K1148-E1163 WeakPolarHBondContact CE-OE1 3.32Å; K1148-E1163 WeakPolarHBondContact CE-OE2 3.47Å; K1148-E1163 IonicContact NZ-OE1 3.47Å; K1148-E1163 PolarHBondContact NZ-OE1 3.39Å; K1148-E1163 IonicContact NZ-OE2 2.95Å; K1148-E1163 PolarHBondContact NZ-OE2 2.6Å; F1159-E1163 HydrophobicContact CD1-CB 4.37Å; E1160-E1163 PolarHBondContact O-N 3.15Å; D1161-E1163 PolarHBondContact O-N 3.19Å; E1163-H1165 PolarHBondContact O-N 3.45Å; E1163-M1166 HydrophobicContact CB-CB 4.19Å; E1163-M1166 HydrophobicContact CB-CG 4.19Å; E1163-M1166 WeakPolarHBondContact O-CA 3.34Å; E1163-M1166 WeakPolarHBondContact O-CB 3.46Å; E1163-M1166 PolarHBondContact O-N 3.39Å; E1163-K1167 PolarHBondContact O-N 3.19Å
1164I87.7Confident91.8Very high120 Ų12058 Ų5862%0.61530%0.298SS*.Hα-helixtrans-45.9-42.2-176.2-48.7-179.1000113D1161 M1166 K1167D1161-I1164 WeakPolarHBondContact O-CG1 3.31Å; I1164-M1166 PolarHBondContact O-N 2.9Å; I1164-K1167 WeakPolarHBondContact O-CB 3.21Å; I1164-K1167 PolarHBondContact O-N 3.03Å; I1164-K1167 VanDerWaalsContact O-N 3.14Å
1165H88.3Confident91.8Very high57 Ų5761.8 Ų61.826%0.26432%0.323SS..Hα-helixtrans-64.1-20178.265.7-74.1000114.4I1030 E1163I1030-H1165 WeakPolarHBondContact CD1-O 3.44Å; E1163-H1165 PolarHBondContact O-N 3.45Å
1166M92.9Very high92Very high0 Ų062.3 Ų62.30%032%0.324CS..Hα-helixtrans-95.2-17.3174.8-60.2-85.9137.700113.1I1030 L1145 F1159 E1163 I1164 A1168 L1169I1030-M1166 HydrophobicContact CD1-CE 3.58Å; I1030-M1166 HydrophobicContact CD1-SD 4.02Å; I1030-M1166 HydrophobicContact CG1-CE 3.41Å; I1030-M1166 VanDerWaalsContact CG1-CE 3.41Å; I1030-M1166 HydrophobicContact CG1-SD 4.49Å; L1145-M1166 HydrophobicContact CD2-CE 3.52Å; L1145-M1166 HydrophobicContact CD2-SD 4.44Å; F1159-M1166 HydrophobicContact CB-CB 4.16Å; F1159-M1166 HydrophobicContact CD1-CB 3.42Å; F1159-M1166 VanDerWaalsContact CD1-CB 3.42Å; F1159-M1166 HydrophobicContact CD1-CG 4.12Å; F1159-M1166 HydrophobicContact CD2-CB 3.85Å; F1159-M1166 WeakPolarHBondContact CD2-O 3.16Å; F1159-M1166 HydrophobicContact CE1-CB 3.64Å; F1159-M1166 HydrophobicContact CE1-CG 3.94Å; F1159-M1166 HydrophobicContact CE1-SD 4.27Å; F1159-M1166 HydrophobicContact CE2-CB 4.03Å; F1159-M1166 HydrophobicContact CG-CB 3.55Å; F1159-M1166 HydrophobicContact CZ-CB 3.94Å; F1159-M1166 HydrophobicContact CZ-CG 4.32Å; F1159-M1166 HydrophobicContact CZ-SD 4.16Å; E1163-M1166 HydrophobicContact CB-CB 4.19Å; E1163-M1166 HydrophobicContact CB-CG 4.19Å; E1163-M1166 WeakPolarHBondContact O-CA 3.34Å; E1163-M1166 WeakPolarHBondContact O-CB 3.46Å; E1163-M1166 PolarHBondContact O-N 3.39Å; I1164-M1166 PolarHBondContact O-N 2.9Å; M1166-A1168 PolarHBondContact O-N 3.49Å; M1166-A1168 VanDerWaalsContact O-N 3.08Å; M1166-L1169 HydrophobicContact CB-CD1 4.46Å; M1166-L1169 VanDerWaalsContact O-CB 3.27Å; M1166-L1169 WeakPolarHBondContact O-CB 3.49Å; M1166-L1169 WeakPolarHBondContact O-CG 3.5Å; M1166-L1169 PolarHBondContact O-N 3Å; M1166-L1169 HydrophobicContact SD-CD1 3.79Å
1167K92.3Very high92.2Very high71 Ų7162.7 Ų62.731%0.30933%0.325SS..Hα-helixtrans-52.9-34.1179.7-80.6-167.3162.4-172.20113.2F1159 D1161 E1163 I1164 L1169 N1170F1159-K1167 HydrophobicContact CB-CG 4.44Å; D1161-K1167 WeakPolarHBondContact OD1-CE 3.45Å; D1161-K1167 IonicContact OD1-NZ 2.74Å; D1161-K1167 PolarHBondContact OD1-NZ 3.11Å; D1161-K1167 IonicContact OD2-NZ 2.92Å; D1161-K1167 PolarHBondContact OD2-NZ 2.7Å; E1163-K1167 PolarHBondContact O-N 3.19Å; I1164-K1167 WeakPolarHBondContact O-CB 3.21Å; I1164-K1167 PolarHBondContact O-N 3.03Å; I1164-K1167 VanDerWaalsContact O-N 3.14Å; K1167-L1169 PolarHBondContact O-N 2.82Å; K1167-L1169 VanDerWaalsContact O-N 3.12Å; K1167-N1170 VanDerWaalsContact O-CB 3.24Å; K1167-N1170 WeakPolarHBondContact O-CB 3.48Å; K1167-N1170 VanDerWaalsContact O-CG 3.29Å; K1167-N1170 PolarHBondContact O-N 3.47Å; K1167-N1170 PolarHBondContact O-ND2 2.92Å
1168A90.3Very high92.4Very high40 Ų4063.7 Ų63.733%0.33133%0.333SS..THydrogen-bonded Turntrans-62.9-15.5177.400000113.7R1059 M1166 S1171R1059-A1168 PolarHBondContact NH2-O 3.48Å; M1166-A1168 PolarHBondContact O-N 3.49Å; M1166-A1168 VanDerWaalsContact O-N 3.08Å; A1168-S1171 PolarHBondContact O-OG 3.31Å
1169L94.7Very high92.4Very high0 Ų062.1 Ų62.10%033%0.326CS..THydrogen-bonded Turntrans-84.5-11175.2-50.9178.5000112.7I1030 R1059 L1062 L1063 V1149 F1159 M1166 K1167 S1171 F1172 I1173I1030-L1169 HydrophobicContact CD1-CD1 3.76Å; I1030-L1169 HydrophobicContact CD1-CD2 4.1Å; I1030-L1169 HydrophobicContact CD1-CG 4.04Å; R1059-L1169 HydrophobicContact CG-CD2 3.88Å; L1062-L1169 HydrophobicContact CD2-CD1 4.01Å; L1062-L1169 HydrophobicContact CD2-CD2 4.47Å; L1063-L1169 HydrophobicContact CD1-CD2 4.17Å; L1063-L1169 HydrophobicContact CD2-CB 4.45Å; L1063-L1169 HydrophobicContact CD2-CD2 3.77Å; L1063-L1169 HydrophobicContact CG-CD2 3.85Å; V1149-L1169 HydrophobicContact CG1-CD1 4.5Å; V1149-L1169 HydrophobicContact CG2-CD1 3.47Å; V1149-L1169 VanDerWaalsContact CG2-CD1 3.47Å; F1159-L1169 HydrophobicContact CD2-CB 4.3Å; F1159-L1169 HydrophobicContact CE2-CB 4.07Å; F1159-L1169 HydrophobicContact CE2-CD1 4.16Å; M1166-L1169 HydrophobicContact CB-CD1 4.46Å; M1166-L1169 VanDerWaalsContact O-CB 3.27Å; M1166-L1169 WeakPolarHBondContact O-CB 3.49Å; M1166-L1169 WeakPolarHBondContact O-CG 3.5Å; M1166-L1169 PolarHBondContact O-N 3Å; M1166-L1169 HydrophobicContact SD-CD1 3.79Å; K1167-L1169 PolarHBondContact O-N 2.82Å; K1167-L1169 VanDerWaalsContact O-N 3.12Å; L1169-S1171 PolarHBondContact O-N 3.22Å; L1169-F1172 PolarHBondContact O-N 2.91Å; L1169-I1173 PolarHBondContact O-N 3.25Å
1170N95.2Very high92.6Very high24 Ų2461.8 Ų61.813%0.12833%0.325CS..Hα-helixtrans-60.3-27.3176.2-68.3-16.1000112.1L1158 F1159 K1167 F1172 I1173 E1174L1158-N1170 HydrophobicContact CD2-CB 4.22Å; F1159-N1170 WeakPolarHBondContact CB-OD1 3.28Å; F1159-N1170 WeakPolarHBondContact CD2-OD1 3.1Å; F1159-N1170 PolarHBondContact N-OD1 2.94Å; F1159-N1170 PolarHBondContact O-ND2 3.26Å; K1167-N1170 VanDerWaalsContact O-CB 3.24Å; K1167-N1170 WeakPolarHBondContact O-CB 3.48Å; K1167-N1170 VanDerWaalsContact O-CG 3.29Å; K1167-N1170 PolarHBondContact O-N 3.47Å; K1167-N1170 PolarHBondContact O-ND2 2.92Å; N1170-F1172 PolarHBondContact O-N 2.98Å; N1170-F1172 VanDerWaalsContact O-N 3.11Å; N1170-I1173 PolarHBondContact O-N 2.97Å; N1170-I1173 VanDerWaalsContact O-N 3.1Å; N1170-E1174 WeakPolarHBondContact O-CB 3.37Å; N1170-E1174 PolarHBondContact O-N 3.04Å
1171S93.6Very high92.7Very high79 Ų7958.4 Ų58.455%0.55231%0.308SS*.Hα-helixtrans-62.5-15.1174.366.40000114.4A1168 L1169A1168-S1171 PolarHBondContact O-OG 3.31Å; L1169-S1171 PolarHBondContact O-N 3.22Å
1172F95.7Very high93.3Very high27 Ų2760.7 Ų60.712%0.11831%0.312CS..Hα-helixtrans-98.8-39.3168.9167.2-98.8000111.6L1063 V1066 A1067 W1070 V1149 L1153 L1169 N1170 P1175 E1176L1063-F1172 HydrophobicContact CD2-CB 3.67Å; L1063-F1172 HydrophobicContact CD2-CD1 4.26Å; L1063-F1172 HydrophobicContact CD2-CG 3.99Å; V1066-F1172 HydrophobicContact CG1-CD1 4.33Å; V1066-F1172 HydrophobicContact CG1-CE1 3.58Å; V1066-F1172 HydrophobicContact CG1-CZ 4.07Å; A1067-F1172 HydrophobicContact CB-CE2 3.79Å; A1067-F1172 HydrophobicContact CB-CZ 4.27Å; W1070-F1172 HydrophobicContact CB-CZ 4.4Å; V1149-F1172 HydrophobicContact CG1-CD1 4.41Å; L1153-F1172 HydrophobicContact CD2-CE1 4.27Å; L1169-F1172 PolarHBondContact O-N 2.91Å; N1170-F1172 PolarHBondContact O-N 2.98Å; N1170-F1172 VanDerWaalsContact O-N 3.11Å; F1172-P1175 WeakPolarHBondContact O-CD 3.25Å; F1172-E1176 HydrophobicContact CD2-CG 4.34Å; F1172-E1176 HydrophobicContact CE2-CG 3.96Å; F1172-E1176 HydrophobicContact CZ-CG 4.18Å; F1172-E1176 VanDerWaalsContact O-CG 3.28Å; F1172-E1176 WeakPolarHBondContact O-CG 3.34Å
1173I96.3Very high93.9Very high0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-69.1-47.4-175.8-62.6176.1000111.9V1149 N1152 L1153 L1158 F1159 L1169 N1170 E1176 I1177V1149-I1173 HydrophobicContact CG1-CD1 4.23Å; V1149-I1173 HydrophobicContact CG1-CG1 4.36Å; N1152-I1173 HydrophobicContact CB-CD1 3.95Å; L1153-I1173 HydrophobicContact CB-CG2 4.3Å; L1153-I1173 HydrophobicContact CD1-CG2 4.08Å; L1158-I1173 HydrophobicContact CD2-CB 4.13Å; L1158-I1173 HydrophobicContact CD2-CG2 3.81Å; F1159-I1173 HydrophobicContact CD2-CD1 3.83Å; F1159-I1173 HydrophobicContact CE2-CD1 3.54Å; L1169-I1173 PolarHBondContact O-N 3.25Å; N1170-I1173 PolarHBondContact O-N 2.97Å; N1170-I1173 VanDerWaalsContact O-N 3.1Å; I1173-E1176 PolarHBondContact O-N 3.15Å; I1173-E1176 VanDerWaalsContact O-N 3.11Å; I1173-I1177 HydrophobicContact CG2-CD1 4.12Å; I1173-I1177 HydrophobicContact CG2-CG1 4.21Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.43Å; I1173-I1177 PolarHBondContact O-N 3.35Å; I1173-I1177 VanDerWaalsContact O-N 3.1Å
1174E95.5Very high94.2Very high125 Ų12549.8 Ų49.858%0.58426%0.264SS*.Hα-helixtrans-55.9-49.6-174.5-172.2169.6-16400114.1L1158 N1170 E1176L1158-E1174 HydrophobicContact CD2-CB 4.04Å; N1170-E1174 WeakPolarHBondContact O-CB 3.37Å; N1170-E1174 PolarHBondContact O-N 3.04Å; E1174-E1176 VanDerWaalsContact C-N 3.3Å; E1174-E1176 PolarHBondContact O-N 3.49Å
1175P96.2Very high94.5Very high81 Ų8150 Ų5053%0.52626%0.257SS..Hα-helixtrans-70.8-20.6176.428.4-36.4000114.3F1172 P1178F1172-P1175 WeakPolarHBondContact O-CD 3.25Å; P1175-P1178 WeakPolarHBondContact O-CD 3.4Å
1176E96.4Very high94.7Very high50 Ų5047.9 Ų47.923%0.23425%0.249CC..Hα-helixtrans-90.5-12.8-178.2-69.5-63.4158.400113.7W1070 L1153 F1172 I1173 E1174 T1179 M1180W1070-E1176 PolarHBondContact NE1-OE2 2.83Å; L1153-E1176 HydrophobicContact CD1-CB 3.67Å; L1153-E1176 HydrophobicContact CD2-CB 4.08Å; F1172-E1176 HydrophobicContact CD2-CG 4.34Å; F1172-E1176 HydrophobicContact CE2-CG 3.96Å; F1172-E1176 HydrophobicContact CZ-CG 4.18Å; F1172-E1176 VanDerWaalsContact O-CG 3.28Å; F1172-E1176 WeakPolarHBondContact O-CG 3.34Å; I1173-E1176 PolarHBondContact O-N 3.15Å; I1173-E1176 VanDerWaalsContact O-N 3.11Å; E1174-E1176 VanDerWaalsContact C-N 3.3Å; E1174-E1176 PolarHBondContact O-N 3.49Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 3.48Å; E1176-T1179 VanDerWaalsContact O-N 3.14Å; E1176-T1179 WeakPolarHBondContact OE2-CB 3.48Å; E1176-T1179 PolarHBondContact OE2-OG1 3.25Å; E1176-M1180 PolarHBondContact O-N 3.43Å
1177I95.8Very high94.7Very high43 Ų4347.9 Ų47.922%0.22125%0.249CC..Hα-helixtrans-54.5-45.7176.5-81.2167.9000112.7L1153 L1156 L1158 I1173 T1179 M1180 Y1181L1153-I1177 HydrophobicContact CD1-CG1 4.17Å; L1156-I1177 HydrophobicContact CD2-CG2 4.3Å; L1158-I1177 HydrophobicContact CD2-CD1 4.16Å; I1173-I1177 HydrophobicContact CG2-CD1 4.12Å; I1173-I1177 HydrophobicContact CG2-CG1 4.21Å; I1173-I1177 WeakPolarHBondContact O-CG1 3.43Å; I1173-I1177 PolarHBondContact O-N 3.35Å; I1173-I1177 VanDerWaalsContact O-N 3.1Å; I1177-T1179 PolarHBondContact O-N 3.35Å; I1177-M1180 PolarHBondContact O-N 2.93Å; I1177-Y1181 PolarHBondContact O-N 2.94Å
1178P95.6Very high94.8Very high85 Ų8545.2 Ų45.255%0.55224%0.24SC*.Hα-helixtrans-63.8-38175.5-2335000113.1P1175 Y1181 K1182P1175-P1178 WeakPolarHBondContact O-CD 3.4Å; P1178-Y1181 PolarHBondContact O-N 2.7Å; P1178-K1182 WeakPolarHBondContact O-CB 3.29Å; P1178-K1182 PolarHBondContact O-N 3.25Å
1179T96.2Very high94.7Very high36 Ų3644.4 Ų44.422%0.22123%0.232CC..Hα-helixtrans-62.3-46.5175.2-45.50000110.6W1070 E1074 E1176 I1177 Y1181 K1182 F1183W1070-T1179 HydrophobicContact CZ2-CG2 4Å; E1074-T1179 HydrophobicContact CG-CG2 4.4Å; E1074-T1179 VanDerWaalsContact OE1-CG2 3.3Å; E1074-T1179 WeakPolarHBondContact OE1-CG2 3.44Å; E1176-T1179 WeakPolarHBondContact O-CB 3.45Å; E1176-T1179 PolarHBondContact O-N 3.48Å; E1176-T1179 VanDerWaalsContact O-N 3.14Å; E1176-T1179 WeakPolarHBondContact OE2-CB 3.48Å; E1176-T1179 PolarHBondContact OE2-OG1 3.25Å; I1177-T1179 PolarHBondContact O-N 3.35Å; T1179-Y1181 PolarHBondContact O-N 3.07Å; T1179-K1182 PolarHBondContact O-N 3.46Å; T1179-F1183 WeakPolarHBondContact O-CB 3.49Å; T1179-F1183 PolarHBondContact O-N 3.31Å
1180M96.7Very high94.2Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-58.3-47.7174.917760.773.100111.6W1070 F1113 L1153 A1154 L1156 E1176 I1177 K1182 F1183 L1184W1070-M1180 HydrophobicContact CE3-CE 3.84Å; W1070-M1180 HydrophobicContact CH2-CB 4.18Å; W1070-M1180 HydrophobicContact CH2-CE 3.45Å; W1070-M1180 VanDerWaalsContact CH2-CE 3.45Å; W1070-M1180 HydrophobicContact CH2-SD 3.73Å; W1070-M1180 HydrophobicContact CZ2-CB 4.15Å; W1070-M1180 HydrophobicContact CZ2-CE 4.11Å; W1070-M1180 HydrophobicContact CZ3-CE 3.28Å; W1070-M1180 HydrophobicContact CZ3-SD 3.98Å; F1113-M1180 HydrophobicContact CE1-CE 4.03Å; F1113-M1180 HydrophobicContact CE2-CE 4.01Å; F1113-M1180 HydrophobicContact CE2-SD 3.69Å; F1113-M1180 HydrophobicContact CZ-CE 3.63Å; F1113-M1180 HydrophobicContact CZ-SD 3.82Å; L1153-M1180 HydrophobicContact CD1-CB 4.24Å; L1153-M1180 HydrophobicContact CD2-CE 4.02Å; L1153-M1180 HydrophobicContact CG-CB 4.4Å; L1153-M1180 HydrophobicContact CG-CE 3.77Å; A1154-M1180 HydrophobicContact CB-CE 4.21Å; L1156-M1180 HydrophobicContact CD2-CB 4.1Å; L1156-M1180 HydrophobicContact CD2-CG 3.66Å; E1176-M1180 PolarHBondContact O-N 3.43Å; I1177-M1180 PolarHBondContact O-N 2.93Å; M1180-K1182 PolarHBondContact O-N 3.33Å; M1180-F1183 PolarHBondContact O-N 3.44Å; M1180-F1183 HydrophobicContact SD-CD1 4.37Å; M1180-L1184 HydrophobicContact CG-CD1 4.04Å; M1180-L1184 VanDerWaalsContact O-CG 3.27Å; M1180-L1184 WeakPolarHBondContact O-CG 3.16Å; M1180-L1184 PolarHBondContact O-N 2.89Å; M1180-L1184 HydrophobicContact SD-CD1 4.17Å; M1180-L1184 HydrophobicContact SD-CG 4.16Å
1181Y94.5Very high93.4Very high43 Ų4352.2 Ų52.217%0.16928%0.279CS..Hα-helixtrans-63.2-40.1178.6-170.7-96.6000112.7Q1102 A1105 L1156 I1177 P1178 T1179 L1184 R1185Q1102-Y1181 PolarHBondContact NE2-OH 3.49Å; A1105-Y1181 HydrophobicContact CB-CD2 4.17Å; A1105-Y1181 HydrophobicContact CB-CE2 3.64Å; L1156-Y1181 HydrophobicContact CD1-CD2 4.17Å; I1177-Y1181 PolarHBondContact O-N 2.94Å; P1178-Y1181 PolarHBondContact O-N 2.7Å; T1179-Y1181 PolarHBondContact O-N 3.07Å; Y1181-L1184 PolarHBondContact O-N 3.42Å; Y1181-R1185 HydrophobicContact CE1-CG 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.39Å; Y1181-R1185 VanDerWaalsContact O-N 3.07Å; Y1181-R1185 PolarHBondContact OH-NH2 3.13Å
1182K94.2Very high92.4Very high159 Ų15950.5 Ų50.569%0.69126%0.263SS*.Hα-helixtrans-63.3-43.2174.3-176.5-177.2176.2-173.60112P1178 T1179 M1180 R1185 S1186P1178-K1182 WeakPolarHBondContact O-CB 3.29Å; P1178-K1182 PolarHBondContact O-N 3.25Å; T1179-K1182 PolarHBondContact O-N 3.46Å; M1180-K1182 PolarHBondContact O-N 3.33Å; K1182-R1185 PolarHBondContact O-N 3.44Å; K1182-S1186 PolarHBondContact O-N 2.91Å
1183F95.7Very high91.4Very high4 Ų453.5 Ų53.52%0.01829%0.293CS..Hα-helixtrans-60.7-45.3175.1169.2-96.4000111.7W1070 I1073 Q1077 L1112 F1113 T1179 M1180 R1185 S1186 V1187W1070-F1183 HydrophobicContact CH2-CB 4.07Å; W1070-F1183 HydrophobicContact CH2-CD1 4.1Å; W1070-F1183 HydrophobicContact CH2-CG 4.07Å; W1070-F1183 HydrophobicContact CZ3-CD1 4.34Å; I1073-F1183 HydrophobicContact CG2-CE1 4.08Å; I1073-F1183 HydrophobicContact CG2-CE2 4.12Å; I1073-F1183 HydrophobicContact CG2-CZ 3.6Å; Q1077-F1183 HydrophobicContact CB-CD2 4.15Å; Q1077-F1183 HydrophobicContact CB-CE2 3.91Å; L1112-F1183 HydrophobicContact CD2-CE1 3.79Å; L1112-F1183 HydrophobicContact CD2-CZ 4.07Å; F1113-F1183 HydrophobicContact CE2-CE1 4.09Å; F1113-F1183 HydrophobicContact CZ-CD1 4.49Å; F1113-F1183 AromaticContact CZ-CE1 3.96Å; F1113-F1183 HydrophobicContact CZ-CE1 3.96Å; T1179-F1183 WeakPolarHBondContact O-CB 3.49Å; T1179-F1183 PolarHBondContact O-N 3.31Å; M1180-F1183 PolarHBondContact O-N 3.44Å; M1180-F1183 HydrophobicContact SD-CD1 4.37Å; F1183-R1185 PolarHBondContact O-N 2.87Å; F1183-S1186 WeakPolarHBondContact O-CB 3.21Å; F1183-S1186 PolarHBondContact O-N 2.89Å; F1183-S1186 VanDerWaalsContact O-N 3.11Å; F1183-V1187 HydrophobicContact CD2-CG1 4.27Å; F1183-V1187 HydrophobicContact CE1-CG1 4.25Å; F1183-V1187 HydrophobicContact CE2-CG1 3.82Å; F1183-V1187 HydrophobicContact CZ-CG1 3.8Å; F1183-V1187 PolarHBondContact O-N 2.99Å
1184L95.1Very high90.5Very high2 Ų255.6 Ų55.61%0.0130%0.304CS..Hα-helixtrans-60.9-43.5177.9-69.5167.4000112.4I1108 F1113 M1180 Y1181 S1186 V1187 A1188I1108-L1184 HydrophobicContact CG2-CD2 4.32Å; F1113-L1184 HydrophobicContact CE2-CD2 4.28Å; M1180-L1184 HydrophobicContact CG-CD1 4.04Å; M1180-L1184 VanDerWaalsContact O-CG 3.27Å; M1180-L1184 WeakPolarHBondContact O-CG 3.16Å; M1180-L1184 PolarHBondContact O-N 2.89Å; M1180-L1184 HydrophobicContact SD-CD1 4.17Å; M1180-L1184 HydrophobicContact SD-CG 4.16Å; Y1181-L1184 PolarHBondContact O-N 3.42Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; L1184-V1187 WeakPolarHBondContact O-CG2 3.32Å; L1184-A1188 WeakPolarHBondContact O-CB 3.38Å; L1184-A1188 PolarHBondContact O-N 3.32Å
1185R93.2Very high89.8Confident123 Ų12351.9 Ų51.946%0.46429%0.285SS..Hα-helixtrans-60.3-41.1171.6-85.1-82.8-170.379.6-2.6112.3Y1181 K1182 F1183 A1188 S1189Y1181-R1185 HydrophobicContact CE1-CG 4.13Å; Y1181-R1185 PolarHBondContact O-N 3.39Å; Y1181-R1185 VanDerWaalsContact O-N 3.07Å; Y1181-R1185 PolarHBondContact OH-NH2 3.13Å; K1182-R1185 PolarHBondContact O-N 3.44Å; F1183-R1185 PolarHBondContact O-N 2.87Å; R1185-A1188 PolarHBondContact O-N 3.37Å; R1185-S1189 WeakPolarHBondContact O-CB 3.42Å; R1185-S1189 PolarHBondContact O-N 2.89Å
1186S92.5Very high88.9Confident13 Ų1355.9 Ų55.99%0.09130%0.297CS..Hα-helixtrans-65.6-49.6-179.6175.20000112.6Q1077 R1085 K1182 F1183 L1184 A1188 S1189 D1192Q1077-S1186 PolarHBondContact OE1-OG 3.32Å; R1085-S1186 PolarHBondContact NH2-O 3.1Å; K1182-S1186 PolarHBondContact O-N 2.91Å; F1183-S1186 WeakPolarHBondContact O-CB 3.21Å; F1183-S1186 PolarHBondContact O-N 2.89Å; F1183-S1186 VanDerWaalsContact O-N 3.11Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; S1186-A1188 PolarHBondContact O-N 3.39Å; S1186-A1188 VanDerWaalsContact O-N 3.14Å; S1186-S1189 PolarHBondContact O-N 2.89Å; S1186-D1192 WeakPolarHBondContact CA-OD2 3.13Å; S1186-D1192 VanDerWaalsContact CB-OD2 3.23Å; S1186-D1192 WeakPolarHBondContact CB-OD2 3Å; S1186-D1192 PolarHBondContact OG-OD2 3.4Å
1187V93.6Very high88.2Confident0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-66.6-16.5-179.3-60.60000113.4Q1077 L1080 F1088 I1108 F1183 L1184Q1077-V1187 HydrophobicContact CB-CG1 4.36Å; L1080-V1187 HydrophobicContact CD2-CB 3.7Å; L1080-V1187 HydrophobicContact CD2-CG1 3.8Å; F1088-V1187 HydrophobicContact CD2-CB 4.43Å; F1088-V1187 HydrophobicContact CD2-CG2 4.32Å; I1108-V1187 HydrophobicContact CG2-CG2 4.24Å; F1183-V1187 HydrophobicContact CD2-CG1 4.27Å; F1183-V1187 HydrophobicContact CE1-CG1 4.25Å; F1183-V1187 HydrophobicContact CE2-CG1 3.82Å; F1183-V1187 HydrophobicContact CZ-CG1 3.8Å; F1183-V1187 PolarHBondContact O-N 2.99Å; L1184-V1187 WeakPolarHBondContact O-CG2 3.32Å
1188A93.1Very high87.4Confident16 Ų1657.1 Ų57.113%0.13231%0.305CS..THydrogen-bonded Turntrans-978.217600000114.2F1088 T1089 A1092 I1108 L1184 R1185 S1186F1088-A1188 HydrophobicContact CB-CB 4.45Å; T1089-A1188 WeakPolarHBondContact CA-O 3.3Å; T1089-A1188 PolarHBondContact OG1-O 3.24Å; T1089-A1188 VanDerWaalsContact OG1-O 3.14Å; A1092-A1188 HydrophobicContact CB-CB 4.15Å; I1108-A1188 HydrophobicContact CD1-CB 3.51Å; L1184-A1188 WeakPolarHBondContact O-CB 3.38Å; L1184-A1188 PolarHBondContact O-N 3.32Å; R1185-A1188 PolarHBondContact O-N 3.37Å; S1186-A1188 PolarHBondContact O-N 3.39Å; S1186-A1188 VanDerWaalsContact O-N 3.14Å
1189S89.4Confident86.6Confident23 Ų2356.6 Ų56.616%0.16130%0.3CS..  trans-121.4105.5-173.2168.10000111.1R1085 R1185 S1186 T1191 D1192R1085-S1189 PolarHBondContact NH1-O 3.49Å; R1185-S1189 WeakPolarHBondContact O-CB 3.42Å; R1185-S1189 PolarHBondContact O-N 2.89Å; S1186-S1189 PolarHBondContact O-N 2.89Å; S1189-T1191 PolarHBondContact O-N 3.45Å; S1189-T1191 PolarHBondContact OG-OG1 3.22Å; S1189-T1191 VanDerWaalsContact OG-OG1 3.07Å; S1189-D1192 WeakPolarHBondContact CB-OD1 3.49Å; S1189-D1192 WeakPolarHBondContact O-CB 3.47Å; S1189-D1192 PolarHBondContact O-N 2.9Å; S1189-D1192 PolarHBondContact OG-N 3.29Å; S1189-D1192 PolarHBondContact OG-OD1 3.08Å
1190N83.5Confident86Confident50 Ų5060 Ų6027%0.26732%0.317SS..THydrogen-bonded Turntrans-71.6-10.4171.8-79.9-5000114R1085 D1086 T1089 D1192 Y1195R1085-N1190 PolarHBondContact O-OD1 3.45Å; D1086-N1190 PolarHBondContact OD1-ND2 2.93Å; T1089-N1190 HydrophobicContact CG2-CB 4.25Å; T1089-N1190 VanDerWaalsContact OG1-CG 3.24Å; T1089-N1190 PolarHBondContact OG1-N 3.01Å; T1089-N1190 PolarHBondContact OG1-OD1 2.91Å; T1089-N1190 VanDerWaalsContact OG1-OD1 3.11Å; N1190-D1192 VanDerWaalsContact C-N 3.34Å; N1190-Y1195 HydrophobicContact CB-CD2 4.38Å; N1190-Y1195 HydrophobicContact CB-CE2 4.49Å; N1190-Y1195 WeakPolarHBondContact OD1-CD2 3.29Å; N1190-Y1195 VanDerWaalsContact OD1-CE2 3.3Å; N1190-Y1195 WeakPolarHBondContact OD1-CE2 3.17Å
1191T78Confident85.2Confident138 Ų13860.8 Ų60.885%0.84732%0.323SS*.THydrogen-bonded Turntrans-85.2-6.3174.446.70000113.4S1189S1189-T1191 PolarHBondContact O-N 3.45Å; S1189-T1191 PolarHBondContact OG-OG1 3.22Å; S1189-T1191 VanDerWaalsContact OG-OG1 3.07Å
1192D73.6Confident84.4Confident42 Ų4264 Ų6423%0.22534%0.343CS..SBendtrans-63.6138.1176-78.811.1000112R1085 S1186 S1189 N1190 N1194 Y1195R1085-D1192 IonicContact NH2-OD2 3.58Å; R1085-D1192 PolarHBondContact NH2-OD2 3.47Å; S1186-D1192 WeakPolarHBondContact CA-OD2 3.13Å; S1186-D1192 VanDerWaalsContact CB-OD2 3.23Å; S1186-D1192 WeakPolarHBondContact CB-OD2 3Å; S1186-D1192 PolarHBondContact OG-OD2 3.4Å; S1189-D1192 WeakPolarHBondContact CB-OD1 3.49Å; S1189-D1192 WeakPolarHBondContact O-CB 3.47Å; S1189-D1192 PolarHBondContact O-N 2.9Å; S1189-D1192 PolarHBondContact OG-N 3.29Å; S1189-D1192 PolarHBondContact OG-OD1 3.08Å; N1190-D1192 VanDerWaalsContact C-N 3.34Å; D1192-N1194 PolarHBondContact O-N 3.12Å; D1192-Y1195 VanDerWaalsContact O-CB 3.29Å; D1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; D1192-Y1195 PolarHBondContact O-N 3.02Å
1193A73.8Confident83.8Confident90 Ų9056.5 Ų56.574%0.74431%0.311SS*.G310 helixtrans-54.8-23.3172.600000113.5Y1195A1193-Y1195 VanDerWaalsContact C-N 3.32Å; A1193-Y1195 PolarHBondContact O-N 2.88Å
1194N78.1Confident83.1Confident44 Ų4460.5 Ų60.524%0.23533%0.329CS..G310 helixtrans-74.7-13.4175.8-68.5-38.3000114.3Q1077 C1078 D1192 H1196 L1197 S1198Q1077-N1194 PolarHBondContact NE2-ND2 3.02Å; C1078-N1194 HydrophobicContact CB-CB 4.01Å; D1192-N1194 PolarHBondContact O-N 3.12Å; N1194-H1196 VanDerWaalsContact C-N 3.32Å; N1194-H1196 PolarHBondContact O-N 3.12Å; N1194-L1197 WeakPolarHBondContact O-CB 3.37Å; N1194-L1197 PolarHBondContact O-N 3.01Å; N1194-L1197 VanDerWaalsContact O-N 3.14Å; N1194-S1198 PolarHBondContact O-N 3.46Å
1195Y81.1Confident82.2Confident48 Ų4865.1 Ų65.119%0.18835%0.35CS..G310 helixtrans-65.9-30.2-179.3-179.8-101.5000113.1K1082 R1085 D1086 N1190 D1192 A1193 L1197 S1198K1082-Y1195 HydrophobicContact CB-CE2 4.42Å; K1082-Y1195 HydrophobicContact CD-CE2 4.49Å; K1082-Y1195 HydrophobicContact CG-CE2 4.17Å; R1085-Y1195 HydrophobicContact CB-CD2 4.23Å; R1085-Y1195 HydrophobicContact CB-CE2 4.27Å; D1086-Y1195 PolarHBondContact OD1-OH 2.92Å; D1086-Y1195 VanDerWaalsContact OD1-OH 3.06Å; D1086-Y1195 PolarHBondContact OD2-OH 3.37Å; N1190-Y1195 HydrophobicContact CB-CD2 4.38Å; N1190-Y1195 HydrophobicContact CB-CE2 4.49Å; N1190-Y1195 WeakPolarHBondContact OD1-CD2 3.29Å; N1190-Y1195 VanDerWaalsContact OD1-CE2 3.3Å; N1190-Y1195 WeakPolarHBondContact OD1-CE2 3.17Å; D1192-Y1195 VanDerWaalsContact O-CB 3.29Å; D1192-Y1195 WeakPolarHBondContact O-CB 3.41Å; D1192-Y1195 PolarHBondContact O-N 3.02Å; A1193-Y1195 VanDerWaalsContact C-N 3.32Å; A1193-Y1195 PolarHBondContact O-N 2.88Å; Y1195-L1197 VanDerWaalsContact C-N 3.29Å; Y1195-L1197 PolarHBondContact O-N 2.99Å; Y1195-S1198 PolarHBondContact O-OG 2.85Å
1196H77.8Confident81.5Confident164 Ų16462.3 Ų62.376%0.75934%0.342SS*.G310 helixtrans-74-21.6174.6-71.8-56.8000113.4N1194N1194-H1196 VanDerWaalsContact C-N 3.32Å; N1194-H1196 PolarHBondContact O-N 3.12Å
1197L80.3Confident81.3Confident116 Ų11661.9 Ų61.961%0.60734%0.338SS*.THydrogen-bonded Turntrans-84.1-17.9-179.2-76.3150.2000113.3C1078 N1194 Y1195C1078-L1197 HydrophobicContact CB-CB 4.04Å; C1078-L1197 CarbonylContact O-C 3.38Å; C1078-L1197 VanDerWaalsContact O-O 3.08Å; N1194-L1197 WeakPolarHBondContact O-CB 3.37Å; N1194-L1197 PolarHBondContact O-N 3.01Å; N1194-L1197 VanDerWaalsContact O-N 3.14Å; Y1195-L1197 VanDerWaalsContact C-N 3.29Å; Y1195-L1197 PolarHBondContact O-N 2.99Å
1198S80.1Confident81Confident4 Ų462.5 Ų62.53%0.02834%0.341CS..SBendtrans-64.9143.5-179.642.80000112.3C1078 L1080 K1082 N1194 Y1195C1078-S1198 WeakPolarHBondContact O-CA 3.42Å; C1078-S1198 PolarHBondContact O-N 3.5Å; C1078-S1198 VanDerWaalsContact O-N 3.16Å; L1080-S1198 WeakPolarHBondContact O-CB 3.43Å; K1082-S1198 WeakPolarHBondContact CG-OG 3.42Å; K1082-S1198 PolarHBondContact NZ-O 3.28Å; N1194-S1198 PolarHBondContact O-N 3.46Å; Y1195-S1198 PolarHBondContact O-OG 2.85Å
1199T79.2Confident80.9Confident73 Ų7362.5 Ų62.545%0.44834%0.339SS..PPolyproline II helixtrans-71.9140.8177.251.10000110.1K1079 P1081 K1082K1079-T1199 PolarHBondContact O-OG1 2.71Å; P1081-T1199 VanDerWaalsContact CA-O 3.31Å; P1081-T1199 WeakPolarHBondContact CA-O 3.44Å; K1082-T1199 PolarHBondContact N-O 3.26Å
1200N81.7Confident81Confident107 Ų10761.4 Ų61.457%0.57233%0.332SS*.PPolyproline II helixtrans-75.3149.8159.4-67.434.8000108.3K1082 E1083K1082-N1200 WeakPolarHBondContact CD-OD1 3.16Å; K1082-N1200 PolarHBondContact NZ-OD1 3.33Å; E1083-N1200 WeakPolarHBondContact OE1-CA 3.2Å
1201S80.9Confident81.4Confident18 Ų1861.1 Ų61.113%0.12633%0.327CS..PPolyproline II helixtrans-97126.5171.8-171.40000110.3E1083 C1203E1083-S1201 VanDerWaalsContact CD-N 3.35Å; E1083-S1201 PolarHBondContact OE1-N 2.77Å; E1083-S1201 PolarHBondContact OE2-N 3.42Å; S1201-C1203 PolarHBondContact O-N 3.05Å; S1201-C1203 WeakPolarHBondContact OG-CB 3.49Å
1202D78.4Confident82.2Confident111 Ų11155.1 Ų55.159%0.59429%0.289SS*.G310 helixtrans-72.813.7174.1-62.1-38000112.8H1204 E1205 F1206D1202-H1204 PolarHBondContact O-N 3.19Å; D1202-H1204 VanDerWaalsContact O-N 3.08Å; D1202-E1205 WeakPolarHBondContact O-CB 3.49Å; D1202-E1205 PolarHBondContact O-N 2.93Å; D1202-F1206 HydrophobicContact CB-CE2 4.47Å; D1202-F1206 HydrophobicContact CB-CZ 4.04Å; D1202-F1206 WeakPolarHBondContact O-CE2 3.35Å; D1202-F1206 WeakPolarHBondContact O-CZ 3.26Å
1203C81.4Confident83.3Confident1 Ų153.2 Ų53.21%0.00728%0.279CS..G310 helixtrans-49.7-35.5-177.963.30000114.7E959 L1004 V1005 S1201 E1205 F1206E959-C1203 PolarHBondContact OE1-SG 2.85Å; L1004-C1203 HydrophobicContact CD1-CB 4.23Å; L1004-C1203 HydrophobicContact CG-CB 4.04Å; V1005-C1203 HydrophobicContact CG1-CB 4.06Å; S1201-C1203 PolarHBondContact O-N 3.05Å; S1201-C1203 WeakPolarHBondContact OG-CB 3.49Å; C1203-E1205 PolarHBondContact O-N 3.24Å; C1203-F1206 PolarHBondContact O-N 3.2Å
1204H79.8Confident84.3Confident87 Ų8749 Ų4940%0.40325%0.245SC..G310 helixtrans-55.6-30.3175-84.456.6000112.6E959 K960 D1202 F1206E959-H1204 PolarHBondContact O-CE1 3.06Å; E959-H1204 PolarHBondContact O-NE2 3.06Å; E959-H1204 IonicContact OE1-CE1 3.23Å; E959-H1204 PolarHBondContact OE1-CE1 3.14Å; E959-H1204 IonicContact OE1-ND1 2.89Å; E959-H1204 PolarHBondContact OE1-ND1 3.44Å; K960-H1204 PolarHBondContact NZ-O 3.19Å; D1202-H1204 PolarHBondContact O-N 3.19Å; D1202-H1204 VanDerWaalsContact O-N 3.08Å; H1204-F1206 PolarHBondContact O-N 2.94Å
1205E77.5Confident85Confident99 Ų9948.6 Ų48.646%0.46324%0.24SC..G310 helixtrans-70.2-22.7177.7-63.1-152.8153.100112.3F631 V632 R635 D1202 C1203F631-E1205 WeakPolarHBondContact CD1-O 3.48Å; F631-E1205 WeakPolarHBondContact CE1-O 3.44Å; V632-E1205 HydrophobicContact CG2-CB 4.22Å; R635-E1205 PolarHBondContact NH1-O 3.09Å; D1202-E1205 WeakPolarHBondContact O-CB 3.49Å; D1202-E1205 PolarHBondContact O-N 2.93Å; C1203-E1205 PolarHBondContact O-N 3.24Å
1206F77.9Confident85.7Confident64 Ų6446.3 Ų46.328%0.28123%0.231SC..G310 helixtrans-95.5-5.2-172.1-42.9-38.3000114.1I628 V632 D1202 C1203 H1204I628-F1206 HydrophobicContact CB-CD1 4.25Å; I628-F1206 HydrophobicContact CB-CE1 4.5Å; I628-F1206 HydrophobicContact CB-CG 4.37Å; I628-F1206 HydrophobicContact CD1-CD2 4.41Å; I628-F1206 HydrophobicContact CG1-CD2 4.29Å; I628-F1206 HydrophobicContact CG1-CG 4.29Å; I628-F1206 HydrophobicContact CG2-CD1 3.4Å; I628-F1206 VanDerWaalsContact CG2-CD1 3.4Å; I628-F1206 HydrophobicContact CG2-CD2 3.93Å; I628-F1206 HydrophobicContact CG2-CE1 3.25Å; I628-F1206 HydrophobicContact CG2-CE2 3.78Å; I628-F1206 HydrophobicContact CG2-CG 3.78Å; I628-F1206 HydrophobicContact CG2-CZ 3.46Å; I628-F1206 VanDerWaalsContact CG2-CZ 3.46Å; V632-F1206 HydrophobicContact CG2-CD1 3.81Å; V632-F1206 HydrophobicContact CG2-CE1 3.75Å; D1202-F1206 HydrophobicContact CB-CE2 4.47Å; D1202-F1206 HydrophobicContact CB-CZ 4.04Å; D1202-F1206 WeakPolarHBondContact O-CE2 3.35Å; D1202-F1206 WeakPolarHBondContact O-CZ 3.26Å; C1203-F1206 PolarHBondContact O-N 3.2Å; H1204-F1206 PolarHBondContact O-N 2.94Å
1207I87.8Confident86.5Confident4 Ų438.7 Ų38.72%0.02120%0.196CC..  trans-94128177.4-56.6163.7000109.8R635 N956 E959 K960 L1004 E1212R635-I1207 PolarHBondContact NH2-O 3.46Å; N956-I1207 HydrophobicContact CB-CD1 4.33Å; N956-I1207 HydrophobicContact CB-CG1 4.33Å; N956-I1207 HydrophobicContact CB-CG2 3.98Å; E959-I1207 HydrophobicContact CB-CD1 3.89Å; E959-I1207 HydrophobicContact CG-CD1 3.8Å; K960-I1207 HydrophobicContact CB-CB 4.25Å; K960-I1207 HydrophobicContact CB-CD1 4.24Å; K960-I1207 HydrophobicContact CB-CG2 3.82Å; K960-I1207 HydrophobicContact CD-CB 4.24Å; K960-I1207 HydrophobicContact CD-CG2 4.49Å; K960-I1207 WeakPolarHBondContact CE-O 3.47Å; K960-I1207 HydrophobicContact CG-CB 4.26Å; K960-I1207 HydrophobicContact CG-CG2 3.97Å; L1004-I1207 HydrophobicContact CD2-CD1 4.27Å; I1207-E1212 HydrophobicContact CG2-CG 4.35Å
1208E87.4Confident87.1Confident13 Ų1335.5 Ų35.56%0.06118%0.179CC..  trans-102.9113.8166.6-163.3-165.4120.500109.4F631 E642 H646 G1210 Y1211 E1212F631-E1208 HydrophobicContact CE1-CB 4.35Å; F631-E1208 HydrophobicContact CE2-CB 3.56Å; F631-E1208 HydrophobicContact CE2-CG 3.73Å; F631-E1208 WeakPolarHBondContact CE2-OE2 3.31Å; F631-E1208 HydrophobicContact CZ-CB 3.46Å; F631-E1208 VanDerWaalsContact CZ-CB 3.46Å; F631-E1208 HydrophobicContact CZ-CG 3.77Å; E642-E1208 HydrophobicContact CG-CG 4.08Å; H646-E1208 IonicContact CE1-OE1 2.74Å; H646-E1208 IonicContact NE2-OE1 3.09Å; E1208-G1210 PolarHBondContact O-N 3.4Å; E1208-Y1211 PolarHBondContact OE1-N 3.41Å; E1208-E1212 PolarHBondContact O-N 3.48Å; E1208-E1212 VanDerWaalsContact O-N 3.15Å
1209L91.3Very high87.7Confident17 Ų1736.2 Ų36.29%0.08918%0.182CC..Hα-helixtrans-70.8-33.6-172.6-168.963.2000112.3I917 I957 K960 L961 E1212 F1213I917-L1209 HydrophobicContact CD1-CB 4.1Å; I917-L1209 HydrophobicContact CD1-CD2 3.84Å; I917-L1209 HydrophobicContact CD1-CG 3.74Å; I917-L1209 HydrophobicContact CG1-CD2 4.33Å; I957-L1209 HydrophobicContact CB-CD1 4.45Å; I957-L1209 HydrophobicContact CG1-CD1 4.1Å; I957-L1209 HydrophobicContact CG2-CD1 4.46Å; K960-L1209 HydrophobicContact CB-CD1 4.31Å; K960-L1209 HydrophobicContact CG-CB 4.23Å; K960-L1209 HydrophobicContact CG-CD1 4.33Å; L961-L1209 HydrophobicContact CD2-CD2 3.65Å; L961-L1209 HydrophobicContact CG-CD1 4.26Å; L961-L1209 HydrophobicContact CG-CD2 4.16Å; L1209-E1212 PolarHBondContact O-N 2.97Å; L1209-F1213 HydrophobicContact CD1-CD2 4.04Å; L1209-F1213 HydrophobicContact CD1-CE2 3.64Å; L1209-F1213 HydrophobicContact CD1-CZ 4.46Å; L1209-F1213 HydrophobicContact CD2-CE2 4.06Å; L1209-F1213 HydrophobicContact CG-CD2 3.82Å; L1209-F1213 HydrophobicContact CG-CE2 3.63Å; L1209-F1213 VanDerWaalsContact O-CD2 3.28Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.37Å; L1209-F1213 PolarHBondContact O-N 3.38Å
1210G92.2Very high88.4Confident0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-61.4-52.4174.700000112.3E1208 E1212 F1213 A1214E1208-G1210 PolarHBondContact O-N 3.4Å; G1210-E1212 PolarHBondContact O-N 3.07Å; G1210-F1213 PolarHBondContact O-N 3.18Å; G1210-A1214 WeakPolarHBondContact O-CB 3.32Å; G1210-A1214 PolarHBondContact O-N 2.99Å
1211Y91.7Very high88.9Confident43 Ų4330.7 Ų30.717%0.16915%0.15CC..Hα-helixtrans-53.2-48.4172.6178.5-92.8000113.2D648 V912 I914 E1208 F1213 A1214 K1215D648-Y1211 HydrophobicContact CB-CD2 4.14Å; D648-Y1211 HydrophobicContact CB-CE2 4.34Å; D648-Y1211 VanDerWaalsContact OD2-CE2 3.23Å; D648-Y1211 WeakPolarHBondContact OD2-CE2 3.46Å; V912-Y1211 HydrophobicContact CB-CE2 4.37Å; V912-Y1211 HydrophobicContact CG2-CE2 4.1Å; I914-Y1211 HydrophobicContact CD1-CD2 4.02Å; E1208-Y1211 PolarHBondContact OE1-N 3.41Å; Y1211-F1213 PolarHBondContact O-N 3.49Å; Y1211-A1214 PolarHBondContact O-N 3.24Å; Y1211-K1215 HydrophobicContact CD1-CD 4.39Å; Y1211-K1215 HydrophobicContact CE1-CB 4.46Å; Y1211-K1215 HydrophobicContact CE1-CD 3.55Å; Y1211-K1215 VanDerWaalsContact O-CB 3.27Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.14Å; Y1211-K1215 PolarHBondContact O-N 3.31Å
1212E94.5Very high89.3Confident13 Ų1333.8 Ų33.86%0.06116%0.162CC..Hα-helixtrans-68.2-35.7-177.3-67.1-64.7176.200112.6C953 N956 I957 I1207 E1208 L1209 G1210 K1215 L1216C953-E1212 PolarHBondContact SG-OE2 3.13Å; N956-E1212 HydrophobicContact CB-CG 3.83Å; N956-E1212 PolarHBondContact ND2-OE1 3.27Å; I957-E1212 HydrophobicContact CD1-CB 4.29Å; I957-E1212 HydrophobicContact CG1-CB 3.94Å; I1207-E1212 HydrophobicContact CG2-CG 4.35Å; E1208-E1212 PolarHBondContact O-N 3.48Å; E1208-E1212 VanDerWaalsContact O-N 3.15Å; L1209-E1212 PolarHBondContact O-N 2.97Å; G1210-E1212 PolarHBondContact O-N 3.07Å; E1212-K1215 IonicContact OE1-NZ 2.67Å; E1212-K1215 IonicContact OE2-NZ 2.92Å; E1212-K1215 PolarHBondContact OE2-NZ 3.13Å; E1212-L1216 WeakPolarHBondContact O-CB 3.26Å; E1212-L1216 PolarHBondContact O-N 2.8Å
1213F96.3Very high89.9Confident2 Ų228.7 Ų28.71%0.00913%0.134CC..Hα-helixtrans-68.3-38.8170.8-82.2-60.8000112.8I917 Y920 L923 K924 I957 L961 L1209 G1210 Y1211 L1216 T1217I917-F1213 HydrophobicContact CD1-CD2 3.78Å; I917-F1213 HydrophobicContact CD1-CE2 4.15Å; Y920-F1213 HydrophobicContact CD1-CB 3.74Å; Y920-F1213 HydrophobicContact CD1-CG 4.48Å; Y920-F1213 HydrophobicContact CD2-CB 3.73Å; Y920-F1213 HydrophobicContact CD2-CG 4.41Å; Y920-F1213 HydrophobicContact CE1-CB 4.12Å; Y920-F1213 HydrophobicContact CE2-CB 4.12Å; Y920-F1213 HydrophobicContact CG-CB 3.53Å; Y920-F1213 HydrophobicContact CG-CD2 4.42Å; Y920-F1213 HydrophobicContact CG-CG 4.02Å; L923-F1213 HydrophobicContact CD2-CD1 4.06Å; L923-F1213 HydrophobicContact CG-CD1 4.31Å; K924-F1213 HydrophobicContact CB-CE1 4.23Å; K924-F1213 HydrophobicContact CB-CE2 4.41Å; K924-F1213 HydrophobicContact CB-CZ 3.69Å; K924-F1213 HydrophobicContact CG-CZ 4.04Å; I957-F1213 HydrophobicContact CD1-CD1 3.95Å; I957-F1213 HydrophobicContact CD1-CE1 3.94Å; I957-F1213 HydrophobicContact CD1-CG 4.43Å; I957-F1213 HydrophobicContact CD1-CZ 4.42Å; I957-F1213 HydrophobicContact CG1-CE1 4.49Å; I957-F1213 HydrophobicContact CG1-CZ 4.49Å; I957-F1213 HydrophobicContact CG2-CE1 4.2Å; I957-F1213 HydrophobicContact CG2-CZ 3.86Å; L961-F1213 HydrophobicContact CD1-CZ 4.39Å; L1209-F1213 HydrophobicContact CD1-CD2 4.04Å; L1209-F1213 HydrophobicContact CD1-CE2 3.64Å; L1209-F1213 HydrophobicContact CD1-CZ 4.46Å; L1209-F1213 HydrophobicContact CD2-CE2 4.06Å; L1209-F1213 HydrophobicContact CG-CD2 3.82Å; L1209-F1213 HydrophobicContact CG-CE2 3.63Å; L1209-F1213 VanDerWaalsContact O-CD2 3.28Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.37Å; L1209-F1213 PolarHBondContact O-N 3.38Å; G1210-F1213 PolarHBondContact O-N 3.18Å; Y1211-F1213 PolarHBondContact O-N 3.49Å; F1213-L1216 HydrophobicContact CD1-CD2 4.48Å; F1213-L1216 PolarHBondContact O-N 2.78Å; F1213-T1217 WeakPolarHBondContact O-CB 3.36Å; F1213-T1217 PolarHBondContact O-N 3.29Å; F1213-T1217 PolarHBondContact O-OG1 3.12Å
1214A94.5Very high90.2Very high2 Ų229.8 Ų29.82%0.01714%0.141CC..Hα-helixtrans-61.7-47.4175.100000111.4V912 I914 Y920 G1210 Y1211 T1217 Q1218V912-A1214 HydrophobicContact CG1-CB 3.72Å; I914-A1214 HydrophobicContact CB-CB 4.42Å; I914-A1214 HydrophobicContact CG1-CB 3.88Å; Y920-A1214 WeakPolarHBondContact OH-CB 3.43Å; G1210-A1214 WeakPolarHBondContact O-CB 3.32Å; G1210-A1214 PolarHBondContact O-N 2.99Å; Y1211-A1214 PolarHBondContact O-N 3.24Å; A1214-T1217 WeakPolarHBondContact O-CB 3.44Å; A1214-T1217 PolarHBondContact O-N 2.84Å; A1214-Q1218 WeakPolarHBondContact O-CG 3.49Å; A1214-Q1218 PolarHBondContact O-N 3.36Å
1215K93.9Very high90.4Very high34 Ų3430.4 Ų30.415%0.14816%0.155CC..Hα-helixtrans-65-43177-178.8176.8147.8-139.60112.1C953 Y1211 E1212 T1217 Q1218 L1219C953-K1215 WeakPolarHBondContact SG-CE 3.43Å; C953-K1215 PolarHBondContact SG-NZ 2.92Å; Y1211-K1215 HydrophobicContact CD1-CD 4.39Å; Y1211-K1215 HydrophobicContact CE1-CB 4.46Å; Y1211-K1215 HydrophobicContact CE1-CD 3.55Å; Y1211-K1215 VanDerWaalsContact O-CB 3.27Å; Y1211-K1215 WeakPolarHBondContact O-CB 3.14Å; Y1211-K1215 PolarHBondContact O-N 3.31Å; E1212-K1215 IonicContact OE1-NZ 2.67Å; E1212-K1215 IonicContact OE2-NZ 2.92Å; E1212-K1215 PolarHBondContact OE2-NZ 3.13Å; K1215-T1217 VanDerWaalsContact C-N 3.33Å; K1215-T1217 PolarHBondContact O-N 3.32Å; K1215-Q1218 PolarHBondContact O-N 3.26Å; K1215-L1219 HydrophobicContact CG-CD1 4.49Å; K1215-L1219 WeakPolarHBondContact O-CG 3.36Å; K1215-L1219 PolarHBondContact O-N 2.96Å
1216L96Very high90.6Very high0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-60-43.5172.5-179.862.3000111.1I927 L950 C953 F954 I957 E1212 F1213 Q1218 L1219 L1220I927-L1216 HydrophobicContact CD1-CD2 3.83Å; I927-L1216 HydrophobicContact CG1-CD2 4.01Å; L950-L1216 HydrophobicContact CD1-CD1 3.74Å; C953-L1216 HydrophobicContact CB-CB 4.16Å; C953-L1216 HydrophobicContact CB-CD1 4.28Å; F954-L1216 HydrophobicContact CE2-CD1 4.35Å; I957-L1216 HydrophobicContact CD1-CB 4.39Å; I957-L1216 HydrophobicContact CD1-CD2 3.63Å; E1212-L1216 WeakPolarHBondContact O-CB 3.26Å; E1212-L1216 PolarHBondContact O-N 2.8Å; F1213-L1216 HydrophobicContact CD1-CD2 4.48Å; F1213-L1216 PolarHBondContact O-N 2.78Å; L1216-Q1218 PolarHBondContact O-N 2.81Å; L1216-L1219 PolarHBondContact O-N 3.04Å; L1216-L1220 HydrophobicContact CD1-CD1 3.88Å; L1216-L1220 HydrophobicContact CD1-CD2 4.43Å; L1216-L1220 HydrophobicContact CD1-CG 3.92Å; L1216-L1220 HydrophobicContact CD2-CD1 4.39Å; L1216-L1220 HydrophobicContact CG-CD1 3.78Å; L1216-L1220 HydrophobicContact CG-CG 4.2Å; L1216-L1220 WeakPolarHBondContact O-CB 3.35Å; L1216-L1220 VanDerWaalsContact O-CG 3.27Å; L1216-L1220 WeakPolarHBondContact O-CG 3.33Å; L1216-L1220 PolarHBondContact O-N 3.47Å
1217T94.5Very high91Very high4 Ų427.7 Ų27.73%0.02514%0.142CC..Hα-helixtrans-60-45.1175.9-57.40000111.3L923 F1213 A1214 K1215 L1219 L1220 N1221 L1240 I1243L923-T1217 WeakPolarHBondContact CD2-OG1 3.43Å; F1213-T1217 WeakPolarHBondContact O-CB 3.36Å; F1213-T1217 PolarHBondContact O-N 3.29Å; F1213-T1217 PolarHBondContact O-OG1 3.12Å; A1214-T1217 WeakPolarHBondContact O-CB 3.44Å; A1214-T1217 PolarHBondContact O-N 2.84Å; K1215-T1217 VanDerWaalsContact C-N 3.33Å; K1215-T1217 PolarHBondContact O-N 3.32Å; T1217-L1219 PolarHBondContact O-N 2.74Å; T1217-L1220 PolarHBondContact O-N 3.03Å; T1217-N1221 WeakPolarHBondContact O-CB 3.24Å; T1217-N1221 PolarHBondContact O-N 3.49Å; T1217-N1221 PolarHBondContact O-ND2 3.48Å; T1217-L1240 HydrophobicContact CG2-CD2 3.79Å; T1217-I1243 HydrophobicContact CG2-CB 4.23Å; T1217-I1243 HydrophobicContact CG2-CD1 4.33Å; T1217-I1243 HydrophobicContact CG2-CG2 3.71Å
1218Q91.9Very high90.8Very high50 Ų5033.1 Ų33.123%0.23417%0.171CC..Hα-helixtrans-60-45.4175.6-72.1-175.9-3.900112.1A1214 K1215 L1216 H1222A1214-Q1218 WeakPolarHBondContact O-CG 3.49Å; A1214-Q1218 PolarHBondContact O-N 3.36Å; K1215-Q1218 PolarHBondContact O-N 3.26Å; L1216-Q1218 PolarHBondContact O-N 2.81Å; Q1218-H1222 PolarHBondContact O-N 3.05Å; Q1218-H1222 VanDerWaalsContact O-N 3.16Å
1219L93.2Very high90.7Very high18 Ų1837 Ų379%0.09419%0.192CC..Hα-helixtrans-63.1-49177.5-71.5173.1000111.5E949 K1215 L1216 T1217 H1222 Y1223E949-L1219 HydrophobicContact CB-CD1 4.26Å; E949-L1219 HydrophobicContact CB-CD2 4.34Å; K1215-L1219 HydrophobicContact CG-CD1 4.49Å; K1215-L1219 WeakPolarHBondContact O-CG 3.36Å; K1215-L1219 PolarHBondContact O-N 2.96Å; L1216-L1219 PolarHBondContact O-N 3.04Å; T1217-L1219 PolarHBondContact O-N 2.74Å; L1219-H1222 WeakPolarHBondContact O-CB 3.46Å; L1219-H1222 PolarHBondContact O-N 3.33Å; L1219-H1222 VanDerWaalsContact O-N 3.15Å; L1219-Y1223 HydrophobicContact CB-CD2 4.37Å; L1219-Y1223 HydrophobicContact CB-CE2 3.91Å; L1219-Y1223 HydrophobicContact CD2-CE2 4.1Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.38Å; L1219-Y1223 VanDerWaalsContact O-CG 3.32Å; L1219-Y1223 PolarHBondContact O-N 3.28Å
1220L94.7Very high90.5Very high0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-64-42-180-67.6177.4000111.7L923 L934 L938 L950 L1216 T1217 H1222 Y1223 V1224 L1236 L1240L923-L1220 HydrophobicContact CD1-CD1 4.36Å; L934-L1220 HydrophobicContact CD1-CD2 4.23Å; L934-L1220 HydrophobicContact CD2-CD1 4.21Å; L934-L1220 HydrophobicContact CD2-CD2 3.95Å; L934-L1220 HydrophobicContact CG-CD2 4.46Å; L938-L1220 HydrophobicContact CD1-CD2 3.75Å; L950-L1220 HydrophobicContact CD1-CD2 4.28Å; L1216-L1220 HydrophobicContact CD1-CD1 3.88Å; L1216-L1220 HydrophobicContact CD1-CD2 4.43Å; L1216-L1220 HydrophobicContact CD1-CG 3.92Å; L1216-L1220 HydrophobicContact CD2-CD1 4.39Å; L1216-L1220 HydrophobicContact CG-CD1 3.78Å; L1216-L1220 HydrophobicContact CG-CG 4.2Å; L1216-L1220 WeakPolarHBondContact O-CB 3.35Å; L1216-L1220 VanDerWaalsContact O-CG 3.27Å; L1216-L1220 WeakPolarHBondContact O-CG 3.33Å; L1216-L1220 PolarHBondContact O-N 3.47Å; T1217-L1220 PolarHBondContact O-N 3.03Å; L1220-H1222 VanDerWaalsContact C-N 3.27Å; L1220-H1222 PolarHBondContact O-N 3.42Å; L1220-Y1223 CarbonylContact O-C 3.49Å; L1220-Y1223 PolarHBondContact O-N 2.84Å; L1220-V1224 WeakPolarHBondContact O-CB 3.2Å; L1220-V1224 VanDerWaalsContact O-CG2 3.31Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.24Å; L1220-V1224 PolarHBondContact O-N 3.13Å; L1220-L1236 HydrophobicContact CD1-CD1 4.12Å; L1220-L1240 HydrophobicContact CB-CD1 3.9Å; L1220-L1240 HydrophobicContact CB-CD2 3.98Å
1221N91.8Very high90.1Very high64 Ų6443.1 Ų43.134%0.34223%0.232SC..Hα-helixtrans-56.9-40172.4-91.6-38.5000112.4T1217 Y1223 L1240T1217-N1221 WeakPolarHBondContact O-CB 3.24Å; T1217-N1221 PolarHBondContact O-N 3.49Å; T1217-N1221 PolarHBondContact O-ND2 3.48Å; N1221-Y1223 VanDerWaalsContact C-N 3.35Å; N1221-Y1223 PolarHBondContact O-N 3.36Å; N1221-L1240 WeakPolarHBondContact OD1-CB 3.33Å
1222H89.6Confident89.8Confident83 Ų8345.4 Ų45.438%0.38424%0.244SC..Hα-helixtrans-69-30.2175.9-174.681.7000113.4Q1218 L1219 L1220 S1225 K1226Q1218-H1222 PolarHBondContact O-N 3.05Å; Q1218-H1222 VanDerWaalsContact O-N 3.16Å; L1219-H1222 WeakPolarHBondContact O-CB 3.46Å; L1219-H1222 PolarHBondContact O-N 3.33Å; L1219-H1222 VanDerWaalsContact O-N 3.15Å; L1220-H1222 VanDerWaalsContact C-N 3.27Å; L1220-H1222 PolarHBondContact O-N 3.42Å; H1222-S1225 PolarHBondContact O-OG 3.06Å; H1222-K1226 PolarHBondContact CD2-NZ 2.88Å; H1222-K1226 PolarHBondContact NE2-NZ 3.32Å
1223Y89.6Confident89.6Confident5 Ų544.8 Ų44.82%0.0224%0.241CC..Hα-helixtrans-95.4-25.1-177.4-56.4-44.9000115.1L938 L942 Q946 L1219 L1220 N1221 S1225 K1226 I1227L938-Y1223 VanDerWaalsContact CD2-CB 3.4Å; L938-Y1223 HydrophobicContact CD2-CD2 4.22Å; L938-Y1223 HydrophobicContact CD2-CG 4.08Å; L942-Y1223 HydrophobicContact CD1-CE2 4.41Å; L942-Y1223 HydrophobicContact CD2-CD1 3.38Å; L942-Y1223 HydrophobicContact CD2-CD2 3.97Å; L942-Y1223 HydrophobicContact CD2-CE1 3.32Å; L942-Y1223 HydrophobicContact CD2-CE2 3.92Å; L942-Y1223 HydrophobicContact CD2-CG 3.75Å; Q946-Y1223 HydrophobicContact CB-CE1 4.41Å; Q946-Y1223 VanDerWaalsContact CB-OH 3.24Å; Q946-Y1223 WeakPolarHBondContact CB-OH 3.33Å; Q946-Y1223 HydrophobicContact CG-CE1 4.33Å; Q946-Y1223 VanDerWaalsContact CG-OH 3.25Å; Q946-Y1223 WeakPolarHBondContact CG-OH 3.4Å; L1219-Y1223 HydrophobicContact CB-CD2 4.37Å; L1219-Y1223 HydrophobicContact CB-CE2 3.91Å; L1219-Y1223 HydrophobicContact CD2-CE2 4.1Å; L1219-Y1223 WeakPolarHBondContact O-CD2 3.38Å; L1219-Y1223 VanDerWaalsContact O-CG 3.32Å; L1219-Y1223 PolarHBondContact O-N 3.28Å; L1220-Y1223 CarbonylContact O-C 3.49Å; L1220-Y1223 PolarHBondContact O-N 2.84Å; N1221-Y1223 VanDerWaalsContact C-N 3.35Å; N1221-Y1223 PolarHBondContact O-N 3.36Å; Y1223-S1225 PolarHBondContact O-N 3.34Å; Y1223-K1226 WeakPolarHBondContact O-CA 3.3Å; Y1223-K1226 WeakPolarHBondContact O-CB 3.42Å; Y1223-K1226 PolarHBondContact O-N 3Å; Y1223-I1227 PolarHBondContact O-N 2.9Å
1224V87.5Confident89.3Confident24 Ų2447 Ų4715%0.14526%0.26CS..Hα-helixtrans-60.9-35.1-179.4160.90000111.6L1220 K1226 I1227 L1236 P1237 L1240L1220-V1224 WeakPolarHBondContact O-CB 3.2Å; L1220-V1224 VanDerWaalsContact O-CG2 3.31Å; L1220-V1224 WeakPolarHBondContact O-CG2 3.24Å; L1220-V1224 PolarHBondContact O-N 3.13Å; V1224-K1226 PolarHBondContact O-N 3.42Å; V1224-K1226 VanDerWaalsContact O-N 3.08Å; V1224-I1227 HydrophobicContact CG2-CD1 4.12Å; V1224-I1227 PolarHBondContact O-N 3Å; V1224-L1236 HydrophobicContact CG2-CD2 3.64Å; V1224-L1236 HydrophobicContact CG2-CG 4.03Å; V1224-P1237 HydrophobicContact CG1-CB 4.49Å; V1224-P1237 HydrophobicContact CG1-CG 4.25Å; V1224-L1240 HydrophobicContact CB-CD1 4.34Å; V1224-L1240 HydrophobicContact CG2-CD1 3.64Å
1225S84.3Confident89.1Confident100 Ų10051.6 Ų51.670%0.69928%0.281SS*.THydrogen-bonded Turntrans-61.1-13.7171.364.50000115.1H1222 Y1223H1222-S1225 PolarHBondContact O-OG 3.06Å; Y1223-S1225 PolarHBondContact O-N 3.34Å
1226K82.6Confident89.1Confident89 Ų8950 Ų5039%0.38727%0.274SS..THydrogen-bonded Turntrans-111.7-20.2-175.1-55.1178.3-169.5172.40113.4K941 H1222 Y1223 V1224K941-K1226 WeakPolarHBondContact CD-O 3.41Å; K941-K1226 WeakPolarHBondContact CE-O 3.37Å; K941-K1226 PolarHBondContact NZ-O 3.15Å; H1222-K1226 PolarHBondContact CD2-NZ 2.88Å; H1222-K1226 PolarHBondContact NE2-NZ 3.32Å; Y1223-K1226 WeakPolarHBondContact O-CA 3.3Å; Y1223-K1226 WeakPolarHBondContact O-CB 3.42Å; Y1223-K1226 PolarHBondContact O-N 3Å; V1224-K1226 PolarHBondContact O-N 3.42Å; V1224-K1226 VanDerWaalsContact O-N 3.08Å
1227I86.3Confident88.9Confident16 Ų1651.7 Ų51.78%0.08229%0.285CS..SBendtrans-87.5156.1179.966.4-172.2000111.5L938 K941 Y1223 V1224 I1233L938-I1227 HydrophobicContact CD2-CD1 4.44Å; L938-I1227 HydrophobicContact CD2-CG2 3.58Å; L938-I1227 HydrophobicContact CG-CG2 4.26Å; K941-I1227 HydrophobicContact CD-CG2 4.43Å; Y1223-I1227 PolarHBondContact O-N 2.9Å; V1224-I1227 HydrophobicContact CG2-CD1 4.12Å; V1224-I1227 PolarHBondContact O-N 3Å; I1227-I1233 HydrophobicContact CD1-CD1 3.79Å
1228N83.8Confident88.9Confident118 Ų11856.7 Ų56.763%0.63131%0.311SS*.  trans-86.8119.7167.6-61.721.4000105.3K941 T1230K941-N1228 PolarHBondContact NZ-OD1 3.39Å; N1228-T1230 PolarHBondContact O-N 3.15Å
1229I84.1Confident89Confident95 Ų9555.3 Ų55.349%0.48731%0.306SS..  trans-69.4107.6-179.7-62158.7000107.8I1233 A1234 P1237I1229-I1233 HydrophobicContact CG2-CG1 4.46Å; I1229-A1234 HydrophobicContact CG2-CB 4.38Å; I1229-P1237 HydrophobicContact CD1-CG 3.67Å; I1229-P1237 HydrophobicContact CG1-CG 4.23Å
1230T86.8Confident89Confident32 Ų3254.5 Ų54.520%0.19630%0.301CS..  trans-86.3159.7174.171.90000110.3N937 N1228 Q1232 I1233 A1234N937-T1230 VanDerWaalsContact OD1-CG2 3.31Å; N937-T1230 WeakPolarHBondContact OD1-CG2 3.41Å; N1228-T1230 PolarHBondContact O-N 3.15Å; T1230-Q1232 PolarHBondContact O-N 3.25Å; T1230-Q1232 VanDerWaalsContact O-N 3.1Å; T1230-Q1232 PolarHBondContact OG1-OE1 2.76Å; T1230-I1233 CarbonylContact O-C 3.59Å; T1230-I1233 WeakPolarHBondContact O-CG1 3.33Å; T1230-I1233 PolarHBondContact O-N 3.4Å; T1230-A1234 PolarHBondContact O-N 3.5Å
1231P85.2Confident88.9Confident114 Ų11459.3 Ų59.374%0.7432%0.324SS*.G310 helixtrans-55.7-30.3-179.3-27.736.4000114.3I1233P1231-I1233 VanDerWaalsContact C-N 3.33Å; P1231-I1233 PolarHBondContact O-N 3.15Å
1232Q85.8Confident89Confident90 Ų9059.5 Ų59.542%0.42133%0.325SS..G310 helixtrans-62.4-39.7176.8-59.481.34.400111.9K930 D933 T1230K930-Q1232 VanDerWaalsContact CD-O 3.27Å; K930-Q1232 WeakPolarHBondContact CD-O 3.21Å; K930-Q1232 VanDerWaalsContact CE-O 3.26Å; K930-Q1232 WeakPolarHBondContact CE-O 3.41Å; K930-Q1232 PolarHBondContact NZ-O 3.36Å; D933-Q1232 HydrophobicContact CB-CB 4.1Å; T1230-Q1232 PolarHBondContact O-N 3.25Å; T1230-Q1232 VanDerWaalsContact O-N 3.1Å; T1230-Q1232 PolarHBondContact OG1-OE1 2.76Å
1233I89.6Confident89.2Confident1 Ų155.8 Ų55.81%0.00531%0.308CS..G310 helixtrans-104.814.4-174.365.9177.3000113.5F926 D933 L934 N937 I1227 I1229 T1230 P1231 E1235 L1236F926-I1233 HydrophobicContact CZ-CB 4.13Å; F926-I1233 HydrophobicContact CZ-CG2 4.16Å; D933-I1233 HydrophobicContact CB-CG2 4.35Å; L934-I1233 HydrophobicContact CB-CG2 4.5Å; N937-I1233 HydrophobicContact CB-CD1 4.08Å; I1227-I1233 HydrophobicContact CD1-CD1 3.79Å; I1229-I1233 HydrophobicContact CG2-CG1 4.46Å; T1230-I1233 CarbonylContact O-C 3.59Å; T1230-I1233 WeakPolarHBondContact O-CG1 3.33Å; T1230-I1233 PolarHBondContact O-N 3.4Å; P1231-I1233 VanDerWaalsContact C-N 3.33Å; P1231-I1233 PolarHBondContact O-N 3.15Å; I1233-E1235 VanDerWaalsContact C-N 3.26Å; I1233-E1235 PolarHBondContact O-N 3.27Å; I1233-L1236 WeakPolarHBondContact O-CB 3.31Å; I1233-L1236 PolarHBondContact O-N 3.45Å; I1233-L1236 VanDerWaalsContact O-N 3.07Å
1234A88.9Confident89.2Confident49 Ų4957.1 Ų57.141%0.40532%0.318SS..THydrogen-bonded Turntrans-61.2-27.8-172.700000114.8I1229 T1230 L1236 P1237I1229-A1234 HydrophobicContact CG2-CB 4.38Å; T1230-A1234 PolarHBondContact O-N 3.5Å; A1234-L1236 VanDerWaalsContact C-N 3.34Å; A1234-P1237 WeakPolarHBondContact O-CD 3.45Å
1235E91.5Very high89.4Confident98 Ų9860.4 Ų60.446%0.45833%0.331SS..THydrogen-bonded Turntrans-73.4-21.9177.1-67.2143.4-145.100113.3F926 K930 I1233 D1238 L1239F926-E1235 HydrophobicContact CD2-CB 4.29Å; F926-E1235 HydrophobicContact CE2-CB 4.36Å; K930-E1235 IonicContact NZ-OE1 2.71Å; K930-E1235 PolarHBondContact NZ-OE1 3.03Å; K930-E1235 IonicContact NZ-OE2 3.82Å; K930-E1235 PolarHBondContact NZ-OE2 2.85Å; I1233-E1235 VanDerWaalsContact C-N 3.26Å; I1233-E1235 PolarHBondContact O-N 3.27Å; E1235-D1238 PolarHBondContact O-N 3.27Å; E1235-L1239 WeakPolarHBondContact O-CG 3.45Å; E1235-L1239 PolarHBondContact O-N 3.31Å; E1235-L1239 VanDerWaalsContact O-N 3.13Å
1236L93.2Very high89.7Confident1 Ų157.6 Ų57.61%0.00531%0.308CS..Hα-helixtrans-58.5-44.6-170.3178.262.7000114.2L923 F926 L934 L1220 V1224 I1233 A1234 D1238 L1239 L1240L923-L1236 HydrophobicContact CD1-CD1 4.34Å; F926-L1236 HydrophobicContact CD1-CD1 4.36Å; F926-L1236 HydrophobicContact CE1-CB 4.31Å; F926-L1236 HydrophobicContact CE1-CD1 4.07Å; F926-L1236 HydrophobicContact CE2-CB 4.11Å; F926-L1236 HydrophobicContact CZ-CB 3.81Å; F926-L1236 HydrophobicContact CZ-CD1 4.43Å; F926-L1236 HydrophobicContact CZ-CG 4.49Å; L934-L1236 HydrophobicContact CD1-CD2 3.63Å; L1220-L1236 HydrophobicContact CD1-CD1 4.12Å; V1224-L1236 HydrophobicContact CG2-CD2 3.64Å; V1224-L1236 HydrophobicContact CG2-CG 4.03Å; I1233-L1236 WeakPolarHBondContact O-CB 3.31Å; I1233-L1236 PolarHBondContact O-N 3.45Å; I1233-L1236 VanDerWaalsContact O-N 3.07Å; A1234-L1236 VanDerWaalsContact C-N 3.34Å; L1236-D1238 VanDerWaalsContact C-N 3.32Å; L1236-D1238 PolarHBondContact O-N 3.46Å; L1236-L1239 PolarHBondContact O-N 3.15Å; L1236-L1240 HydrophobicContact CD1-CD1 3.93Å; L1236-L1240 HydrophobicContact CD1-CD2 4.34Å; L1236-L1240 HydrophobicContact CD1-CG 3.91Å; L1236-L1240 HydrophobicContact CG-CD1 3.94Å; L1236-L1240 HydrophobicContact CG-CG 4.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 3.33Å; L1236-L1240 PolarHBondContact O-N 3.39Å
1237P92.7Very high89.9Confident34 Ų3455.9 Ų55.922%0.22130%0.303CS..Hα-helixtrans-60.5-40.7179.1-21.333.9000112.6V1224 I1229 A1234 L1240 Q1241V1224-P1237 HydrophobicContact CG1-CB 4.49Å; V1224-P1237 HydrophobicContact CG1-CG 4.25Å; I1229-P1237 HydrophobicContact CD1-CG 3.67Å; I1229-P1237 HydrophobicContact CG1-CG 4.23Å; A1234-P1237 WeakPolarHBondContact O-CD 3.45Å; P1237-L1240 PolarHBondContact O-N 2.92Å; P1237-Q1241 VanDerWaalsContact O-CB 3.29Å; P1237-Q1241 WeakPolarHBondContact O-CB 3.48Å; P1237-Q1241 PolarHBondContact O-N 3.4Å
1238D93Very high89.8Confident109 Ų10961.1 Ų61.158%0.58333%0.332SS*.Hα-helixtrans-67.3-41.1-179.8-62.2-24.2000111E1235 L1236 Q1241 N1242E1235-D1238 PolarHBondContact O-N 3.27Å; L1236-D1238 VanDerWaalsContact C-N 3.32Å; L1236-D1238 PolarHBondContact O-N 3.46Å; D1238-Q1241 PolarHBondContact O-N 2.93Å; D1238-N1242 WeakPolarHBondContact O-CB 3.21Å; D1238-N1242 PolarHBondContact O-N 2.85Å; D1238-N1242 PolarHBondContact O-ND2 3.37Å
1239L94.6Very high89.5Confident21 Ų2159.2 Ų59.211%0.1132%0.321CS..Hα-helixtrans-62-43.5175.2-65.5-177000112.3Q922 F926 E1235 L1236 I1243Q922-L1239 HydrophobicContact CB-CD2 3.55Å; Q922-L1239 HydrophobicContact CG-CD2 4.37Å; F926-L1239 HydrophobicContact CB-CD1 3.62Å; F926-L1239 HydrophobicContact CD2-CD1 3.99Å; F926-L1239 HydrophobicContact CG-CD1 3.93Å; E1235-L1239 WeakPolarHBondContact O-CG 3.45Å; E1235-L1239 PolarHBondContact O-N 3.31Å; E1235-L1239 VanDerWaalsContact O-N 3.13Å; L1236-L1239 PolarHBondContact O-N 3.15Å; L1239-I1243 WeakPolarHBondContact O-CD1 3.42Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.38Å; L1239-I1243 PolarHBondContact O-N 3.5Å
1240L93.7Very high88.1Confident1 Ų162.9 Ų62.91%0.00534%0.336CS..Hα-helixtrans-69.1-38.3177.7-65.6173.2000111.9T1217 L1220 N1221 V1224 L1236 P1237 I1243 S1244T1217-L1240 HydrophobicContact CG2-CD2 3.79Å; L1220-L1240 HydrophobicContact CB-CD1 3.9Å; L1220-L1240 HydrophobicContact CB-CD2 3.98Å; N1221-L1240 WeakPolarHBondContact OD1-CB 3.33Å; V1224-L1240 HydrophobicContact CB-CD1 4.34Å; V1224-L1240 HydrophobicContact CG2-CD1 3.64Å; L1236-L1240 HydrophobicContact CD1-CD1 3.93Å; L1236-L1240 HydrophobicContact CD1-CD2 4.34Å; L1236-L1240 HydrophobicContact CD1-CG 3.91Å; L1236-L1240 HydrophobicContact CG-CD1 3.94Å; L1236-L1240 HydrophobicContact CG-CG 4.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 3.33Å; L1236-L1240 PolarHBondContact O-N 3.39Å; P1237-L1240 PolarHBondContact O-N 2.92Å; L1240-I1243 PolarHBondContact O-N 3.49Å; L1240-S1244 PolarHBondContact O-N 3.27Å
1241Q92.1Very high86.3Confident101 Ų10166.5 Ų66.547%0.47236%0.359SS..Hα-helixtrans-61.9-46.2175.1179.359.530.900111P1237 D1238 I1243 S1244 E1245P1237-Q1241 VanDerWaalsContact O-CB 3.29Å; P1237-Q1241 WeakPolarHBondContact O-CB 3.48Å; P1237-Q1241 PolarHBondContact O-N 3.4Å; D1238-Q1241 PolarHBondContact O-N 2.93Å; Q1241-I1243 VanDerWaalsContact C-N 3.31Å; Q1241-I1243 PolarHBondContact O-N 3.43Å; Q1241-S1244 PolarHBondContact O-N 2.83Å; Q1241-S1244 VanDerWaalsContact O-N 3.16Å; Q1241-E1245 PolarHBondContact NE2-OE1 3.42Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.42Å; Q1241-E1245 PolarHBondContact O-N 3.36Å
1242N93.3Very high84.5Confident69 Ų6962.5 Ų62.537%0.36933%0.33SS..Hα-helixtrans-56-44.3174.6-70-21.6000111.9D1238 E1245 L1246D1238-N1242 WeakPolarHBondContact O-CB 3.21Å; D1238-N1242 PolarHBondContact O-N 2.85Å; D1238-N1242 PolarHBondContact O-ND2 3.37Å; N1242-E1245 PolarHBondContact O-N 2.84Å; N1242-L1246 WeakPolarHBondContact O-CG 3.4Å; N1242-L1246 PolarHBondContact O-N 3.46Å
1243I93.6Very high82.4Confident5 Ų564.5 Ų64.53%0.02635%0.348CS..Hα-helixtrans-66.9-41.2177.9-65.4162.9000111.2L915 Y920 L923 T1217 L1239 L1240 Q1241 E1245 L1246 L1247L915-I1243 HydrophobicContact CD1-CG2 3.99Å; Y920-I1243 HydrophobicContact CD1-CD1 4.01Å; Y920-I1243 HydrophobicContact CD1-CG1 4.48Å; Y920-I1243 HydrophobicContact CD1-CG2 4.49Å; Y920-I1243 HydrophobicContact CE1-CD1 4.45Å; Y920-I1243 HydrophobicContact CE1-CG2 3.93Å; L923-I1243 HydrophobicContact CB-CD1 4.09Å; L923-I1243 HydrophobicContact CD2-CD1 3.94Å; T1217-I1243 HydrophobicContact CG2-CB 4.23Å; T1217-I1243 HydrophobicContact CG2-CD1 4.33Å; T1217-I1243 HydrophobicContact CG2-CG2 3.71Å; L1239-I1243 WeakPolarHBondContact O-CD1 3.42Å; L1239-I1243 WeakPolarHBondContact O-CG1 3.38Å; L1239-I1243 PolarHBondContact O-N 3.5Å; L1240-I1243 PolarHBondContact O-N 3.49Å; Q1241-I1243 VanDerWaalsContact C-N 3.31Å; Q1241-I1243 PolarHBondContact O-N 3.43Å; I1243-E1245 VanDerWaalsContact C-N 3.33Å; I1243-E1245 PolarHBondContact O-N 3.06Å; I1243-L1246 PolarHBondContact O-N 2.72Å; I1243-L1247 HydrophobicContact CG2-CD1 4.23Å; I1243-L1247 WeakPolarHBondContact O-CG 3.38Å; I1243-L1247 PolarHBondContact O-N 3.49Å
1244S90.8Very high79.9Confident32 Ų3268.5 Ų68.522%0.22438%0.376CS..Hα-helixtrans-64.2-34.3174.5-84.60000113.1L1240 Q1241 L1247 N1248L1240-S1244 PolarHBondContact O-N 3.27Å; Q1241-S1244 PolarHBondContact O-N 2.83Å; Q1241-S1244 VanDerWaalsContact O-N 3.16Å; S1244-L1247 PolarHBondContact O-N 3.37Å; S1244-N1248 WeakPolarHBondContact O-CB 3.49Å; S1244-N1248 VanDerWaalsContact O-CG 3.28Å; S1244-N1248 PolarHBondContact O-N 2.72Å; S1244-N1248 PolarHBondContact O-ND2 3.04Å
1245E91.4Very high77.2Confident93 Ų9371.7 Ų71.744%0.43538%0.378SS..Hα-helixtrans-67.1-43.6172.6-74177-162.400111.8Q1241 N1242 I1243 L1247 N1248 N1249Q1241-E1245 PolarHBondContact NE2-OE1 3.42Å; Q1241-E1245 WeakPolarHBondContact O-CG 3.42Å; Q1241-E1245 PolarHBondContact O-N 3.36Å; N1242-E1245 PolarHBondContact O-N 2.84Å; I1243-E1245 VanDerWaalsContact C-N 3.33Å; I1243-E1245 PolarHBondContact O-N 3.06Å; E1245-L1247 VanDerWaalsContact C-N 3.32Å; E1245-L1247 PolarHBondContact O-N 3.32Å; E1245-N1248 PolarHBondContact O-N 2.84Å; E1245-N1249 WeakPolarHBondContact O-CB 3.28Å; E1245-N1249 PolarHBondContact O-N 3.39Å; E1245-N1249 PolarHBondContact O-ND2 3.1Å
1246L90Very high74.4Confident41 Ų4172.9 Ų72.922%0.21539%0.388CS..Hα-helixtrans-60-39.3173.6-69.4173.8000112.5L915 C919 N1242 I1243 N1249 F1252L915-L1246 HydrophobicContact CD1-CB 3.66Å; L915-L1246 HydrophobicContact CD1-CD1 4.23Å; L915-L1246 HydrophobicContact CD2-CB 4.39Å; C919-L1246 HydrophobicContact CB-CD1 4.07Å; N1242-L1246 WeakPolarHBondContact O-CG 3.4Å; N1242-L1246 PolarHBondContact O-N 3.46Å; I1243-L1246 PolarHBondContact O-N 2.72Å; L1246-N1249 PolarHBondContact O-N 3.44Å; L1246-F1252 HydrophobicContact CD2-CE2 4.02Å; L1246-F1252 HydrophobicContact CD2-CZ 4.01Å
1247L87.9Confident71.7Confident53 Ų5380.2 Ų80.228%0.27742%0.421SS..Hα-helixtrans-65.8-38174.7-74.8167.5000113D913 L915 I1243 S1244 E1245D913-L1247 HydrophobicContact CB-CD2 3.84Å; L915-L1247 HydrophobicContact CD1-CD2 4.39Å; L915-L1247 HydrophobicContact CD1-CG 4.18Å; L915-L1247 HydrophobicContact CD2-CD2 3.84Å; L915-L1247 HydrophobicContact CD2-CG 4.27Å; L915-L1247 HydrophobicContact CG-CD2 3.81Å; L915-L1247 HydrophobicContact CG-CG 4.15Å; I1243-L1247 HydrophobicContact CG2-CD1 4.23Å; I1243-L1247 WeakPolarHBondContact O-CG 3.38Å; I1243-L1247 PolarHBondContact O-N 3.49Å; S1244-L1247 PolarHBondContact O-N 3.37Å; E1245-L1247 VanDerWaalsContact C-N 3.32Å; E1245-L1247 PolarHBondContact O-N 3.32Å
1248N84.7Confident68.9Low127 Ų12785.6 Ų85.668%0.67944%0.441SS*.Hα-helixtrans-76.5-21.5179.5-73.9-40.3000113.4S1244 E1245 Q1250S1244-N1248 WeakPolarHBondContact O-CB 3.49Å; S1244-N1248 VanDerWaalsContact O-CG 3.28Å; S1244-N1248 PolarHBondContact O-N 2.72Å; S1244-N1248 PolarHBondContact O-ND2 3.04Å; E1245-N1248 PolarHBondContact O-N 2.84Å; N1248-Q1250 PolarHBondContact O-N 2.92Å
1249N77.4Confident66Low78 Ų7885.7 Ų85.742%0.41744%0.442SS..  trans-73.189.1179.5-76.6-32.8000111.7E1245 L1246 T1251 F1252E1245-N1249 WeakPolarHBondContact O-CB 3.28Å; E1245-N1249 PolarHBondContact O-N 3.39Å; E1245-N1249 PolarHBondContact O-ND2 3.1Å; L1246-N1249 PolarHBondContact O-N 3.44Å; N1249-T1251 PolarHBondContact O-N 3.24Å; N1249-F1252 HydrophobicContact CB-CD2 4.39Å; N1249-F1252 PolarHBondContact O-N 3.3Å
1250Q53.5Low62.9Low171 Ų17190.5 Ų90.580%0.79946%0.464SS*.G310 helixtrans-56-9.2176.6-64.7-175.8-200114.9N1248 F1252 T1253N1248-Q1250 PolarHBondContact O-N 2.92Å; Q1250-F1252 PolarHBondContact O-N 2.94Å; Q1250-T1253 PolarHBondContact O-N 3.14Å; Q1250-T1253 PolarHBondContact O-OG1 2.93Å
1251T49.2Very low60Low109 Ų10995.5 Ų95.567%0.66949%0.494SS*.G310 helixtrans-64.2-11.7175.2500000114.5N1249 T1253N1249-T1251 PolarHBondContact O-N 3.24Å; T1251-T1253 VanDerWaalsContact C-N 3.26Å; T1251-T1253 PolarHBondContact O-N 3.13Å
1252F46.6Very low57.1Low29 Ų2993.2 Ų93.213%0.12749%0.49CS..G310 helixtrans-73.2-9.7176.9-85.6-104.2000114.6L1246 N1249 Q1250 S1254 W1255L1246-F1252 HydrophobicContact CD2-CE2 4.02Å; L1246-F1252 HydrophobicContact CD2-CZ 4.01Å; N1249-F1252 HydrophobicContact CB-CD2 4.39Å; N1249-F1252 PolarHBondContact O-N 3.3Å; Q1250-F1252 PolarHBondContact O-N 2.94Å; F1252-S1254 PolarHBondContact O-N 3.25Å; F1252-W1255 AromaticContact CD1-CD1 3.66Å; F1252-W1255 AromaticContact CD1-CE2 3.89Å; F1252-W1255 HydrophobicContact CD1-CZ2 4.4Å; F1252-W1255 AromaticContact CD1-NE1 3.05Å; F1252-W1255 AromaticContact CE1-CE2 3.63Å; F1252-W1255 AromaticContact CE1-CZ2 3.71Å; F1252-W1255 HydrophobicContact CE1-CZ2 3.71Å; F1252-W1255 AromaticContact CE1-NE1 3.11Å; F1252-W1255 AromaticContact CG-NE1 3.89Å; F1252-W1255 HydrophobicContact CZ-CZ2 4.49Å; F1252-W1255 AromaticContact CZ-NE1 3.97Å
1253T43.3Very low54.1Low133 Ų13397 Ų9782%0.81650%0.503SS*.G310 helixtrans-65.8-6.317660.70000114.5Q1250 T1251Q1250-T1253 PolarHBondContact O-N 3.14Å; Q1250-T1253 PolarHBondContact O-OG1 2.93Å; T1251-T1253 VanDerWaalsContact C-N 3.26Å; T1251-T1253 PolarHBondContact O-N 3.13Å
1254S36.4Very low51Low85 Ų85103.6 Ų103.659%0.59453%0.534SS*.G310 helixtrans-136.870.5174.562.70000111.4F1252 D1256F1252-S1254 PolarHBondContact O-N 3.25Å; S1254-D1256 PolarHBondContact O-N 3.02Å
1255W31.7Very low48Very low115 Ų115112 Ų11244%0.43656%0.561SS.*  trans-7177.8159.2-96.150000110.1F1252 H1257F1252-W1255 AromaticContact CD1-CD1 3.66Å; F1252-W1255 AromaticContact CD1-CE2 3.89Å; F1252-W1255 HydrophobicContact CD1-CZ2 4.4Å; F1252-W1255 AromaticContact CD1-NE1 3.05Å; F1252-W1255 AromaticContact CE1-CE2 3.63Å; F1252-W1255 AromaticContact CE1-CZ2 3.71Å; F1252-W1255 HydrophobicContact CE1-CZ2 3.71Å; F1252-W1255 AromaticContact CE1-NE1 3.11Å; F1252-W1255 AromaticContact CG-NE1 3.89Å; F1252-W1255 HydrophobicContact CZ-CZ2 4.49Å; F1252-W1255 AromaticContact CZ-NE1 3.97Å; W1255-H1257 PolarHBondContact O-N 3.31Å
1256D32.9Very low45Very low124 Ų124114.4 Ų114.466%0.66358%0.577SS**  trans-61.5124.4157.7-93.1-25.5000108S1254 K1258 N1259S1254-D1256 PolarHBondContact O-N 3.02Å; D1256-K1258 PolarHBondContact O-N 3.31Å; D1256-N1259 PolarHBondContact O-N 2.81Å
1257H37.3Very low42Very low154 Ų154117.9 Ų117.971%0.71360%0.6SS**THydrogen-bonded Turntrans-57.63.2-175.2-69.8-78.5000116.2W1255W1255-H1257 PolarHBondContact O-N 3.31Å
1258K34.3Very low39.1Very low147 Ų147122.5 Ų122.564%0.63963%0.625SS**THydrogen-bonded Turntrans-74.9-26177.1-68.6-177.4177.2178.20113.7D1256 T1261D1256-K1258 PolarHBondContact O-N 3.31Å; K1258-T1261 PolarHBondContact O-OG1 3.37Å
1259N31.4Very low36.2Very low111 Ų111122.4 Ų122.459%0.59463%0.634SS**THydrogen-bonded Turntrans-84.5-4.9-174.1-74.4-10.8000115.2D1256 T1261 S1262D1256-N1259 PolarHBondContact O-N 2.81Å; N1259-T1261 PolarHBondContact O-N 2.87Å; N1259-S1262 PolarHBondContact O-N 3.21Å; N1259-S1262 PolarHBondContact O-OG 3.29Å; N1259-S1262 VanDerWaalsContact O-OG 3.07Å
1260Q30.2Very low33.6Very low123 Ų123125.8 Ų125.858%0.57565%0.652SS**Hα-helixtrans-56.9-31.6172.6-100.9174.2-19.600112.5S1262Q1260-S1262 PolarHBondContact O-N 3.11Å
1261T32.9Very low32.1Very low105 Ų105123 Ų12364%0.64465%0.651SS**Hα-helixtrans-83.4-5.2-176.763.50000115.4K1258 N1259K1258-T1261 PolarHBondContact O-OG1 3.37Å; N1259-T1261 PolarHBondContact O-N 2.87Å
1262S29.8Very low31Very low54 Ų54126.4 Ų126.438%0.37866%0.659SS.*Hα-helixtrans-108.7-16.6-177.248.10000114.4N1259 Q1260N1259-S1262 PolarHBondContact O-N 3.21Å; N1259-S1262 PolarHBondContact O-OG 3.29Å; N1259-S1262 VanDerWaalsContact O-OG 3.07Å; Q1260-S1262 PolarHBondContact O-N 3.11Å
1263F30.6Very low29.9Very low147 Ų147130.1 Ų130.165%0.64569%0.689SS**Hα-helixtrans-72.6-39.4177.3-125.2-87.7000112.9R1265 N1266F1263-R1265 PolarHBondContact O-N 3.01Å; F1263-R1265 VanDerWaalsContact O-N 3.08Å; F1263-N1266 PolarHBondContact O-N 3.32Å
1264E27.9Very low28.9Very low145 Ų145129 Ų12968%0.67869%0.687SS**THydrogen-bonded Turntrans-61.5-17.6177.3-66-176155.100114
1265R28.5Very low28.4Very low207 Ų207136.8 Ų136.878%0.78170%0.703SS**THydrogen-bonded Turntrans-103.6-5.4-172.1-132.3-175.3-70.3-172.7-2115.6F1263F1263-R1265 PolarHBondContact O-N 3.01Å; F1263-R1265 VanDerWaalsContact O-N 3.08Å
1266N29.3Very low28.2Very low144 Ų144137 Ų13777%0.7772%0.722SS**SBendtrans-111.31.6-177.6-86.5-4.8000115F1263 N1268F1263-N1266 PolarHBondContact O-N 3.32Å; N1266-N1268 PolarHBondContact O-N 3.46Å
1267T26.7Very low27.9Very low114 Ų114134.2 Ų134.270%0.69972%0.723SS**  trans-81.258.6166.354.80000111.3
1268N26.3Very low27.2Very low151 Ų151134.6 Ų134.681%0.80773%0.728SS**  trans-13792.9165.7-107.9-25.3000108.3N1266 N1270N1266-N1268 PolarHBondContact O-N 3.46Å; N1268-N1270 PolarHBondContact O-N 2.66Å; N1268-N1270 VanDerWaalsContact O-N 3.16Å
1269S22.9Very low26.9Very low124 Ų124133.1 Ų133.187%0.86773%0.733SS**  trans-70.2103.4-178.135.90000111
1270N24.8Very low26.6Very low150 Ų150138.5 Ų138.580%0.80275%0.745SS**  trans-114.5111.5165.6-137.77.4000109.7N1268 H1272N1268-N1270 PolarHBondContact O-N 2.66Å; N1268-N1270 VanDerWaalsContact O-N 3.16Å; N1270-H1272 PolarHBondContact O-N 3.47Å
1271S20.3Very low26.2Very low111 Ų111141.2 Ų141.278%0.77676%0.758SS**  trans-85.394-16739.80000112.6
1272H27.2Very low26Very low181 Ų181144.1 Ų144.184%0.83876%0.764SS**  trans-122.3126.2164.2-76.9-33.7000113.1N1270N1270-H1272 PolarHBondContact O-N 3.47Å
1273S22.4Very low25.7Very low108 Ų108146.4 Ų146.476%0.75578%0.78SS**  trans-77.6157.7-170.31800000113.3
1274S23.2Very low25.4Very low109 Ų109147.6 Ų147.676%0.76279%0.792SS**  trans69.885.8152.9-61.80000119
1275R26.3Very low25.4Very low248 Ų248144.9 Ų144.994%0.93679%0.794SS**  -154.9123.3124.1-135.2170.9179.3171.1-0.7113.8G1277R1275-G1277 PolarHBondContact O-N 3.42Å
1276S26Very low25.2Very low121 Ų121142.2 Ų142.285%0.84680%0.795SS**  trans-65.8111.8170.454.60000110.9
1277G27Very low24.9Very low65 Ų65141.3 Ų141.367%0.6779%0.791SS**  trans-119.8104.5170.500000110.2R1275 P1279R1275-G1277 PolarHBondContact O-N 3.42Å; G1277-P1279 WeakPolarHBondContact O-CD 3.43Å
1278I23.5Very low24.8Very low162 Ų162143.8 Ų143.883%0.83180%0.8SS**PPolyproline II helixtrans-65.1116.6176.5-61.7169.6000108.6R1280I1278-R1280 PolarHBondContact O-N 3.24Å
1279P27.1Very low24.5Very low115 Ų115141.8 Ų141.875%0.74780%0.797SS**PPolyproline II helixtrans-70.1129.3178.4-17.332.7000110.4G1277 H1281G1277-P1279 WeakPolarHBondContact O-CD 3.43Å; P1279-H1281 PolarHBondContact O-N 3.24Å
1280R24.8Very low24.5Very low224 Ų224143.7 Ų143.785%0.84580%0.796SS**PPolyproline II helixtrans-72.9121.9-179-72.6177.9174159.1-2.4111.1I1278 H1282I1278-R1280 PolarHBondContact O-N 3.24Å; R1280-H1282 PolarHBondContact O-N 2.69Å
1281H22.8Very low24.3Very low181 Ų181140.9 Ų140.984%0.83879%0.788SS**PPolyproline II helixtrans-60.5117.1158.5-83.7-105.3000110P1279P1279-H1281 PolarHBondContact O-N 3.24Å
1282H27.5Very low24.4Very low165 Ų165141.9 Ų141.976%0.76479%0.789SS**  trans-119.274.2155.1-84.4-68.4000109.3R1280 L1284R1280-H1282 PolarHBondContact O-N 2.69Å; H1282-L1284 PolarHBondContact O-N 3.16Å
1283S23.8Very low24.2Very low102 Ų102139 Ų13971%0.71378%0.784SS**  trans-73.4112.6162.3176.50000108.6A1285S1283-A1285 PolarHBondContact O-N 3.49Å
1284L25.4Very low24.2Very low172 Ų172141.1 Ų141.190%0.90179%0.787SS**  trans-89.185.9167-86.6156.4000108.3H1282H1282-L1284 PolarHBondContact O-N 3.16Å
1285A27.5Very low24.2Very low88 Ų88142 Ų14273%0.72778%0.783SS**PPolyproline II helixtrans-67.7130.7171.200000110.2S1283S1283-A1285 PolarHBondContact O-N 3.49Å
1286N25Very low24Very low151 Ų151140.7 Ų140.781%0.80778%0.779SS**PPolyproline II helixtrans-89.6156.1-179.5-157.50.8000111.7
1287N22.8Very low23.7Very low125 Ų125146.7 Ų146.767%0.66878%0.782SS**PPolyproline II helixtrans-70.9144.2-161.5-58.1-82.6000114.8
1288N24Very low24.3Very low167 Ų167149.1 Ų149.189%0.89379%0.787SS**  trans-143.3118.5149.1-104.6-27.9000108.8
1289S20.1Very low24.2Very low108 Ų108147 Ų14776%0.75579%0.786SS**  trans-112.9101.3-167.9-59.70000112.6
1290I22.1Very low23.9Very low164 Ų164150.5 Ų150.584%0.84179%0.792SS**  trans-150.7133.2164.5-60.6-177.1000106.3
1291S21.6Very low23.8Very low92 Ų92144.8 Ų144.864%0.64379%0.794SS**  cis-169.7143.7-21.756.70000108.7
1292V21.4Very low23.8Very low131 Ų131141.8 Ų141.879%0.79479%0.788SS**  trans61.3107.6145.8177.20000118.5
1293V23.9Very low23.5Very low121 Ų121139.6 Ų139.673%0.73379%0.786SS**  -175.8126.2101.5163.60000108.6
1294D21.7Very low23.6Very low153 Ų153143.1 Ų143.182%0.81880%0.795SS**  trans-65.6141.6168.8-74.6-74000113.1
1295N23Very low23.4Very low127 Ų127142.1 Ų142.168%0.67979%0.789SS**  trans-149.5103.3145.5-102.2-43.5000113.4
1296R22.7Very low23.1Very low221 Ų221147.2 Ų147.283%0.83480%0.795SS**  trans54.3111.5134.6-57.6176.8-170-144-3.1119.2
1297R20.6Very low23Very low246 Ų246145.9 Ų145.993%0.92880%0.795SS**  24.5154.1121.4-95.6-156.4164.5173.3-4.1120.9
1298P40.2Very low22.8Very low117 Ų117145 Ų14576%0.7680%0.799SS**  -105.1164.4-129.340.6-36.7000114
1299S21Very low22.7Very low118 Ų118145.7 Ų145.783%0.82580%0.801SS**  trans-152.5144.2156.240.80000112.1
1300E19.3Very low22.8Very low187 Ų187146.3 Ų146.387%0.87480%0.801SS**  trans-47.7139.7176.2-63.8142.4162.600114.3
1301A24.4Very low22.7Very low105 Ų105148 Ų14887%0.86880%0.802SS**  trans-131.693.1164.300000109.5
1302T21.5Very low22.7Very low118 Ų118151.6 Ų151.672%0.72481%0.813SS**  trans-72.9148.7179.3-48.80000111.5
1303T20.7Very low22.7Very low118 Ų118152.8 Ų152.872%0.72481%0.809SS**  trans59.8107.6162.5340000119.3
1304I26.3Very low22.6Very low176 Ų176154.2 Ų154.290%0.90381%0.808SS**  trans-125.2139.3136.2-64.1-175.8000108.4
1305I22.1Very low22.6Very low151 Ų151151.9 Ų151.977%0.77480%0.799SS**  trans-84.4141.5-159.8-66.3157.4000112.2
1306K20.9Very low22.5Very low195 Ų195151.7 Ų151.785%0.84880%0.798SS**  trans-106.6142.7160.3-85.7-175.7174.7179.50109.9
1307P22.8Very low22.6Very low124 Ų124152 Ų15281%0.80580%0.8SS**  trans-77.4154.8-179.732.6-35.3000112.4
1308S18.7Very low22.6Very low107 Ų107148.8 Ų148.875%0.74879%0.792SS**  trans-81.6136.8177.435.70000112.5
1309L21.8Very low21.6Very low181 Ų181150.8 Ų150.895%0.94880%0.795SS**  trans-134.7124.5151.4-14682.8000108.2
1310T21.6Very low22Very low121 Ų121150.4 Ų150.474%0.74279%0.793SS**  trans-111.9157.6-173.145.10000111.9
1311K20.9Very low22.4Very low199 Ų199145.5 Ų145.587%0.86578%0.777SS**  trans91.197169.8-57.7-175.5175.2-176.50117.7
1312L20.9Very low22.1Very low168 Ų168148.7 Ų148.788%0.8877%0.774SS**  -164.8114116-90.5167.2000103.8
1313H21.4Very low22Very low155 Ų155147.3 Ų147.372%0.71878%0.775SS**  37125.391.1-98-122.4000112.5
1314E22.1Very low22Very low152 Ų152146.7 Ų146.771%0.7178%0.775SS**  cis-166.8168.123.7-146.1168.3133.100113.7
1315V22.8Very low21.7Very low103 Ų103145.2 Ų145.262%0.62477%0.768SS**  trans62.8104.6161.7-162.90000120.8
1316D20.4Very low21.6Very low123 Ų123144.8 Ų144.866%0.65877%0.767SS**  trans-13.4129.9142.5-67.9-82.4000120.6
1317R23.6Very low21.6Very low229 Ų229142.3 Ų142.386%0.86477%0.768SS**  -168.9103.6116.2-106.4168.5-96-151.2-2.4109.2
1318K20.4Very low21.4Very low177 Ų177144.5 Ų144.577%0.7777%0.765SS**  37.695.991.2-73.4-172.2179.5177.70113.5
1319L20.9Very low21.4Very low159 Ų159144.4 Ų144.483%0.83276%0.76SS**  171.1103.8128-91.6149.4000109.8P1321L1319-P1321 HydrophobicContact CD2-CG 4.5Å
1320S28.2Very low21.4Very low111 Ų111143 Ų14378%0.77675%0.752SS**  trans-73.9139.7132.2-173.10000105.6
1321P28.8Very low21.2Very low84 Ų84147.7 Ų147.755%0.54576%0.756SS.*  -142.8155.3101.140.3-24.7000112.5L1319L1319-P1321 HydrophobicContact CD2-CG 4.5Å
1322E18.1Very low21.1Very low172 Ų172144 Ų14480%0.80475%0.745SS**  51.2106.4108.9-47.7174.415400112.8
1323A19.3Very low21.1Very low89 Ų89143.8 Ų143.874%0.73674%0.74SS**  67.6140.987.700000114.2
1324S20.3Very low21Very low105 Ų105144.1 Ų144.173%0.73474%0.742SS**  trans100.6118.7163.4-48.80000118.2
1325I19.1Very low20.9Very low144 Ų144144.6 Ų144.674%0.73874%0.744SS**  79.5112.5128.4-66.2171.3000118.3
1326N20Very low21.7Very low143 Ų143144 Ų14477%0.76574%0.743SS**  trans41.5136.2138.3-57.7-25.9000120.5
1327V21Very low21.7Very low142 Ų142144.4 Ų144.486%0.86175%0.745SS**  -163152.594.8142.50000111.5
1328K19.1Very low21.5Very low170 Ų170139.3 Ų139.374%0.73974%0.735SS**  trans-84.6144.3177.3-74.8172.7174.4173.10111.5
1329T18.6Very low21.6Very low106 Ų106137.9 Ų137.965%0.6574%0.735SS**  trans54.5126.4141.8-40.70000119.7
1330I21.1Very low21.6Very low152 Ų152134.1 Ų134.178%0.77973%0.727SS**  171.1113.1121.4-87162.3000110.8
1331R18.6Very low21.3Very low219 Ų219135.2 Ų135.283%0.82673%0.73SS**  50.2138.7127-128.2-169.9-170.9153.12.3122.8
1332N19.4Very low21Very low120 Ų120136.5 Ų136.564%0.64274%0.74SS**  trans88.7131.6146.7-75.7-7000122.5
1333Q19.8Very low21.1Very low164 Ų164132.7 Ų132.777%0.76674%0.738SS**  trans73116.3140-68.7168.54.300122.2
1334Q19.1Very low21.1Very low162 Ų162135.9 Ų135.976%0.75774%0.743SS**  25.8136.6127.9-88.1171.1-66.700122.8
1335E19.4Very low21.2Very low162 Ų162136 Ų13676%0.75774%0.744SS**  trans65167.9141.9-84.8176.7-137.800119.6
1336P39.6Very low21.4Very low92 Ų92137.4 Ų137.460%0.59775%0.753SS**  cis-127.8-154.1-18.728.1-5.2000112
1337N20.4Very low21.5Very low131 Ų131139.3 Ų139.370%0.70176%0.757SS**  trans88.5138.6163.1-55.4-25.7000116.9
1338N21.2Very low21.4Very low122 Ų122137.6 Ų137.665%0.65275%0.75SS**  cis-164.4162-5.1-116.7-17.5000113.1
1339N22.6Very low21.6Very low147 Ų147137.8 Ų137.879%0.78676%0.757SS**  trans71.9153158.1-54.2-17.4000120
1340A20.3Very low21.7Very low80 Ų80137 Ų13766%0.66176%0.756SS**  cis-175.2139.7-29.600000111.3
1341T20.6Very low21.7Very low134 Ų134135.2 Ų135.282%0.82276%0.757SS**  trans74.5148.8146.5-46.60000122.2
1342S22.4Very low22Very low110 Ų110131.3 Ų131.377%0.76976%0.758SS**  trans71.6115.5175.765.70000116.1
1343A21.5Very low22.2Very low92 Ų92136.2 Ų136.276%0.7677%0.768SS**  cis99.111633.500000113.6
1344D19.8Very low22.4Very low156 Ų156137 Ų13783%0.83477%0.771SS**  trans34.9102.6159.7-57.2-21.4000120.3
1345S21.1Very low22.6Very low109 Ų109137.9 Ų137.976%0.76278%0.775SS**  170.2124.2103.843.20000111.6
1346N24Very low23Very low172 Ų172139.1 Ų139.192%0.9278%0.778SS**  trans169.995.6143.4-90.4-42.1000109.4
1347E21.1Very low22.3Very low184 Ų184138.6 Ų138.686%0.8678%0.777SS**  trans-105.1143.2171.3-170.3174.8-142.400109.3
1348C19Very low22.4Very low105 Ų105143.2 Ų143.271%0.70979%0.785SS**  trans58.6119.8173.2-79.50000119.5
1349I23.3Very low22.7Very low174 Ų174143.8 Ų143.889%0.89279%0.788SS**  -152.1153.697.3-97.1158.5000110.3
1350S21.9Very low23Very low90 Ų90142.2 Ų142.263%0.62978%0.784SS**  trans-92.1143.1-158-34.30000115.4
1351S20.7Very low23.2Very low114 Ų114147.6 Ų147.680%0.79779%0.792SS**  trans41.794.3137.263.50000119.7
1352T25.1Very low23.5Very low138 Ų138148.2 Ų148.285%0.84779%0.789SS**  trans-94.4127.6147.240.60000110Q1354T1352-Q1354 PolarHBondContact O-N 3Å
1353R23.2Very low23.7Very low222 Ų222149 Ų14984%0.83878%0.783SS**  trans-83.4101.3-174-175.5-177.3-175.9-166.8-0.7109.8E1355R1353-E1355 PolarHBondContact O-N 3.45Å
1354Q24Very low23.9Very low180 Ų180153.6 Ų153.684%0.84179%0.789SS**  trans-67.8116.5170.5-74.8179.3-2500110.2T1352T1352-Q1354 PolarHBondContact O-N 3Å
1355E22.5Very low24.1Very low181 Ų181155.4 Ų155.485%0.84679%0.79SS**  trans-72.4130.5164-67.6-172.3141.300109R1353R1353-E1355 PolarHBondContact O-N 3.45Å
1356K28.5Very low24.2Very low188 Ų188159 Ų15982%0.81779%0.794SS**  trans-88.1112.4178.9-67.8-179.6177.4-176.50108.4
1357S25.2Very low24.4Very low82 Ų82162 Ų16257%0.57379%0.794SS**  trans-57.2146.3163.6130.80000109.4D1359S1357-D1359 VanDerWaalsContact C-N 3.31Å; S1357-D1359 WeakPolarHBondContact CB-OD2 3.2Å; S1357-D1359 WeakPolarHBondContact OG-CB 3.2Å; S1357-D1359 PolarHBondContact OG-N 3.41Å; S1357-D1359 PolarHBondContact OG-OD2 3.03Å
1358W23.1Very low24.7Very low228 Ų228160.8 Ų160.886%0.86479%0.793SS**SBendtrans-90.57.2-178.5-85.284.2000113T1360W1358-T1360 VanDerWaalsContact C-N 3.27Å; W1358-T1360 PolarHBondContact O-N 3.4Å
1359D26.3Very low25.1Very low134 Ų134161.5 Ų161.572%0.71780%0.796SS**THydrogen-bonded Turntrans-86.638.5-163.9-51.2-59.4000113.9S1357S1357-D1359 VanDerWaalsContact C-N 3.31Å; S1357-D1359 WeakPolarHBondContact CB-OD2 3.2Å; S1357-D1359 WeakPolarHBondContact OG-CB 3.2Å; S1357-D1359 PolarHBondContact OG-N 3.41Å; S1357-D1359 PolarHBondContact OG-OD2 3.03Å
1360T28.6Very low25.1Very low114 Ų114158.3 Ų158.370%0.69979%0.788SS**THydrogen-bonded Turntrans-145.33.7179.3-40.10000115.5W1358W1358-T1360 VanDerWaalsContact C-N 3.27Å; W1358-T1360 PolarHBondContact O-N 3.4Å
1361F24.4Very low25.3Very low192 Ų192163.7 Ų163.784%0.84280%0.8SS**SBendtrans-120.77.2-176.9-94.7-79.7000117.4
1362I27Very low25.8Very low148 Ų148167.5 Ų167.576%0.75980%0.803SS**  trans-123.760.5176.1-44.1-176.4000111.7
1363I27.1Very low26Very low125 Ų125167.6 Ų167.664%0.64180%0.798SS**SBendtrans-125.44174.3-63.8-177.8000112.9
1364Q25Very low26.5Very low190 Ų190161.8 Ų161.889%0.88879%0.792SS**SBendtrans-124.95.2-174.8-71.2-160.7-15.500118.1
1365K24.2Very low26.8Very low193 Ų193157.3 Ų157.384%0.83978%0.777SS**SBendtrans-15083.2170.2-73.7-170178.5179.10112.6
1366E24.5Very low27.2Very low185 Ų185155 Ų15586%0.86477%0.77SS**  trans-179.673.6147.6-104.2168.2-161.500111.7
1367Y27.6Very low27.4Very low234 Ų234152 Ų15292%0.91876%0.761SS**  trans-130.977.3162.1-83.1-80000109
1368L27.6Very low27.8Very low160 Ų160152.8 Ų152.884%0.83876%0.757SS**  trans-111.1117.5167.1-88.7162.6000107.9C1370L1368-C1370 PolarHBondContact O-N 2.9Å
1369P27.2Very low28.2Very low119 Ų119150.8 Ų150.877%0.77376%0.755SS**  trans-66.3121.4-17625.4-33000110.7K1371P1369-K1371 PolarHBondContact O-N 3.12Å
1370C23.6Very low28.6Very low107 Ų107153.4 Ų153.472%0.72376%0.76SS**  trans-63.1116.6-178.4-58.10000111L1368 F1372L1368-C1370 PolarHBondContact O-N 2.9Å; C1370-F1372 WeakPolarHBondContact O-CD2 3.47Å; C1370-F1372 PolarHBondContact O-N 3.39Å; C1370-F1372 VanDerWaalsContact O-N 3.11Å
1371K26.5Very low28.7Very low204 Ų204154.5 Ų154.589%0.88776%0.757SS**  trans-68.4106.9167.1-71.5-177176.5-179.70108.9P1369 N1373P1369-K1371 PolarHBondContact O-N 3.12Å; K1371-N1373 PolarHBondContact O-N 2.91Å
1372F30.9Very low29Very low193 Ų193150.4 Ų150.485%0.84674%0.743SS**  trans-63.7124.4175.4-77-93.8000110.8C1370 S1374C1370-F1372 WeakPolarHBondContact O-CD2 3.47Å; C1370-F1372 PolarHBondContact O-N 3.39Å; C1370-F1372 VanDerWaalsContact O-N 3.11Å; F1372-S1374 PolarHBondContact O-N 3.03Å
1373N29.5Very low29.5Very low141 Ų141151 Ų15175%0.75474%0.742SS**  trans-71.1116.9168-82.5-21.8000109.1K1371 T1375K1371-N1373 PolarHBondContact O-N 2.91Å; N1373-T1375 PolarHBondContact O-N 3.19Å; N1373-T1375 VanDerWaalsContact O-N 3.11Å
1374S32.9Very low30Very low100 Ų100151.1 Ų151.170%0.69974%0.743SS**THydrogen-bonded Turntrans-743.1-17048.80000115.6F1372F1372-S1374 PolarHBondContact O-N 3.03Å
1375T30.3Very low30.7Very low85 Ų85148 Ų14852%0.52173%0.733SS.*THydrogen-bonded Turntrans-78.1-39.1-17742.60000113.9N1373 M1377 I1378N1373-T1375 PolarHBondContact O-N 3.19Å; N1373-T1375 VanDerWaalsContact O-N 3.11Å; T1375-M1377 VanDerWaalsContact C-N 3.27Å; T1375-M1377 PolarHBondContact O-N 3.44Å; T1375-I1378 PolarHBondContact O-N 3.35Å
1376D31.8Very low31.2Very low134 Ų134146 Ų14672%0.71773%0.731SS**THydrogen-bonded Turntrans-75.4-14.3-167.4-68.41.7000113.8
1377M32.3Very low31.6Very low125 Ų125143.7 Ų143.762%0.61672%0.724SS**THydrogen-bonded Turntrans-79.7-21.5174.4-79.7-117.162.800113.8T1375 F1379T1375-M1377 VanDerWaalsContact C-N 3.27Å; T1375-M1377 PolarHBondContact O-N 3.44Å; M1377-F1379 PolarHBondContact O-N 2.88Å
1378I33.7Very low32.1Very low97 Ų97140.8 Ų140.850%0.49772%0.719SS.*THydrogen-bonded Turntrans-70.7-31.4-170.3-64.5174.6000111.9T1375 I1382T1375-I1378 PolarHBondContact O-N 3.35Å; I1378-I1382 WeakPolarHBondContact O-CD1 3.42Å
1379F31.1Very low32.5Very low186 Ų186141.3 Ų141.382%0.81672%0.717SS**THydrogen-bonded Turntrans-91.3-12.6-172.4-80.7-78.9000116.1M1377M1377-F1379 PolarHBondContact O-N 2.88Å
1380K34.9Very low33.4Very low190 Ų190140.7 Ų140.783%0.82671%0.713SS**SBendtrans-94.4-10.4-176.3-78.6-165.4174.4-171.60115.8
1381Q31.6Very low34.6Very low136 Ų136144.4 Ų144.464%0.63672%0.719SS**SBendtrans-116.2-0.8-173.9-152.364.563.100114.3H1383Q1381-H1383 PolarHBondContact O-N 2.72Å
1382I29.1Very low35.6Very low107 Ų107140 Ų14055%0.54971%0.706SS.*  trans-91.6101.1177-58.2176.1000108.7I1378I1378-I1382 WeakPolarHBondContact O-CD1 3.42Å
1383H37.6Very low36.4Very low160 Ų160136.4 Ų136.474%0.74169%0.693SS**  trans-70.4127.9161.3-87.6-101000108.7Q1381 N1385Q1381-H1383 PolarHBondContact O-N 2.72Å; H1383-N1385 VanDerWaalsContact C-N 3.31Å; H1383-N1385 PolarHBondContact O-N 2.66Å
1384I37.4Very low38.4Very low128 Ų128136.4 Ų136.466%0.65669%0.688SS**G310 helixtrans-81.3-5.7-166.5-69.2174.8000113.3L1387I1384-L1387 WeakPolarHBondContact O-CD1 3.33Å
1385N40.3Very low40Very low125 Ų125137.7 Ų137.767%0.66868%0.683SS**G310 helixtrans-89.4-11.9-170.5-69.731000115.6H1383 L1387H1383-N1385 VanDerWaalsContact C-N 3.31Å; H1383-N1385 PolarHBondContact O-N 2.66Å; N1385-L1387 PolarHBondContact O-N 3.49Å
1386D34.3Very low41.7Very low150 Ų150138.1 Ų138.180%0.80268%0.682SS**G310 helixtrans-83.723.1177.2-70.7-37.2000113.3E1388D1386-E1388 VanDerWaalsContact C-N 3.31Å; D1386-E1388 PolarHBondContact O-N 3.22Å; D1386-E1388 VanDerWaalsContact O-N 3.09Å
1387L33.3Very low43.6Very low136 Ų136135.4 Ų135.471%0.71267%0.667SS**  trans-85.546.6-171.3-102.286.9000115I1384 N1385I1384-L1387 WeakPolarHBondContact O-CD1 3.33Å; N1385-L1387 PolarHBondContact O-N 3.49Å
1388E37.8Very low45.5Very low174 Ų174132.1 Ų132.181%0.81366%0.656SS**SBendtrans-116.4123.8165.8-68.3-160.2164.900112.3D1386D1386-E1388 VanDerWaalsContact C-N 3.31Å; D1386-E1388 PolarHBondContact O-N 3.22Å; D1386-E1388 VanDerWaalsContact O-N 3.09Å
1389Q36.8Very low47.3Very low170 Ų170132.7 Ų132.779%0.79466%0.657SS**  trans83.196.7178.5-50.1-169.927.200116.7E1391Q1389-E1391 VanDerWaalsContact C-N 3.33Å; Q1389-E1391 PolarHBondContact O-N 3.28Å
1390P46Very low49Very low107 Ų107130 Ų13070%0.69564%0.642SS**G310 helixtrans-75.5-9.2-174.730.9-36.4000115.5N1392 M1393P1390-N1392 VanDerWaalsContact C-N 3.31Å; P1390-N1392 PolarHBondContact O-N 2.83Å; P1390-M1393 WeakPolarHBondContact O-CB 3.34Å; P1390-M1393 PolarHBondContact O-N 2.92Å
1391E48.1Very low50.9Low184 Ų184128.1 Ų128.186%0.8663%0.63SS**G310 helixtrans-71.4-20.6-173.9-63.2-164165.600114.1Q1389Q1389-E1391 VanDerWaalsContact C-N 3.33Å; Q1389-E1391 PolarHBondContact O-N 3.28Å
1392N48.7Very low53.2Low113 Ų113125.1 Ų125.160%0.60462%0.616SS**G310 helixtrans-88-9.9173.6-80.1-6.3000113.7P1390 E1394 E1395 L1396P1390-N1392 VanDerWaalsContact C-N 3.31Å; P1390-N1392 PolarHBondContact O-N 2.83Å; N1392-E1394 VanDerWaalsContact C-N 3.35Å; N1392-E1394 PolarHBondContact O-N 3.45Å; N1392-E1395 PolarHBondContact O-N 3.07Å; N1392-E1395 VanDerWaalsContact O-N 3.17Å; N1392-L1396 PolarHBondContact O-N 2.88Å
1393M47.5Very low54.9Low117 Ų117125.3 Ų125.358%0.57662%0.615SS**Hα-helixtrans-67.2-35.4-166.9-138.7-111.4-7400112.1P1390 L1396 L1397P1390-M1393 WeakPolarHBondContact O-CB 3.34Å; P1390-M1393 PolarHBondContact O-N 2.92Å; M1393-L1396 PolarHBondContact O-N 3.48Å; M1393-L1397 VanDerWaalsContact O-CB 3.31Å; M1393-L1397 WeakPolarHBondContact O-CB 3.44Å; M1393-L1397 VanDerWaalsContact O-CG 3.24Å; M1393-L1397 WeakPolarHBondContact O-CG 3.26Å; M1393-L1397 PolarHBondContact O-N 2.91Å; M1393-L1397 HydrophobicContact SD-CD1 3.7Å; M1393-L1397 HydrophobicContact SD-CG 4.27Å
1394E70.3Confident56.4Low141 Ų141122.6 Ų122.666%0.65961%0.605SS**Hα-helixtrans-74.9-27.9176.2-171.6149.7-145.500113.2N1392 S1398N1392-E1394 VanDerWaalsContact C-N 3.35Å; N1392-E1394 PolarHBondContact O-N 3.45Å; E1394-S1398 WeakPolarHBondContact O-CB 3.24Å; E1394-S1398 PolarHBondContact O-N 2.67Å; E1394-S1398 PolarHBondContact O-OG 3.21Å
1395E67.2Low58.2Low126 Ų126123.7 Ų123.759%0.58960%0.601SS**Hα-helixtrans-70.4-42.5171.1-173.4171.2-172.200110.8N1392 S1398 Q1399N1392-E1395 PolarHBondContact O-N 3.07Å; N1392-E1395 VanDerWaalsContact O-N 3.17Å; E1395-S1398 WeakPolarHBondContact O-CB 3.31Å; E1395-S1398 PolarHBondContact O-N 2.92Å; E1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; E1395-Q1399 PolarHBondContact O-N 3.14Å
1396L66.9Low59.6Low94 Ų94122.8 Ų122.849%0.49259%0.593SS.*Hα-helixtrans-67-43.8178.9-140.7165.1000111.4N1392 M1393 S1398 Q1399 Y1400N1392-L1396 PolarHBondContact O-N 2.88Å; M1393-L1396 PolarHBondContact O-N 3.48Å; L1396-S1398 VanDerWaalsContact C-N 3.32Å; L1396-S1398 PolarHBondContact O-N 2.9Å; L1396-Q1399 PolarHBondContact O-N 3.48Å; L1396-Y1400 HydrophobicContact CD2-CD2 3.63Å; L1396-Y1400 HydrophobicContact CD2-CE2 3.47Å; L1396-Y1400 VanDerWaalsContact CD2-CE2 3.47Å; L1396-Y1400 PolarHBondContact O-N 2.86Å
1397L70.7Confident60.9Low77 Ų77120.5 Ų120.540%0.40358%0.58SS.*Hα-helixtrans-63.6-35.2170.7-73.4171.3000112.4M1393 Y1400 R1401M1393-L1397 VanDerWaalsContact O-CB 3.31Å; M1393-L1397 WeakPolarHBondContact O-CB 3.44Å; M1393-L1397 VanDerWaalsContact O-CG 3.24Å; M1393-L1397 WeakPolarHBondContact O-CG 3.26Å; M1393-L1397 PolarHBondContact O-N 2.91Å; M1393-L1397 HydrophobicContact SD-CD1 3.7Å; M1393-L1397 HydrophobicContact SD-CG 4.27Å; L1397-Y1400 PolarHBondContact O-N 3.08Å; L1397-R1401 WeakPolarHBondContact O-CB 3.41Å; L1397-R1401 WeakPolarHBondContact O-CG 3.27Å; L1397-R1401 PolarHBondContact O-N 3.24Å
1398S72.9Confident62.1Low56 Ų56118.4 Ų118.439%0.39257%0.569SS.*Hα-helixtrans-68.3-38174.5-65.30000112E1394 E1395 L1396 R1401 E1402E1394-S1398 WeakPolarHBondContact O-CB 3.24Å; E1394-S1398 PolarHBondContact O-N 2.67Å; E1394-S1398 PolarHBondContact O-OG 3.21Å; E1395-S1398 WeakPolarHBondContact O-CB 3.31Å; E1395-S1398 PolarHBondContact O-N 2.92Å; L1396-S1398 VanDerWaalsContact C-N 3.32Å; L1396-S1398 PolarHBondContact O-N 2.9Å; S1398-R1401 PolarHBondContact O-N 3.28Å; S1398-E1402 VanDerWaalsContact O-CB 3.23Å; S1398-E1402 WeakPolarHBondContact O-CB 3.39Å; S1398-E1402 PolarHBondContact O-N 2.89Å
1399Q70.2Confident63.4Low109 Ų109113 Ų11351%0.50955%0.546SS..Hα-helixtrans-63.3-45.6172.7-72.8-177.629.500111.7E1395 L1396 E1402 Q1403E1395-Q1399 WeakPolarHBondContact O-CG 3.5Å; E1395-Q1399 PolarHBondContact O-N 3.14Å; L1396-Q1399 PolarHBondContact O-N 3.48Å; Q1399-E1402 PolarHBondContact O-N 3.26Å; Q1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-Q1403 PolarHBondContact O-N 3Å
1400Y68Low63.8Low131 Ų131108.8 Ų108.851%0.51453%0.534SS..Hα-helixtrans-65.3-40.8175.9-87.8-64.7000113.1L1396 L1397 E1402 Q1403 L1404L1396-Y1400 HydrophobicContact CD2-CD2 3.63Å; L1396-Y1400 HydrophobicContact CD2-CE2 3.47Å; L1396-Y1400 VanDerWaalsContact CD2-CE2 3.47Å; L1396-Y1400 PolarHBondContact O-N 2.86Å; L1397-Y1400 PolarHBondContact O-N 3.08Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.23Å; Y1400-Q1403 PolarHBondContact O-N 3.35Å; Y1400-L1404 WeakPolarHBondContact O-CB 3.47Å; Y1400-L1404 PolarHBondContact O-N 2.91Å
1401R74.8Confident63.8Low150 Ų150108.7 Ų108.757%0.56653%0.527SS*.Hα-helixtrans-61.1-39.9173.3-76.3168.9179.3166.31.3111.7L1397 S1398 L1404 R1405L1397-R1401 WeakPolarHBondContact O-CB 3.41Å; L1397-R1401 WeakPolarHBondContact O-CG 3.27Å; L1397-R1401 PolarHBondContact O-N 3.24Å; S1398-R1401 PolarHBondContact O-N 3.28Å; R1401-L1404 PolarHBondContact O-N 3.33Å; R1401-R1405 WeakPolarHBondContact O-CB 3.34Å; R1401-R1405 PolarHBondContact O-N 3.21Å
1402E78.7Confident63.6Low72 Ų72106.9 Ų106.934%0.33652%0.519SS..Hα-helixtrans-73.6-34.2178.7-173.858.7-159.900112.1S1398 Q1399 Y1400 R1405 Q1406S1398-E1402 VanDerWaalsContact O-CB 3.23Å; S1398-E1402 WeakPolarHBondContact O-CB 3.39Å; S1398-E1402 PolarHBondContact O-N 2.89Å; Q1399-E1402 PolarHBondContact O-N 3.26Å; Y1400-E1402 VanDerWaalsContact C-N 3.3Å; Y1400-E1402 PolarHBondContact O-N 3.23Å; E1402-R1405 PolarHBondContact O-N 2.83Å; E1402-R1405 IonicContact OE2-CZ 2.66Å; E1402-R1405 IonicContact OE2-NE 3.15Å; E1402-R1405 PolarHBondContact OE2-NE 2.92Å; E1402-R1405 VanDerWaalsContact OE2-NE 3.07Å; E1402-R1405 IonicContact OE2-NH2 2.72Å; E1402-R1405 PolarHBondContact OE2-NH2 3.49Å; E1402-Q1406 WeakPolarHBondContact O-CB 3.37Å; E1402-Q1406 VanDerWaalsContact O-CG 3.29Å; E1402-Q1406 WeakPolarHBondContact O-CG 3.48Å; E1402-Q1406 PolarHBondContact O-N 3.42Å; E1402-Q1406 PolarHBondContact OE1-NE2 3.01Å
1403Q66Low63.2Low112 Ų112108.8 Ų108.852%0.52352%0.521SS..Hα-helixtrans-64.2-44.5169.2-75.3179.96.600112Q1399 Y1400 R1405 Q1406 L1407Q1399-Q1403 WeakPolarHBondContact O-CG 3.35Å; Q1399-Q1403 PolarHBondContact O-N 3Å; Y1400-Q1403 PolarHBondContact O-N 3.35Å; Q1403-R1405 VanDerWaalsContact C-N 3.29Å; Q1403-R1405 PolarHBondContact O-N 3.37Å; Q1403-Q1406 PolarHBondContact O-N 3.17Å; Q1403-L1407 WeakPolarHBondContact O-CB 3.32Å; Q1403-L1407 PolarHBondContact O-N 2.92Å
1404L68.5Low62.4Low103 Ų103108.6 Ų108.654%0.53953%0.526SS..Hα-helixtrans-63-36.5173.3-78.7167.8000111.7Y1400 R1401 L1407 N1408Y1400-L1404 WeakPolarHBondContact O-CB 3.47Å; Y1400-L1404 PolarHBondContact O-N 2.91Å; R1401-L1404 PolarHBondContact O-N 3.33Å; L1404-L1407 PolarHBondContact O-N 3.46Å; L1404-N1408 WeakPolarHBondContact O-CB 3.33Å; L1404-N1408 PolarHBondContact O-N 3.47Å
1405R75.8Confident60.5Low151 Ų151108.2 Ų108.257%0.5753%0.525SS*.Hα-helixtrans-65.2-44.1171.9-126.1-143.9-54.4-119.71.7111.5R1401 E1402 Q1403 L1407 N1408 D1409R1401-R1405 WeakPolarHBondContact O-CB 3.34Å; R1401-R1405 PolarHBondContact O-N 3.21Å; E1402-R1405 PolarHBondContact O-N 2.83Å; E1402-R1405 IonicContact OE2-CZ 2.66Å; E1402-R1405 IonicContact OE2-NE 3.15Å; E1402-R1405 PolarHBondContact OE2-NE 2.92Å; E1402-R1405 VanDerWaalsContact OE2-NE 3.07Å; E1402-R1405 IonicContact OE2-NH2 2.72Å; E1402-R1405 PolarHBondContact OE2-NH2 3.49Å; Q1403-R1405 VanDerWaalsContact C-N 3.29Å; Q1403-R1405 PolarHBondContact O-N 3.37Å; R1405-L1407 VanDerWaalsContact C-N 3.31Å; R1405-L1407 PolarHBondContact O-N 3.36Å; R1405-N1408 PolarHBondContact O-N 3.35Å; R1405-D1409 WeakPolarHBondContact O-CB 3.46Å; R1405-D1409 PolarHBondContact O-N 3.44Å
1406Q69.1Low59Low106 Ų106108.3 Ų108.350%0.49554%0.536SS..Hα-helixtrans-63.8-35.1176.1-74.1169.725.300112.4E1402 Q1403 C1410E1402-Q1406 WeakPolarHBondContact O-CB 3.37Å; E1402-Q1406 VanDerWaalsContact O-CG 3.29Å; E1402-Q1406 WeakPolarHBondContact O-CG 3.48Å; E1402-Q1406 PolarHBondContact O-N 3.42Å; E1402-Q1406 PolarHBondContact OE1-NE2 3.01Å; Q1403-Q1406 PolarHBondContact O-N 3.17Å; Q1406-C1410 WeakPolarHBondContact O-CB 3.22Å; Q1406-C1410 PolarHBondContact O-N 3.14Å; Q1406-C1410 PolarHBondContact O-SG 3.08Å
1407L62.1Low57Low101 Ų101108.9 Ų108.953%0.52954%0.54SS..Hα-helixtrans-65.8-49.3172.5-167.682.1000111Q1403 L1404 R1405 D1409 C1410 I1411Q1403-L1407 WeakPolarHBondContact O-CB 3.32Å; Q1403-L1407 PolarHBondContact O-N 2.92Å; L1404-L1407 PolarHBondContact O-N 3.46Å; R1405-L1407 VanDerWaalsContact C-N 3.31Å; R1405-L1407 PolarHBondContact O-N 3.36Å; L1407-D1409 PolarHBondContact O-N 3.3Å; L1407-C1410 WeakPolarHBondContact O-CB 3.2Å; L1407-C1410 PolarHBondContact O-N 2.98Å; L1407-C1410 VanDerWaalsContact O-N 3.11Å; L1407-I1411 HydrophobicContact CD2-CD1 4.38Å; L1407-I1411 HydrophobicContact CG-CD1 4.11Å; L1407-I1411 VanDerWaalsContact O-CG1 3.31Å; L1407-I1411 WeakPolarHBondContact O-CG1 3.33Å; L1407-I1411 PolarHBondContact O-N 3.15Å
1408N58.9Low54.8Low93 Ų93111.2 Ų111.250%0.49756%0.561SS.*Hα-helixtrans-64.9-37.9177-74.7-14.1000112.2L1404 R1405 C1410 I1411 E1412L1404-N1408 WeakPolarHBondContact O-CB 3.33Å; L1404-N1408 PolarHBondContact O-N 3.47Å; R1405-N1408 PolarHBondContact O-N 3.35Å; N1408-C1410 VanDerWaalsContact C-N 3.29Å; N1408-C1410 PolarHBondContact O-N 2.84Å; N1408-I1411 CarbonylContact O-C 3.51Å; N1408-I1411 PolarHBondContact O-N 3.04Å; N1408-E1412 WeakPolarHBondContact O-CB 3.22Å; N1408-E1412 PolarHBondContact O-N 3.33Å
1409D63.6Low52.4Low61 Ų61117.3 Ų117.333%0.32658%0.577SS.*Hα-helixtrans-61.9-35.6171-101.352.6000111.4R1405 L1407 K1413R1405-D1409 WeakPolarHBondContact O-CB 3.46Å; R1405-D1409 PolarHBondContact O-N 3.44Å; L1407-D1409 PolarHBondContact O-N 3.3Å; D1409-K1413 WeakPolarHBondContact O-CB 3.34Å; D1409-K1413 VanDerWaalsContact O-CD 3.29Å; D1409-K1413 WeakPolarHBondContact O-CD 3.28Å; D1409-K1413 WeakPolarHBondContact O-CG 3.35Å; D1409-K1413 PolarHBondContact O-N 3.34Å; D1409-K1413 IonicContact OD2-NZ 2.95Å; D1409-K1413 PolarHBondContact OD2-NZ 3.07Å
1410C46.1Very low50.3Low81 Ų81120.9 Ų120.955%0.54759%0.593SS.*Hα-helixtrans-71.3-38.6173.1-78.10000111.2Q1406 L1407 N1408 K1413 V1414Q1406-C1410 WeakPolarHBondContact O-CB 3.22Å; Q1406-C1410 PolarHBondContact O-N 3.14Å; Q1406-C1410 PolarHBondContact O-SG 3.08Å; L1407-C1410 WeakPolarHBondContact O-CB 3.2Å; L1407-C1410 PolarHBondContact O-N 2.98Å; L1407-C1410 VanDerWaalsContact O-N 3.11Å; N1408-C1410 VanDerWaalsContact C-N 3.29Å; N1408-C1410 PolarHBondContact O-N 2.84Å; C1410-K1413 PolarHBondContact O-N 3.33Å; C1410-V1414 WeakPolarHBondContact O-CG2 3.3Å; C1410-V1414 PolarHBondContact O-N 3.13Å
1411I47.1Very low48.1Very low105 Ų105122.2 Ų122.254%0.53861%0.609SS.*Hα-helixtrans-68.6-40176.1-66.2162.2000111L1407 N1408 V1414L1407-I1411 HydrophobicContact CD2-CD1 4.38Å; L1407-I1411 HydrophobicContact CG-CD1 4.11Å; L1407-I1411 VanDerWaalsContact O-CG1 3.31Å; L1407-I1411 WeakPolarHBondContact O-CG1 3.33Å; L1407-I1411 PolarHBondContact O-N 3.15Å; N1408-I1411 CarbonylContact O-C 3.51Å; N1408-I1411 PolarHBondContact O-N 3.04Å; I1411-V1414 CarbonylContact O-C 3.58Å; I1411-V1414 WeakPolarHBondContact O-CB 3.12Å; I1411-V1414 PolarHBondContact O-N 3.44Å
1412E43.3Very low45.9Very low146 Ų146119.9 Ų119.968%0.68261%0.613SS**Hα-helixtrans-73.3-32.6173.1-78.3-168.1156.500112.4N1408 V1414 E1415N1408-E1412 WeakPolarHBondContact O-CB 3.22Å; N1408-E1412 PolarHBondContact O-N 3.33Å; E1412-V1414 CarbonylContact O-C 3.56Å; E1412-V1414 PolarHBondContact O-N 3.41Å; E1412-E1415 WeakPolarHBondContact O-CG 3.31Å; E1412-E1415 PolarHBondContact O-N 2.81Å
1413K39.3Very low43.2Very low152 Ų152124 Ų12466%0.66164%0.638SS**Hα-helixtrans-71.6-14.5171.3-75.4166.1-168.6133.90113D1409 C1410 E1415D1409-K1413 WeakPolarHBondContact O-CB 3.34Å; D1409-K1413 VanDerWaalsContact O-CD 3.29Å; D1409-K1413 WeakPolarHBondContact O-CD 3.28Å; D1409-K1413 WeakPolarHBondContact O-CG 3.35Å; D1409-K1413 PolarHBondContact O-N 3.34Å; D1409-K1413 IonicContact OD2-NZ 2.95Å; D1409-K1413 PolarHBondContact OD2-NZ 3.07Å; C1410-K1413 PolarHBondContact O-N 3.33Å; K1413-E1415 PolarHBondContact O-N 3.49Å; K1413-E1415 VanDerWaalsContact O-N 3.13Å
1414V31.3Very low41.3Very low113 Ų113127 Ų12769%0.68566%0.656SS**SBendtrans-79.860.9153.6-175.90000107.8C1410 I1411 E1412 P1416C1410-V1414 WeakPolarHBondContact O-CG2 3.3Å; C1410-V1414 PolarHBondContact O-N 3.13Å; I1411-V1414 CarbonylContact O-C 3.58Å; I1411-V1414 WeakPolarHBondContact O-CB 3.12Å; I1411-V1414 PolarHBondContact O-N 3.44Å; E1412-V1414 CarbonylContact O-C 3.56Å; E1412-V1414 PolarHBondContact O-N 3.41Å; V1414-P1416 WeakPolarHBondContact O-CD 3.47Å
1415E29.9Very low39Very low133 Ų133126.7 Ų126.762%0.62166%0.663SS**  trans-67.2125.2168.3-82.3-155.5148.900108.1E1412 K1413 N1417E1412-E1415 WeakPolarHBondContact O-CG 3.31Å; E1412-E1415 PolarHBondContact O-N 2.81Å; K1413-E1415 PolarHBondContact O-N 3.49Å; K1413-E1415 VanDerWaalsContact O-N 3.13Å; E1415-N1417 HydrophobicContact CB-CB 4.22Å; E1415-N1417 VanDerWaalsContact CD-ND2 3.29Å; E1415-N1417 PolarHBondContact O-N 2.99Å; E1415-N1417 PolarHBondContact OE2-ND2 3.29Å
1416P36.8Very low36.6Very low128 Ų128127.5 Ų127.583%0.83167%0.673SS**  trans-78.459.7174.533.7-35.2000110.7V1414V1414-P1416 WeakPolarHBondContact O-CD 3.47Å
1417N24.2Very low34.5Very low107 Ų107128.2 Ų128.257%0.57269%0.685SS**  trans-11483.3-172.4-91.4-27.8000112.9E1415E1415-N1417 HydrophobicContact CB-CB 4.22Å; E1415-N1417 VanDerWaalsContact CD-ND2 3.29Å; E1415-N1417 PolarHBondContact O-N 2.99Å; E1415-N1417 PolarHBondContact OE2-ND2 3.29Å
1418C23.7Very low32.5Very low126 Ų126131.6 Ų131.685%0.85170%0.702SS**  trans-148.449158.1-98.10000112.8
1419Y24Very low30.7Very low183 Ų183131.6 Ų131.672%0.71871%0.71SS**SBendtrans-123.8135.5147.9-80.8-77.4000108.8
1420H25Very low28.9Very low184 Ų184136.9 Ų136.985%0.85273%0.732SS**  trans64.582.6-175.6-57.2-64.1000117.1
1421N23.1Very low27.6Very low160 Ų160137.4 Ų137.486%0.85674%0.737SS**  -135.2112.3126.1-150.9-8.5000109.3N1423N1421-N1423 PolarHBondContact O-N 2.71Å
1422P28.4Very low26.4Very low100 Ų100138.1 Ų138.165%0.64975%0.746SS**  trans-81.3120.6-176.731.4-31.7000110.3
1423N21.6Very low25.4Very low158 Ų158139.7 Ų139.785%0.84575%0.754SS**  trans-179.7157144-92.3-40.3000110.3N1421N1421-N1423 PolarHBondContact O-N 2.71Å
1424L24.9Very low24.5Very low175 Ų175137.7 Ų137.792%0.91676%0.759SS**  trans75.551.5177.1-57.2165.2000116.6
1425S22Very low24Very low98 Ų98138.1 Ų138.169%0.68576%0.761SS**  trans-101.3136.7133.958.60000108.6
1426H25.1Very low23.6Very low168 Ų168139 Ų13978%0.77877%0.765SS**  trans67.1130.2177-54.8-73.4000115.4
1427T23.8Very low22.7Very low121 Ų121140.8 Ų140.874%0.74276%0.76SS**  cis-154.3161.28.412.20000111S1429T1427-S1429 PolarHBondContact O-N 3.31Å
1428L20.1Very low22.5Very low171 Ų171142.7 Ų142.790%0.89577%0.768SS**  trans-62.2124.1152.9-69.3100.1000109.4
1429S22.6Very low22.3Very low93 Ų93146.8 Ų146.865%0.6577%0.766SS**  trans171.1131.6134.560.70000113.2T1427T1427-S1429 PolarHBondContact O-N 3.31Å
1430H24.1Very low22.2Very low172 Ų172144.6 Ų144.680%0.79677%0.767SS**  trans68.1104.4156.6-59.1-55.6000121.4
1431S19.7Very low22.8Very low93 Ų93141.6 Ų141.665%0.6576%0.763SS**  32.1135121.656.90000122.3
1432T22.4Very low22.9Very low120 Ų120139 Ų13974%0.73676%0.758SS**  trans69.6112.7147.251.10000120.9
1433Q21.2Very low22.7Very low179 Ų179140.4 Ų140.484%0.83676%0.76SS**  trans66.4119.8132.6-65.6-176.7-6.600121.2
1434S19.8Very low22.8Very low109 Ų109143.7 Ų143.776%0.76276%0.761SS**  trans69.9129.4131.2-82.30000123
1435V20.9Very low22.7Very low123 Ų123141.6 Ų141.675%0.74576%0.755SS**  trans83.5109.1132.7174.90000119.5
1436H21.8Very low23.5Very low151 Ų151142.5 Ų142.570%0.69976%0.759SS**  trans56.9121140.3-73.5-22.8000123.7
1437K18.6Very low23.5Very low166 Ų166140.6 Ų140.672%0.72275%0.754SS**  74.7144.1122.9-71.8-179.6175175.20121
1438I19.6Very low23.4Very low146 Ų146140.4 Ų140.475%0.74975%0.749SS**  trans88.298.6148.9-69.1152.9000118.8
1439R19.4Very low23.9Very low213 Ų213140.1 Ų140.180%0.80475%0.748SS**  76.5111.9112.4-160.9-176.9-173.9173.9-0.5122.5
1440D21.9Very low24Very low137 Ų137141.7 Ų141.773%0.73375%0.754SS**  trans50.7-175.7138.4-43.4-31.8000120.1
1441P38.3Very low23.8Very low120 Ų120140.2 Ų140.278%0.77975%0.752SS**  -133.1154.8-92.939.9-22.9000115.2
1442S25.4Very low23.9Very low106 Ų106141.9 Ų141.974%0.74175%0.752SS**  trans-164135.5156.459.90000117.3
1443N22.9Very low23.9Very low130 Ų130143.8 Ų143.870%0.69576%0.758SS**  trans68.5116.9130.7-75.6-28.4000125.3
1444R23.9Very low24Very low227 Ų227138.3 Ų138.386%0.85775%0.75SS**  113.9130.9116.9-77.8169.7-168.1-147.53.1121.2
1445T23.5Very low24.3Very low130 Ų130140.2 Ų140.280%0.79875%0.751SS**  trans-75.4176.8170.7480000112.3
1446P37.6Very low24.5Very low118 Ų118140.6 Ų140.677%0.76675%0.749SS**  cis-146.9179.522.243.8-23.5000118.8
1447N25.3Very low24.7Very low128 Ų128139.5 Ų139.568%0.68475%0.748SS**  155.4133.2118.9-155.424.6000115.5
1448N22.9Very low24.9Very low117 Ų117138.8 Ų138.863%0.62675%0.747SS**  trans38.4107.3161.7-68.3-8.9000123.9
1449N30.2Very low25.1Very low165 Ų165137.8 Ų137.888%0.88274%0.742SS**  -161.2156.9128.5-118.7-13.9000111.9
1450T23.8Very low25.2Very low125 Ų125134.1 Ų134.177%0.76774%0.738SS**  trans-61.5126.1172.638.20000111.2
1451N20.3Very low25.2Very low141 Ų141136.2 Ų136.275%0.75475%0.749SS**  91.2146.778.9-160.423000111.8
1452I22.3Very low24.4Very low128 Ų128133.2 Ų133.266%0.65674%0.74SS**  trans76.1112172.6-52.5171.6000116.1
1453N22.7Very low24.3Very low161 Ų161137.3 Ų137.386%0.86175%0.745SS**  trans59.4130.9159.2-56.3-14.7000117.9
1454G23.7Very low24.3Very low64 Ų64139.7 Ų139.766%0.6675%0.749SS**  cis138.9138.510.400000108.9
1455N26.3Very low24.2Very low148 Ų148134.4 Ų134.479%0.79174%0.738SS**  trans66.394.2-172.7-58.3-22.4000113.5
1456N24.3Very low24.1Very low132 Ų132138.4 Ų138.471%0.70674%0.739SS**  70146.862.2-62.5-33.5000114
1457N25.7Very low23.4Very low128 Ų128140.4 Ų140.468%0.68474%0.743SS**  trans75.8107.7151.3-64-8000115.6
1458H23.4Very low23.4Very low151 Ų151141.7 Ų141.770%0.69975%0.749SS**  85.5109.574.6-80.7-39.9000110.4
1459I23.7Very low23.3Very low125 Ų125141 Ų14164%0.64175%0.753SS**  85.1130.2100.2-75.2177000111.8
1460N21.9Very low23.1Very low136 Ų136144.1 Ų144.173%0.72775%0.753SS**  trans67.7126.2170.2-61.5-15.4000115G1462N1460-G1462 VanDerWaalsContact C-N 3.32Å
1461N20.8Very low23.4Very low180 Ų180147.4 Ų147.496%0.96376%0.759SS**  cis49.149.919.7-10411.4000112.3
1462G22.4Very low23.7Very low57 Ų57145.6 Ų145.659%0.58876%0.758SS**  trans-143.9115.9175.700000108.6N1460N1460-G1462 VanDerWaalsContact C-N 3.32Å
1463K22.8Very low24.3Very low193 Ų193144.3 Ų144.384%0.83976%0.756SS**  trans-41.2142.4168.7-56.9162.4178.2175.20110.4
1464F22.5Very low24.9Very low180 Ų180143 Ų14379%0.78975%0.749SS**  -166.5132.5108.3-108.6-74.5000112.9
1465D22.2Very low25.3Very low116 Ų116146.3 Ų146.362%0.6275%0.748SS**  trans23.7138.7155.1-73.5-35.8000124.4
1466R22.1Very low25.7Very low213 Ų213144.1 Ų144.180%0.80474%0.735SS**  22.1118.2127.5-49.3174.5-176.9-165.1-1.4116.2
1467N22Very low26.2Very low160 Ų160141.5 Ų141.586%0.85673%0.726SS**  -170.9164.8113.4-99.2-33.1000113.5
1468L25.4Very low26.7Very low155 Ų155143.6 Ų143.681%0.81273%0.726SS**  trans76.187.3166.1-67.6159.6000118.1
1469S21.8Very low27.1Very low103 Ų103144.1 Ų144.172%0.7272%0.722SS**  trans-50.7166.9131.850.70000113.4
1470R26Very low27.7Very low231 Ų231143.5 Ų143.587%0.87272%0.716SS**  trans95.996.5175.9-58.5-179.2173-155.8-2.5115.5
1471Q28.4Very low28.2Very low193 Ų193139.2 Ų139.290%0.90270%0.7SS**  -166.8134.695.3-102.2172.5-6.900112
1472S27.8Very low28.8Very low104 Ų104138.8 Ų138.873%0.72769%0.685SS**  trans-105.4136.3168.750.30000108.7
1473T35.3Very low29.1Very low101 Ų101145.7 Ų145.762%0.6269%0.693SS**  trans-154.9-35.3157.812.60000114.1
1474D35.3Very low29.6Very low134 Ų134143.8 Ų143.872%0.71769%0.685SS**Hα-helixtrans-78.2-30.4-166.1-58.3-37.7000115.4I1476 S1477D1474-I1476 VanDerWaalsContact C-N 3.28Å; D1474-I1476 PolarHBondContact O-N 3.16Å; D1474-S1477 PolarHBondContact O-N 3.47Å
1475E30.8Very low30.2Very low133 Ų133141.5 Ų141.562%0.62168%0.679SS**Hα-helixtrans-69-24.6-176.4-149.2-160.6147.100113.3R1479E1475-R1479 PolarHBondContact O-N 3.28Å; E1475-R1479 IonicContact OE1-CZ 2.67Å; E1475-R1479 IonicContact OE1-NE 2.95Å; E1475-R1479 PolarHBondContact OE1-NE 3.42Å; E1475-R1479 IonicContact OE1-NH2 3.36Å; E1475-R1479 PolarHBondContact OE1-NH2 3.37Å
1476I36.2Very low30.6Very low102 Ų102141.5 Ų141.552%0.52368%0.678SS.*Hα-helixtrans-74.1-40.3178.9-62.1176000110.3D1474 Y1478 R1479 Q1480D1474-I1476 VanDerWaalsContact C-N 3.28Å; D1474-I1476 PolarHBondContact O-N 3.16Å; I1476-Y1478 VanDerWaalsContact C-N 3.35Å; I1476-Y1478 PolarHBondContact O-N 3.25Å; I1476-R1479 PolarHBondContact O-N 3.47Å; I1476-Q1480 HydrophobicContact CG2-CG 4.28Å; I1476-Q1480 WeakPolarHBondContact O-CG 3.49Å; I1476-Q1480 PolarHBondContact O-N 3.11Å
1477S34.3Very low31Very low76 Ų76138.2 Ų138.253%0.53168%0.677SS.*Hα-helixtrans-58.2-44.7179.1-58.60000111.9D1474 Q1480 A1481D1474-S1477 PolarHBondContact O-N 3.47Å; S1477-Q1480 PolarHBondContact O-N 2.92Å; S1477-A1481 WeakPolarHBondContact O-CB 3.29Å; S1477-A1481 PolarHBondContact O-N 2.95Å
1478Y36.6Very low31.3Very low173 Ų173134.6 Ų134.668%0.67866%0.664SS**Hα-helixtrans-66.6-41.1179-166.7-104.8000112.8I1476 A1481 R1482I1476-Y1478 VanDerWaalsContact C-N 3.35Å; I1476-Y1478 PolarHBondContact O-N 3.25Å; Y1478-A1481 PolarHBondContact O-N 3.36Å; Y1478-R1482 PolarHBondContact O-N 3.43Å; Y1478-R1482 VanDerWaalsContact O-N 3.11Å
1479R30.5Very low31.5Very low161 Ų161137.3 Ų137.361%0.60867%0.669SS**Hα-helixtrans-69.2-32.2176.4-67.4-171.6-171.6-148.76.4112.8E1475 I1476 R1483E1475-R1479 PolarHBondContact O-N 3.28Å; E1475-R1479 IonicContact OE1-CZ 2.67Å; E1475-R1479 IonicContact OE1-NE 2.95Å; E1475-R1479 PolarHBondContact OE1-NE 3.42Å; E1475-R1479 IonicContact OE1-NH2 3.36Å; E1475-R1479 PolarHBondContact OE1-NH2 3.37Å; I1476-R1479 PolarHBondContact O-N 3.47Å; R1479-R1483 PolarHBondContact O-N 2.75Å
1480Q36Very low31.7Very low112 Ų112136.8 Ų136.852%0.52367%0.666SS.*Hα-helixtrans-70.9-42.3172.8-74.4-170.92.700112.2I1476 S1477 R1482 R1483 K1484I1476-Q1480 HydrophobicContact CG2-CG 4.28Å; I1476-Q1480 WeakPolarHBondContact O-CG 3.49Å; I1476-Q1480 PolarHBondContact O-N 3.11Å; S1477-Q1480 PolarHBondContact O-N 2.92Å; Q1480-R1482 VanDerWaalsContact C-N 3.34Å; Q1480-R1482 PolarHBondContact O-N 3.41Å; Q1480-R1483 PolarHBondContact O-N 2.94Å; Q1480-K1484 PolarHBondContact O-N 3.37Å
1481A33.1Very low31.7Very low47 Ų47133 Ų13339%0.38866%0.663SS.*Hα-helixtrans-56-48.7174.700000111.4S1477 Y1478 R1483 K1484 I1485S1477-A1481 WeakPolarHBondContact O-CB 3.29Å; S1477-A1481 PolarHBondContact O-N 2.95Å; Y1478-A1481 PolarHBondContact O-N 3.36Å; A1481-R1483 VanDerWaalsContact C-N 3.33Å; A1481-R1483 PolarHBondContact O-N 3.33Å; A1481-K1484 PolarHBondContact O-N 3.28Å; A1481-I1485 WeakPolarHBondContact O-CG1 3.4Å; A1481-I1485 PolarHBondContact O-N 3.32Å; A1481-I1485 VanDerWaalsContact O-N 3.1Å
1482R32.5Very low31.5Very low170 Ų170131.9 Ų131.964%0.64266%0.663SS**Hα-helixtrans-67.9-27.4-179.6-152.7172.8-168.1-101.22.6113.9Y1478 Q1480 I1486Y1478-R1482 PolarHBondContact O-N 3.43Å; Y1478-R1482 VanDerWaalsContact O-N 3.11Å; Q1480-R1482 VanDerWaalsContact C-N 3.34Å; Q1480-R1482 PolarHBondContact O-N 3.41Å; R1482-I1486 WeakPolarHBondContact O-CG1 3.37Å
1483R30.1Very low31.5Very low202 Ų202132.6 Ų132.676%0.76267%0.668SS**Hα-helixtrans-76.5-35.5171.9-81.4-177.4173.5160.9-2.2113.1R1479 Q1480 A1481R1479-R1483 PolarHBondContact O-N 2.75Å; Q1480-R1483 PolarHBondContact O-N 2.94Å; A1481-R1483 VanDerWaalsContact C-N 3.33Å; A1481-R1483 PolarHBondContact O-N 3.33Å
1484K32.4Very low31Very low153 Ų153134 Ų13467%0.66568%0.677SS**Hα-helixtrans-67-39.2175.9-74.8-175.2175.1-175.80112.1Q1480 A1481 I1486 N1487 S1488Q1480-K1484 PolarHBondContact O-N 3.37Å; A1481-K1484 PolarHBondContact O-N 3.28Å; K1484-I1486 VanDerWaalsContact C-N 3.29Å; K1484-I1486 PolarHBondContact O-N 3.06Å; K1484-N1487 PolarHBondContact O-N 3.44Å; K1484-S1488 PolarHBondContact O-OG 3.43Å
1485I35.7Very low30.5Very low132 Ų132133.5 Ų133.568%0.67768%0.681SS**Hα-helixtrans-64.6-28.9-179.8-68.3164.3000113.2A1481A1481-I1485 WeakPolarHBondContact O-CG1 3.4Å; A1481-I1485 PolarHBondContact O-N 3.32Å; A1481-I1485 VanDerWaalsContact O-N 3.1Å
1486I30.2Very low30.3Very low117 Ų117133.6 Ų133.660%0.669%0.69SS**Hα-helixtrans-81.1-27-177-67.3173000112.5R1482 K1484R1482-I1486 WeakPolarHBondContact O-CG1 3.37Å; K1484-I1486 VanDerWaalsContact C-N 3.29Å; K1484-I1486 PolarHBondContact O-N 3.06Å
1487N30.6Very low30.1Very low143 Ų143134.7 Ų134.777%0.76570%0.704SS**SBendtrans-11218-171.1-85.521.9000115.4K1484K1484-N1487 PolarHBondContact O-N 3.44Å
1488S28.4Very low29.8Very low85 Ų85139.8 Ų139.859%0.59472%0.724SS**  trans-123.659.2175.664.30000112.9K1484K1484-S1488 PolarHBondContact O-OG 3.43Å
1489K28.9Very low29.1Very low211 Ų211135 Ų13592%0.91773%0.727SS**  trans-102.265.4158.8-80-167.7175.6-174.50110.2
1490S25.8Very low28.8Very low93 Ų93139 Ų13965%0.6574%0.742SS**  trans-155.6136.5167.346.50000111.6
1491N27.1Very low28.6Very low151 Ų151140.5 Ų140.581%0.80776%0.759SS**  trans66.4102.7160.6-58.3-3.6000119.9
1492N24.6Very low28.1Very low169 Ų169145.7 Ų145.790%0.90478%0.779SS**  trans3116.4142.3-58.2-11.2000118.5
1493S27.5Very low27.7Very low119 Ų119147.2 Ų147.283%0.83279%0.79SS**  trans-167.2153.9133.242.50000111.7
1494T24.8Very low27.6Very low132 Ų132146.7 Ų146.781%0.8179%0.794SS**  trans-84.2140.5-163.5-43.50000113.2
1495P25.5Very low27Very low122 Ų122145.4 Ų145.479%0.79280%0.799SS**  trans-84.7146.9-178.733.2-35.3000114.1
1496V25.1Very low26.4Very low136 Ų136148.4 Ų148.482%0.82481%0.81SS**  trans-125.1139.1175.1176.40000109.3
1497P31.4Very low25.9Very low125 Ų125148.8 Ų148.881%0.81282%0.822SS**  trans-93.2149.3-163.235.5-35.7000114.6
1498L28.7Very low25.4Very low183 Ų183147.2 Ų147.296%0.95882%0.822SS**  trans-115.7106.6172.9-90.5164.5000111.7
1499G22.6Very low25.2Very low71 Ų71152 Ų15273%0.73283%0.834SS**  trans-127.5109164.500000110.6
1500R24.6Very low24.8Very low245 Ų245151 Ų15193%0.92583%0.833SS**  trans-171.6115.7163.6-103.3176.8-161.7-176.46.7109.1
1501V30.5Very low24.6Very low145 Ų145153.6 Ų153.688%0.87984%0.84SS**  -168.2118.1121.7166.70000107.4
1502L23Very low24.3Very low155 Ų155152.4 Ų152.481%0.81284%0.843SS**  trans-152.1115.7166.8-103.9173.1000107
1503K23.4Very low24.3Very low202 Ų202152.3 Ų152.388%0.87884%0.837SS**  trans169.8162.3147.6-99.1170.3-178.3-174.40113.3
1504K27.9Very low24.1Very low192 Ų192152.8 Ų152.884%0.83583%0.83SS**  trans77.2107.5-175.9-56.8-174.3177.3-176.40112.7
1505T21Very low24Very low125 Ų125155.4 Ų155.477%0.76783%0.83SS**  cis60.5104.127.176.30000115.9
1506Q24Very low23.8Very low195 Ų195155.8 Ų155.891%0.91183%0.83SS**  -171.5152.8120-106168.2-26.500112.7
1507C19Very low23.6Very low126 Ų126156.7 Ų156.785%0.85183%0.83SS**  trans-116.1140.2177.4-58.80000110.3
1508S20.5Very low23.1Very low109 Ų109156.8 Ų156.876%0.76282%0.824SS**  trans173.1116.3148.849.70000108.2
1509H22.5Very low22.8Very low186 Ų186155 Ų15586%0.86182%0.816SS**  43.9100.985.5-84.657.3000114.2
1510Q21.2Very low22.9Very low189 Ų189156.6 Ų156.688%0.88382%0.816SS**  -173.7161.8120.6-103-176.126.800113.9
1511N21.9Very low22.8Very low149 Ų149152.5 Ų152.580%0.79781%0.81SS**  trans-56.2157.3178.5-57-53.4000114.8
1512S21.9Very low22.5Very low125 Ų125150.3 Ų150.387%0.87480%0.801SS**  179.7160.7107.445.80000113.7
1513H24.4Very low22.5Very low167 Ų167150.3 Ų150.377%0.77380%0.795SS**  trans-91.6157.6-177.6-111.1-59.5000112.4
1514N22.1Very low22.8Very low129 Ų129145.8 Ų145.869%0.6978%0.78SS**  trans60.1110.3144.6-64.5-12.8000120.2
1515K22.9Very low22.9Very low188 Ų188143 Ų14382%0.81777%0.774SS**  39.6134.1114.8-79.5-173.7174-178.50119.9
1516T22Very low23.4Very low130 Ų130142.9 Ų142.980%0.79877%0.769SS**  trans63.6101.3151.153.80000117
1517N21.1Very low23.9Very low154 Ų154139.4 Ų139.482%0.82476%0.757SS**  -154.6171.499.6-135-15.8000113.9
1518N20.9Very low24.3Very low128 Ų128139 Ų13968%0.68475%0.746SS**  trans-75165177.7-59.5-55.9000113.7
1519N22.6Very low24.5Very low146 Ų146139.7 Ų139.778%0.78174%0.741SS**  trans69.7163142.9-72.3-3.2000120.1
1520S22.9Very low24.8Very low104 Ų104136.4 Ų136.473%0.72773%0.73SS**  trans86.2101.6176.5-33.50000111.6
1521I23Very low25.1Very low158 Ų158134.8 Ų134.881%0.8173%0.728SS**  69.6141.463.2-62170.9000110.8
1522S23.6Very low25.2Very low99 Ų99131 Ų13169%0.69272%0.724SS**  trans81.9135.1172.6-77.50000116.2
1523K23Very low25.6Very low155 Ų155132.1 Ų132.167%0.67472%0.72SS**  cis177.1172.2-17.8-130.2169.7145.1-82.10107.2
1524D30.2Very low25.8Very low107 Ų107131.8 Ų131.857%0.57272%0.724SS**  trans66.1145.4151.5-55.3-10.9000116.1
1525D30.6Very low26.1Very low133 Ų133129.5 Ų129.571%0.71173%0.731SS**  cis-149.7160-21.6-75.2-35.3000104.5
1526D32.1Very low26.4Very low123 Ų123127.7 Ų127.766%0.65873%0.73SS**  cis-153-179.22.7-139.8-29000111
1527D33.5Very low26.6Very low122 Ų122127.7 Ų127.765%0.65273%0.725SS**  trans57.5120158.5-66.8-39.3000121.5
1528N27.1Very low26.8Very low118 Ų118127 Ų12763%0.63172%0.722SS**  66.8139.255.4-56.6-43.7000112.3
1529N25.7Very low26.9Very low123 Ų123127.9 Ų127.966%0.65873%0.727SS**  cis-169.6175.7-15.4-117.46.7000108.7
1530D27.6Very low26.9Very low118 Ų118130.4 Ų130.463%0.63173%0.727SS**  trans62.4116.3145-58.1-13000121.2
1531D27.8Very low26.9Very low155 Ų155130.4 Ų130.483%0.82972%0.722SS**  72132.8121.2-58.1-17.8000122.6
1532G24.9Very low26.9Very low70 Ų70128 Ų12872%0.72272%0.72SS**  137.8105.512000000116.7
1533D29.3Very low26.9Very low148 Ų148132.1 Ų132.179%0.79173%0.728SS**  trans49.8121.9142.5-69.60.9000122.4
1534D28.8Very low27Very low159 Ų159131.3 Ų131.385%0.8574%0.74SS**  47.6130.8121-61.4-7.6000121.1
1535G28.3Very low26.8Very low82 Ų82133 Ų13385%0.84575%0.749SS**  trans167.469168.800000115.8
1536D28.6Very low26.7Very low149 Ų149134.9 Ų134.980%0.79776%0.757SS**  trans-34.8159.1168.5-78.9-34.4000119.1
1537N26.7Very low26.4Very low130 Ų130131.6 Ų131.670%0.69575%0.753SS**  trans78.7107.2147.8-66.3-32.3000120.6
1538D24.9Very low26.1Very low139 Ų139135.6 Ų135.674%0.74376%0.764SS**  42.398.7112.9-64-5000118
1539N23.5Very low26Very low148 Ų148136.6 Ų136.679%0.79178%0.775SS**  -169.8153.2126.9-103.9-54.5000113.5
1540Y22.6Very low25.9Very low199 Ų199137.7 Ų137.778%0.7878%0.78SS**  trans63.7125.7148-94.4-109.2000122
1541T22.4Very low25.7Very low103 Ų103139.3 Ų139.363%0.63279%0.787SS**  trans46.2115.7136.856.40000120.9
1542S23.7Very low26.5Very low108 Ų108137 Ų13776%0.75578%0.781SS**  trans31.8112131.863.80000119.2
1543E22.5Very low26.7Very low185 Ų185140.5 Ų140.586%0.86479%0.788SS**  trans-143.8123.6140.1-121.5163.9-159.600110.5
1544C25.6Very low26.4Very low139 Ų139141.6 Ų141.694%0.93979%0.788SS**  trans-10297.2166.3-810000106.9
1545D26.8Very low26.1Very low141 Ų141139.1 Ų139.175%0.75478%0.783SS**  trans-114.798.6179.7-151.39.8000110.8
1546I28.8Very low25.8Very low173 Ų173141.4 Ų141.489%0.88778%0.781SS**  trans-10996.8167-66.3179.8000107.1
1547G24.5Very low25.6Very low54 Ų54139.3 Ų139.356%0.55778%0.778SS**  trans-81.8152-178.600000115
1548K27Very low25.4Very low206 Ų206140.4 Ų140.490%0.89678%0.782SS**  trans82.598.1142.8-58.6172.4-175.91730118.3
1549T26.1Very low25.2Very low140 Ų140139.4 Ų139.486%0.85978%0.781SS**  trans-141.9131.9140.2-36.50000110.8
1550L24.5Very low25.1Very low146 Ų146137.5 Ų137.576%0.76478%0.775SS**  trans-24.4120.4-179.6-64.8116.9000121.8
1551I23.1Very low25.2Very low151 Ų151134.4 Ų134.477%0.77477%0.772SS**  43.6140.8106.9-56.3170.6000118.9
1552P43.7Very low25.2Very low107 Ų107140 Ų14070%0.69578%0.782SS**  cis-139.7165.3-27.739.6-21000115.7
1553T28.4Very low25.2Very low143 Ų143140 Ų14088%0.87778%0.782SS**  trans-144.8153.3156.144.40000112.9
1554H23.4Very low25.2Very low172 Ų172135.9 Ų135.980%0.79677%0.773SS**  trans-85.6168.6-168.7-71-106000115.2
1555S22.3Very low25.2Very low106 Ų106135.5 Ų135.574%0.74177%0.767SS**  trans64.7137.2149.250.10000119.4
1556T22Very low25.1Very low131 Ų131134.5 Ų134.580%0.80477%0.771SS**  cis165.5106.5-20.929.60000105.6
1557S24.9Very low24.8Very low105 Ų105133.7 Ų133.773%0.73477%0.768SS**  trans166.8122.915251.90000108.8
1558I21.6Very low24.7Very low153 Ų153135.6 Ų135.679%0.78577%0.773SS**  65.2115.760.3-59.3170.7000108.4
1559T22.4Very low24.5Very low117 Ų117132.7 Ų132.772%0.71877%0.767SS**  cis-157.816318.91.80000114
1560T21.2Very low24.8Very low108 Ų108137.2 Ų137.266%0.66377%0.77SS**  trans-5.5131150.954.70000120.2
1561D24Very low24.8Very low135 Ų135137.4 Ų137.472%0.72277%0.772SS**  176.712598.6-94.2-36000109.4
1562R21.9Very low24.9Very low220 Ų220140.3 Ų140.383%0.8378%0.775SS**  82.8126.679.8-113.3-176.4179.3-172.90.5114.6
1563S24.4Very low24.3Very low108 Ų108142.8 Ų142.876%0.75578%0.782SS**  trans60.7157.3162.334.30000118.1
1564S23.4Very low24.2Very low99 Ų99142.1 Ų142.169%0.69277%0.773SS**  cis-177.3144-34.348.90000107.3
1565T24.7Very low24.7Very low131 Ų131143.4 Ų143.480%0.80477%0.772SS**  trans18.3117.4151.255.70000119.9
1566S24.2Very low24.9Very low119 Ų119144.4 Ų144.483%0.83277%0.77SS**  -176.7150.6120.854.60000113.2
1567N22.2Very low25.5Very low157 Ų157144.9 Ų144.984%0.8477%0.767SS**  trans-64.3151.7162-54.2-38.9000110.7
1568S22.5Very low25.5Very low93 Ų93149.2 Ų149.265%0.6577%0.767SS**  166.2139114.858.50000111.4
1569D23.3Very low25.7Very low146 Ų146149.5 Ų149.578%0.78177%0.769SS**  trans25.8118.9142.1-47.7-30.8000119.1
1570Y32.3Very low25.9Very low235 Ų235148.9 Ų148.992%0.92277%0.765SS**  trans-133.1133.3142.5-92.7-76.7000110.8
1571D25.7Very low25.9Very low150 Ų150152 Ų15280%0.80277%0.772SS**  trans-75.9-179.7-177.6-105.2-54000113.2
1572Y23.3Very low26Very low211 Ų211151.9 Ų151.983%0.82778%0.78SS**  trans-30.6140.5159.2-91.3-109.1000114.7
1573D32.1Very low26Very low159 Ų159147.2 Ų147.285%0.8578%0.777SS**  trans-140.7141.9133.9-106.9-34.1000111.4
1574D26.6Very low26.3Very low129 Ų129149 Ų14969%0.6978%0.783SS**  trans-89.4133-179.6176.323.4000109.6
1575Y33.6Very low26.2Very low199 Ų199153.2 Ų153.278%0.7879%0.792SS**  trans-145.488.6167.1-102.5-80000111.8D1577Y1575-D1577 VanDerWaalsContact C-N 3.32Å; Y1575-D1577 PolarHBondContact O-N 3.09Å; Y1575-D1577 VanDerWaalsContact O-N 3.12Å
1576D26.7Very low26.2Very low127 Ų127154.7 Ų154.768%0.67980%0.795SS**  trans-73.179.3163-175.132.3000110R1578D1576-R1578 PolarHBondContact O-N 3.06Å
1577D34.5Very low26.2Very low141 Ų141155 Ų15575%0.75479%0.792SS**  trans-84.3102.2-177.6-124.8-0.5000111.8Y1575Y1575-D1577 VanDerWaalsContact C-N 3.32Å; Y1575-D1577 PolarHBondContact O-N 3.09Å; Y1575-D1577 VanDerWaalsContact O-N 3.12Å
1578R25.1Very low26.4Very low196 Ų196153.3 Ų153.374%0.7479%0.792SS**  trans-74.3-179.8166.4-61.4178.5-179.8-174.90.3110.8D1576D1576-R1578 PolarHBondContact O-N 3.06Å
1579I26.3Very low26.3Very low159 Ų159157.3 Ų157.382%0.81580%0.801SS**  trans84.7134159.6-57.6169.2000113.8
1580T25.8Very low26.5Very low104 Ų104160.1 Ų160.164%0.63880%0.802SS**  cis179.8131-16.6-83.20000102.4
1581E22.1Very low26.1Very low174 Ų174153.9 Ų153.981%0.81379%0.788SS**  trans25.9108.3142.2-141.1165.8-143.300118.3
1582C25.8Very low26.2Very low132 Ų132154.1 Ų154.189%0.89278%0.782SS**  trans-130113.3155.5-87.60000109.4
1583T22.3Very low26.2Very low123 Ų123152.2 Ų152.276%0.75578%0.778SS**  trans-77144.3173.344.90000110.7
1584T30.3Very low25.7Very low144 Ų144154.7 Ų154.788%0.88378%0.776SS**  trans-161.897.4147.519.60000108.4
1585E20.5Very low25.6Very low189 Ų189153.6 Ų153.688%0.88377%0.774SS**  trans-74.1135.5152.2-59.1177.6137.100106.9
1586D26.2Very low25.1Very low162 Ų162150.1 Ų150.187%0.86677%0.774SS**  trans-161.6154.8135.4-126.9-30.6000113.7
1587T23.2Very low25.1Very low125 Ų125152.8 Ų152.877%0.76778%0.779SS**  trans-109.8140.5-173.754.10000111.8
1588S26.1Very low24.7Very low122 Ų122152.6 Ų152.685%0.85378%0.778SS**  trans-168.8134.6146.228.90000114.4
1589E21.7Very low24.9Very low176 Ų176150.5 Ų150.582%0.82278%0.781SS**  trans-44151.9154.7-51174.7118.300113.5
1590Y26.4Very low24.8Very low206 Ų206152.8 Ų152.881%0.80879%0.786SS**  -158.1153.9121-124.7-84.4000113.7
1591T23.6Very low24.8Very low104 Ų104154.2 Ų154.264%0.63880%0.796SS**  trans-96156-174.3540000113.1
1592K27.3Very low24.9Very low155 Ų155157.3 Ų157.367%0.67480%0.801SS**  167.4124.1121.2-88.8152.9-166.7163.80117.1
1593K24.2Very low24.7Very low171 Ų171161.9 Ų161.974%0.74380%0.799SS**  65.3123.1123.7-66.6-178.3179.5178.90123.3
1594R22.2Very low24.9Very low210 Ų210163.5 Ų163.579%0.79280%0.801SS**  94109.5117.5-84.6-168.5172.6-170.5-3.1123
1595T23.4Very low24.5Very low107 Ų107161.9 Ų161.966%0.65680%0.796SS**  70.8118.3121.559.20000123.8
1596T24Very low24.9Very low126 Ų126159 Ų15977%0.77379%0.792SS**  86.5135.7126.655.20000123.8
1597K26.4Very low24.8Very low183 Ų183163 Ų16380%0.79680%0.795SS**  trans89.6107.1149.6-79.2176.7179.9-179.40121.1
1598N26.6Very low25.1Very low137 Ų137166.3 Ų166.373%0.73380%0.802SS**  75.3134.8127.4-67.89.1000123.1
1599N27.6Very low25.3Very low151 Ų151167.7 Ų167.781%0.80780%0.799SS**  trans74116153.5-66.9-3.3000120
1600K25.8Very low26Very low208 Ų208167.8 Ų167.890%0.90480%0.799SS**  trans-88.6137.1177.4-55.4166.7178.9175.70110.4
1601P25.3Very low26.4Very low133 Ų133164.9 Ų164.986%0.86480%0.797SS**  trans-106.8177.1145.733.3-26.1000111.4
1602R23.8Very low27.2Very low239 Ų239165.2 Ų165.290%0.90280%0.804SS**  trans-114.9147.8-156.4-164.4-179.4-173.4-176.41.1111.8
1603R22.7Very low28Very low229 Ų229167.1 Ų167.186%0.86482%0.815SS**  trans-13.2133.1165.9-66.9175.2169.7171.1-4.8117.6
1604I25.4Very low29.2Very low156 Ų156163.9 Ų163.980%0.881%0.814SS**  -174.8118.9111.4-85.9148.1000104.4
1605S22.9Very low31.1Very low111 Ų111157.3 Ų157.378%0.77680%0.798SS**  cis77.16649.8-171.30000114.8
1606T28.8Very low33.7Very low129 Ų129154.8 Ų154.879%0.79179%0.785SS**  trans-131.5114.3155.344.30000111.2
1607R23.4Very low36.4Very low245 Ų245155.5 Ų155.593%0.92578%0.784SS**  trans-0.8119.1158.7-65.6173.7170179.3-5.8117.1
1608Q30.3Very low39.3Very low195 Ų195152.9 Ų152.991%0.91178%0.778SS**  trans-123.7143.8138.9-79.6-175.7-31.800108.6
1609N29.6Very low42.1Very low150 Ų150151.4 Ų151.480%0.80277%0.767SS**  trans-70.2143.4170.8-58.7-37.6000108.7
1610H35.4Very low44.8Very low178 Ų178148.7 Ų148.782%0.82475%0.752SS**  trans-176.5122132.4-94.6-65.8000110.2
1611L35.6Very low47.7Very low146 Ų146141.3 Ų141.376%0.76473%0.729SS**  trans25.1101.8149.9-65.1159.3000119.3E1613L1611-E1613 PolarHBondContact O-N 3.14Å
1612S40.6Very low50.8Low111 Ų111141.7 Ų141.778%0.77672%0.72SS**  trans20.191.4136.357.20000118.2S1614S1612-S1614 PolarHBondContact O-N 3.41Å
1613E43.8Very low53.8Low194 Ų194136.8 Ų136.891%0.90771%0.705SS**PPolyproline II helixtrans-68.8121.6158.1-67.9178.6151.800109.2L1611L1611-E1613 PolarHBondContact O-N 3.14Å
1614S48.6Very low57Low103 Ų103130.3 Ų130.372%0.7269%0.687SS**PPolyproline II helixtrans-66.5145.3168.440.60000110S1612 S1616S1612-S1614 PolarHBondContact O-N 3.41Å; S1614-S1616 PolarHBondContact O-N 3.11Å
1615P62.3Low60.1Low72 Ų72129.9 Ų129.947%0.46868%0.682SS.*PPolyproline II helixtrans-61.4132.1-179.526.1-34.1000109.9Q1619 L1620P1615-Q1619 HydrophobicContact CB-CB 4.45Å; P1615-L1620 HydrophobicContact CB-CG 4.41Å; P1615-L1620 HydrophobicContact CG-CD1 4.23Å; P1615-L1620 HydrophobicContact CG-CG 4.24Å
1616S78.1Confident63.3Low54 Ų54130.7 Ų130.738%0.37867%0.673SS.*PPolyproline II helixtrans-61.5155-179.866.50000111S1614 D1618 Q1619 L1620S1614-S1616 PolarHBondContact O-N 3.11Å; S1616-D1618 PolarHBondContact O-N 3.37Å; S1616-D1618 VanDerWaalsContact O-N 3.15Å; S1616-Q1619 WeakPolarHBondContact O-CB 3.3Å; S1616-Q1619 PolarHBondContact O-N 3Å; S1616-Q1619 WeakPolarHBondContact OG-CG 3.47Å; S1616-Q1619 PolarHBondContact OG-N 3.38Å; S1616-L1620 PolarHBondContact O-N 3.11Å
1617L81.4Confident66.2Low142 Ų142129.7 Ų129.774%0.74366%0.662SS**Hα-helixtrans-54.6-36.5179.2-175.262.5000111.8L1620 A1621L1617-L1620 PolarHBondContact O-N 3.44Å; L1617-A1621 WeakPolarHBondContact O-CB 3.4Å; L1617-A1621 PolarHBondContact O-N 3.39Å
1618D87.7Confident69.5Low127 Ų127124.4 Ų124.468%0.67965%0.646SS**Hα-helixtrans-65.6-42.1176.1-58-43.1000112.6S1616 L1620 A1621 E1622S1616-D1618 PolarHBondContact O-N 3.37Å; S1616-D1618 VanDerWaalsContact O-N 3.15Å; D1618-L1620 VanDerWaalsContact C-N 3.3Å; D1618-L1620 PolarHBondContact O-N 2.74Å; D1618-A1621 PolarHBondContact O-N 3.4Å; D1618-E1622 WeakPolarHBondContact O-CB 3.46Å; D1618-E1622 PolarHBondContact O-N 3.07Å
1619Q84.8Confident72.5Confident107 Ų107122 Ų12250%0.563%0.632SS.*Hα-helixtrans-64.5-35.3175-72.4171.5-1.800112.1P1615 S1616 K1623P1615-Q1619 HydrophobicContact CB-CB 4.45Å; S1616-Q1619 WeakPolarHBondContact O-CB 3.3Å; S1616-Q1619 PolarHBondContact O-N 3Å; S1616-Q1619 WeakPolarHBondContact OG-CG 3.47Å; S1616-Q1619 PolarHBondContact OG-N 3.38Å; Q1619-K1623 WeakPolarHBondContact O-CB 3.09Å; Q1619-K1623 PolarHBondContact O-N 3.14Å
1620L84.6Confident75.1Confident93 Ų93120.3 Ų120.349%0.48762%0.622SS.*Hα-helixtrans-69.8-40173.7-82.7164.8000111.8P1615 S1616 L1617 D1618 L1624P1615-L1620 HydrophobicContact CB-CG 4.41Å; P1615-L1620 HydrophobicContact CG-CD1 4.23Å; P1615-L1620 HydrophobicContact CG-CG 4.24Å; S1616-L1620 PolarHBondContact O-N 3.11Å; L1617-L1620 PolarHBondContact O-N 3.44Å; D1618-L1620 VanDerWaalsContact C-N 3.3Å; D1618-L1620 PolarHBondContact O-N 2.74Å; L1620-L1624 WeakPolarHBondContact O-CB 2.94Å; L1620-L1624 PolarHBondContact O-N 2.98Å
1621A87.4Confident77.8Confident53 Ų53117.3 Ų117.344%0.43861%0.611SS.*Hα-helixtrans-64.9-41.817500000112L1617 D1618 L1624 Q1625L1617-A1621 WeakPolarHBondContact O-CB 3.4Å; L1617-A1621 PolarHBondContact O-N 3.39Å; D1618-A1621 PolarHBondContact O-N 3.4Å; A1621-L1624 WeakPolarHBondContact O-CB 3.18Å; A1621-L1624 PolarHBondContact O-N 3.44Å; A1621-Q1625 PolarHBondContact O-N 3.47Å
1622E89.4Confident80.4Confident141 Ų141116.4 Ų116.466%0.65960%0.603SS**Hα-helixtrans-65.3-45.5177.3-165.6170.7-141.200111.3D1618 L1624 Q1625 E1626D1618-E1622 WeakPolarHBondContact O-CB 3.46Å; D1618-E1622 PolarHBondContact O-N 3.07Å; E1622-L1624 VanDerWaalsContact C-N 3.34Å; E1622-L1624 PolarHBondContact O-N 2.8Å; E1622-Q1625 WeakPolarHBondContact O-CB 3.27Å; E1622-Q1625 PolarHBondContact O-N 3.41Å; E1622-Q1625 VanDerWaalsContact O-N 3.13Å; E1622-E1626 PolarHBondContact O-N 3.38Å
1623K87.7Confident82.9Confident137 Ų137115.9 Ų115.960%0.59659%0.591SS**Hα-helixtrans-59.9-39.4171-83.7-172.7172.3-176.50113.3Q1619 Q1625 E1626 L1627Q1619-K1623 WeakPolarHBondContact O-CB 3.09Å; Q1619-K1623 PolarHBondContact O-N 3.14Å; K1623-Q1625 VanDerWaalsContact C-N 3.29Å; K1623-Q1625 PolarHBondContact O-N 2.75Å; K1623-E1626 PolarHBondContact O-N 3.44Å; K1623-L1627 WeakPolarHBondContact O-CB 3.43Å; K1623-L1627 PolarHBondContact O-N 3.47Å
1624L89.9Confident85Confident93 Ų93112.3 Ų112.349%0.48757%0.574SS.*Hα-helixtrans-64.9-36.3176.1-174.471.4000111.3L1620 A1621 E1622 K1628L1620-L1624 WeakPolarHBondContact O-CB 2.94Å; L1620-L1624 PolarHBondContact O-N 2.98Å; A1621-L1624 WeakPolarHBondContact O-CB 3.18Å; A1621-L1624 PolarHBondContact O-N 3.44Å; E1622-L1624 VanDerWaalsContact C-N 3.34Å; E1622-L1624 PolarHBondContact O-N 2.8Å; L1624-K1628 WeakPolarHBondContact O-CB 3.32Å; L1624-K1628 VanDerWaalsContact O-CG 3.28Å; L1624-K1628 WeakPolarHBondContact O-CG 3.45Å; L1624-K1628 PolarHBondContact O-N 2.79Å
1625Q90.3Very high87.1Confident146 Ų146114 Ų11468%0.68257%0.565SS**Hα-helixtrans-70.7-38.3176.1-169.1170.5-1.700111.9A1621 E1622 K1623 K1628 K1629A1621-Q1625 PolarHBondContact O-N 3.47Å; E1622-Q1625 WeakPolarHBondContact O-CB 3.27Å; E1622-Q1625 PolarHBondContact O-N 3.41Å; E1622-Q1625 VanDerWaalsContact O-N 3.13Å; K1623-Q1625 VanDerWaalsContact C-N 3.29Å; K1623-Q1625 PolarHBondContact O-N 2.75Å; Q1625-K1628 PolarHBondContact O-N 2.69Å; Q1625-K1629 PolarHBondContact O-N 3.39Å
1626E90.4Very high88.5Confident128 Ų128115.8 Ų115.860%0.59857%0.567SS**Hα-helixtrans-63.6-47.1173.1-170.6172.4-146.600111.9E1622 K1623 K1628 K1629 M1630E1622-E1626 PolarHBondContact O-N 3.38Å; K1623-E1626 PolarHBondContact O-N 3.44Å; E1626-K1628 PolarHBondContact O-N 2.98Å; E1626-K1629 WeakPolarHBondContact O-CB 3.46Å; E1626-K1629 PolarHBondContact O-N 3.49Å; E1626-K1629 VanDerWaalsContact O-N 3.17Å; E1626-M1630 PolarHBondContact O-N 3.16Å
1627L89.2Confident89.2Confident108 Ų108119.4 Ų119.457%0.56558%0.578SS**Hα-helixtrans-60.1-42.4174.8-80.8166.3000112.7K1623 K1629 M1630 L1631K1623-L1627 WeakPolarHBondContact O-CB 3.43Å; K1623-L1627 PolarHBondContact O-N 3.47Å; L1627-K1629 VanDerWaalsContact C-N 3.32Å; L1627-K1629 PolarHBondContact O-N 3.36Å; L1627-M1630 PolarHBondContact O-N 2.94Å; L1627-L1631 PolarHBondContact O-N 3.32Å
1628K91.9Very high89.7Confident134 Ų134117.4 Ų117.458%0.58357%0.567SS**Hα-helixtrans-60.8-40.8174.7-78.2172179.5175.90112L1624 Q1625 E1626 Q1632L1624-K1628 WeakPolarHBondContact O-CB 3.32Å; L1624-K1628 VanDerWaalsContact O-CG 3.28Å; L1624-K1628 WeakPolarHBondContact O-CG 3.45Å; L1624-K1628 PolarHBondContact O-N 2.79Å; Q1625-K1628 PolarHBondContact O-N 2.69Å; E1626-K1628 PolarHBondContact O-N 2.98Å; K1628-Q1632 WeakPolarHBondContact O-CB 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.19Å; K1628-Q1632 VanDerWaalsContact O-N 3.09Å
1629K93Very high90Very high144 Ų144115.9 Ų115.963%0.62656%0.555SS**Hα-helixtrans-66.9-39.9177-171.8-178.6178.6-173.80111.8Q1625 E1626 L1627 Q1632 L1633Q1625-K1629 PolarHBondContact O-N 3.39Å; E1626-K1629 WeakPolarHBondContact O-CB 3.46Å; E1626-K1629 PolarHBondContact O-N 3.49Å; E1626-K1629 VanDerWaalsContact O-N 3.17Å; L1627-K1629 VanDerWaalsContact C-N 3.32Å; L1627-K1629 PolarHBondContact O-N 3.36Å; K1629-Q1632 PolarHBondContact O-N 3.49Å; K1629-L1633 WeakPolarHBondContact O-CG 3.13Å; K1629-L1633 PolarHBondContact O-N 2.79Å; K1629-L1633 VanDerWaalsContact O-N 3.1Å
1630M86Confident90.4Very high116 Ų116117.9 Ų117.957%0.57157%0.565SS**Hα-helixtrans-62.9-48.6177-166.4-176.7-67.800111.7E1626 L1627 Q1632 L1633 E1634E1626-M1630 PolarHBondContact O-N 3.16Å; L1627-M1630 PolarHBondContact O-N 2.94Å; M1630-Q1632 VanDerWaalsContact C-N 3.26Å; M1630-Q1632 PolarHBondContact O-N 3.27Å; M1630-L1633 WeakPolarHBondContact O-CB 3.49Å; M1630-L1633 PolarHBondContact O-N 3.1Å; M1630-L1633 VanDerWaalsContact O-N 3.12Å; M1630-E1634 PolarHBondContact O-N 3.44Å
1631L92.1Very high90.8Very high114 Ų114116.4 Ų116.460%0.59756%0.56SS**Hα-helixtrans-62.1-34.8176.8-162.9159.9000111.7L1627 R1635L1627-L1631 PolarHBondContact O-N 3.32Å; L1631-R1635 WeakPolarHBondContact O-CB 3.24Å; L1631-R1635 PolarHBondContact O-N 2.88Å
1632Q89.3Confident91.1Very high127 Ų127117.9 Ų117.959%0.59356%0.563SS**Hα-helixtrans-68.9-33.5175.8-167.9167.77.200113.2K1628 K1629 M1630 Q1636K1628-Q1632 WeakPolarHBondContact O-CB 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.19Å; K1628-Q1632 VanDerWaalsContact O-N 3.09Å; K1629-Q1632 PolarHBondContact O-N 3.49Å; M1630-Q1632 VanDerWaalsContact C-N 3.26Å; M1630-Q1632 PolarHBondContact O-N 3.27Å; Q1632-Q1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-Q1636 PolarHBondContact O-N 3.05Å
1633L92.2Very high91.3Very high101 Ų101113.8 Ų113.853%0.52955%0.553SS.*Hα-helixtrans-70-46.2172.6-71.4168000111.6K1629 M1630 R1635 Q1636 E1637K1629-L1633 WeakPolarHBondContact O-CG 3.13Å; K1629-L1633 PolarHBondContact O-N 2.79Å; K1629-L1633 VanDerWaalsContact O-N 3.1Å; M1630-L1633 WeakPolarHBondContact O-CB 3.49Å; M1630-L1633 PolarHBondContact O-N 3.1Å; M1630-L1633 VanDerWaalsContact O-N 3.12Å; L1633-R1635 VanDerWaalsContact C-N 3.26Å; L1633-R1635 PolarHBondContact O-N 3.46Å; L1633-Q1636 WeakPolarHBondContact O-CB 3.33Å; L1633-Q1636 PolarHBondContact O-N 3.41Å; L1633-E1637 PolarHBondContact O-N 2.86Å
1634E89.3Confident91.6Very high119 Ų119110.9 Ų110.956%0.55655%0.55SS*.Hα-helixtrans-58.9-39.7176.4-172-179.6-168.700111.4M1630 Q1636 E1637 I1638M1630-E1634 PolarHBondContact O-N 3.44Å; E1634-Q1636 VanDerWaalsContact C-N 3.33Å; E1634-Q1636 PolarHBondContact O-N 2.89Å; E1634-E1637 PolarHBondContact O-N 3.31Å; E1634-I1638 HydrophobicContact CG-CD1 4.28Å; E1634-I1638 VanDerWaalsContact O-CG1 3.31Å; E1634-I1638 WeakPolarHBondContact O-CG1 3.43Å; E1634-I1638 PolarHBondContact O-N 3.11Å
1635R91.9Very high91.7Very high138 Ų138112.7 Ų112.752%0.52155%0.554SS.*Hα-helixtrans-62.3-36.9173.8-170-178.8176.5-65-17.1112.7L1631 L1633 E1639L1631-R1635 WeakPolarHBondContact O-CB 3.24Å; L1631-R1635 PolarHBondContact O-N 2.88Å; L1633-R1635 VanDerWaalsContact C-N 3.26Å; L1633-R1635 PolarHBondContact O-N 3.46Å; R1635-E1639 IonicContact CZ-OE1 3Å; R1635-E1639 IonicContact NH1-OE1 3.26Å; R1635-E1639 PolarHBondContact NH1-OE1 3.05Å; R1635-E1639 IonicContact NH1-OE2 2.77Å; R1635-E1639 PolarHBondContact NH1-OE2 2.7Å; R1635-E1639 IonicContact NH2-OE1 3.26Å; R1635-E1639 PolarHBondContact NH2-OE1 3.15Å; R1635-E1639 WeakPolarHBondContact O-CG 3.4Å; R1635-E1639 PolarHBondContact O-N 3Å; R1635-E1639 VanDerWaalsContact O-N 3.1Å
1636Q90.9Very high91.8Very high109 Ų109108.8 Ų108.851%0.50954%0.54SS..Hα-helixtrans-69.5-42.2176.1-76178.1-26.300111.9Q1632 L1633 E1634 I1638 E1639 E1640Q1632-Q1636 WeakPolarHBondContact O-CG 3.43Å; Q1632-Q1636 PolarHBondContact O-N 3.05Å; L1633-Q1636 WeakPolarHBondContact O-CB 3.33Å; L1633-Q1636 PolarHBondContact O-N 3.41Å; E1634-Q1636 VanDerWaalsContact C-N 3.33Å; E1634-Q1636 PolarHBondContact O-N 2.89Å; Q1636-I1638 VanDerWaalsContact C-N 3.32Å; Q1636-I1638 PolarHBondContact O-N 3.1Å; Q1636-E1639 PolarHBondContact O-N 3.29Å; Q1636-E1640 PolarHBondContact O-N 3.11Å
1637E93.6Very high92Very high131 Ų131106.9 Ų106.961%0.61253%0.531SS*.Hα-helixtrans-61.1-41.7175.9-172.4178.5173.600111.4L1633 E1634 E1639 E1640 V1641L1633-E1637 PolarHBondContact O-N 2.86Å; E1634-E1637 PolarHBondContact O-N 3.31Å; E1637-E1639 PolarHBondContact O-N 2.97Å; E1637-E1640 PolarHBondContact O-N 2.81Å; E1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; E1637-V1641 PolarHBondContact O-N 3.01Å
1638I91.4Very high92.2Very high99 Ų99105.1 Ų105.151%0.50853%0.525SS..Hα-helixtrans-62.1-43.1174-67.9166.5000111.3E1634 Q1636 V1641 V1642E1634-I1638 HydrophobicContact CG-CD1 4.28Å; E1634-I1638 VanDerWaalsContact O-CG1 3.31Å; E1634-I1638 WeakPolarHBondContact O-CG1 3.43Å; E1634-I1638 PolarHBondContact O-N 3.11Å; Q1636-I1638 VanDerWaalsContact C-N 3.32Å; Q1636-I1638 PolarHBondContact O-N 3.1Å; I1638-V1641 PolarHBondContact O-N 3.12Å; I1638-V1642 WeakPolarHBondContact O-CB 3.36Å; I1638-V1642 VanDerWaalsContact O-CG2 3.28Å; I1638-V1642 WeakPolarHBondContact O-CG2 3.26Å; I1638-V1642 PolarHBondContact O-N 2.85Å
1639E93.7Very high92Very high95 Ų95102.7 Ų102.744%0.44452%0.517SS..Hα-helixtrans-63-40.2176.6-77.3178.7157.900112R1635 Q1636 E1637 V1642 A1643R1635-E1639 IonicContact CZ-OE1 3Å; R1635-E1639 IonicContact NH1-OE1 3.26Å; R1635-E1639 PolarHBondContact NH1-OE1 3.05Å; R1635-E1639 IonicContact NH1-OE2 2.77Å; R1635-E1639 PolarHBondContact NH1-OE2 2.7Å; R1635-E1639 IonicContact NH2-OE1 3.26Å; R1635-E1639 PolarHBondContact NH2-OE1 3.15Å; R1635-E1639 WeakPolarHBondContact O-CG 3.4Å; R1635-E1639 PolarHBondContact O-N 3Å; R1635-E1639 VanDerWaalsContact O-N 3.1Å; Q1636-E1639 PolarHBondContact O-N 3.29Å; E1637-E1639 PolarHBondContact O-N 2.97Å; E1639-V1642 PolarHBondContact O-N 3.27Å; E1639-A1643 WeakPolarHBondContact O-CB 3.31Å; E1639-A1643 PolarHBondContact O-N 3.24Å
1640E94Very high92Very high149 Ų149101.1 Ų101.170%0.69651%0.51SS*.Hα-helixtrans-66.1-43.7175.7-172.5174.2-176.800112.4Q1636 E1637 V1642 A1643 S1644Q1636-E1640 PolarHBondContact O-N 3.11Å; E1637-E1640 PolarHBondContact O-N 2.81Å; E1640-V1642 VanDerWaalsContact C-N 3.3Å; E1640-V1642 PolarHBondContact O-N 3.5Å; E1640-A1643 PolarHBondContact O-N 3.37Å; E1640-S1644 WeakPolarHBondContact O-CB 3.49Å; E1640-S1644 PolarHBondContact O-N 3.21Å
1641V93.3Very high92.2Very high63 Ų63101.1 Ų101.138%0.38251%0.509SS..Hα-helixtrans-63.3-36.3176169.80000111.8E1637 I1638 K1645E1637-V1641 WeakPolarHBondContact O-CG2 3.28Å; E1637-V1641 PolarHBondContact O-N 3.01Å; I1638-V1641 PolarHBondContact O-N 3.12Å; V1641-K1645 HydrophobicContact CG1-CD 4.15Å; V1641-K1645 WeakPolarHBondContact O-CB 3.48Å; V1641-K1645 WeakPolarHBondContact O-CG 3.47Å; V1641-K1645 PolarHBondContact O-N 3.45Å; V1641-K1645 VanDerWaalsContact O-N 3.12Å
1642V94Very high92.1Very high83 Ų83101.4 Ų101.450%0.50351%0.507SS..Hα-helixtrans-70.5-41174.9170.10000111.4I1638 E1639 E1640 K1645 T1646I1638-V1642 WeakPolarHBondContact O-CB 3.36Å; I1638-V1642 VanDerWaalsContact O-CG2 3.28Å; I1638-V1642 WeakPolarHBondContact O-CG2 3.26Å; I1638-V1642 PolarHBondContact O-N 2.85Å; E1639-V1642 PolarHBondContact O-N 3.27Å; E1640-V1642 VanDerWaalsContact C-N 3.3Å; E1640-V1642 PolarHBondContact O-N 3.5Å; V1642-K1645 PolarHBondContact O-N 3.21Å; V1642-T1646 PolarHBondContact O-N 2.75Å; V1642-T1646 PolarHBondContact O-OG1 3.23Å
1643A93.1Very high92.3Very high55 Ų55100.5 Ų100.546%0.45550%0.503SS..Hα-helixtrans-61.9-46.917500000111.9E1639 E1640 K1645 T1646 E1647E1639-A1643 WeakPolarHBondContact O-CB 3.31Å; E1639-A1643 PolarHBondContact O-N 3.24Å; E1640-A1643 PolarHBondContact O-N 3.37Å; A1643-K1645 PolarHBondContact O-N 3.01Å; A1643-T1646 WeakPolarHBondContact CA-OG1 3.29Å; A1643-T1646 PolarHBondContact O-N 3.38Å; A1643-T1646 PolarHBondContact O-OG1 2.84Å; A1643-E1647 PolarHBondContact O-N 3.33Å
1644S94.2Very high92.3Very high76 Ų76103 Ų10353%0.53151%0.51SS..Hα-helixtrans-59.1-46.5176.7179.20000112.2E1640 E1647 V1648E1640-S1644 WeakPolarHBondContact O-CB 3.49Å; E1640-S1644 PolarHBondContact O-N 3.21Å; S1644-E1647 PolarHBondContact O-N 3.46Å; S1644-V1648 WeakPolarHBondContact O-CG2 3.34Å; S1644-V1648 PolarHBondContact O-N 3.04Å; S1644-V1648 VanDerWaalsContact O-N 3.13Å
1645K92.1Very high92.4Very high132 Ų132100.4 Ų100.457%0.57451%0.505SS*.Hα-helixtrans-66.6-38.6177.7-75.3171.8-177.8164.60113.3V1641 V1642 A1643 E1647 V1648 I1649V1641-K1645 HydrophobicContact CG1-CD 4.15Å; V1641-K1645 WeakPolarHBondContact O-CB 3.48Å; V1641-K1645 WeakPolarHBondContact O-CG 3.47Å; V1641-K1645 PolarHBondContact O-N 3.45Å; V1641-K1645 VanDerWaalsContact O-N 3.12Å; V1642-K1645 PolarHBondContact O-N 3.21Å; A1643-K1645 PolarHBondContact O-N 3.01Å; K1645-E1647 VanDerWaalsContact C-N 3.32Å; K1645-V1648 PolarHBondContact O-N 3.42Å; K1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; K1645-I1649 PolarHBondContact O-N 2.9Å
1646T92.5Very high92.3Very high63 Ų6398.4 Ų98.439%0.38750%0.503SS..Hα-helixtrans-67.9-32.717742.90000112.1V1642 A1643 I1649 K1650V1642-T1646 PolarHBondContact O-N 2.75Å; V1642-T1646 PolarHBondContact O-OG1 3.23Å; A1643-T1646 WeakPolarHBondContact CA-OG1 3.29Å; A1643-T1646 PolarHBondContact O-N 3.38Å; A1643-T1646 PolarHBondContact O-OG1 2.84Å; T1646-I1649 PolarHBondContact O-N 3.04Å; T1646-K1650 WeakPolarHBondContact O-CG 3.34Å; T1646-K1650 PolarHBondContact O-N 3.17Å; T1646-K1650 VanDerWaalsContact O-N 3.07Å
1647E93.9Very high92.3Very high88 Ų8899.3 Ų99.341%0.41151%0.508SS..Hα-helixtrans-69.3-39.6173.7-163.956.8-152.900112.6A1643 S1644 K1645 I1649 K1650 Q1651A1643-E1647 PolarHBondContact O-N 3.33Å; S1644-E1647 PolarHBondContact O-N 3.46Å; K1645-E1647 VanDerWaalsContact C-N 3.32Å; E1647-I1649 VanDerWaalsContact C-N 3.31Å; E1647-I1649 PolarHBondContact O-N 3.2Å; E1647-K1650 PolarHBondContact O-N 3.34Å; E1647-K1650 WeakPolarHBondContact OE2-CD 3.47Å; E1647-K1650 IonicContact OE2-NZ 3.61Å; E1647-K1650 PolarHBondContact OE2-NZ 3.36Å; E1647-Q1651 WeakPolarHBondContact O-CG 3.21Å; E1647-Q1651 PolarHBondContact O-N 2.92Å
1648V93.1Very high92.2Very high71 Ų7198.6 Ų98.643%0.4350%0.504SS..Hα-helixtrans-61.3-38.9172.2173.60000111.7S1644 K1645 Q1651 Q1652S1644-V1648 WeakPolarHBondContact O-CG2 3.34Å; S1644-V1648 PolarHBondContact O-N 3.04Å; S1644-V1648 VanDerWaalsContact O-N 3.13Å; K1645-V1648 PolarHBondContact O-N 3.42Å; V1648-Q1651 PolarHBondContact O-N 3.28Å; V1648-Q1652 WeakPolarHBondContact O-CG 3.33Å; V1648-Q1652 PolarHBondContact O-N 3.16Å; V1648-Q1652 VanDerWaalsContact O-N 3.1Å
1649I89.2Confident92Very high84 Ų8499.1 Ų99.143%0.43151%0.508SS..Hα-helixtrans-63.3-48.3176-69.8165.2000110.7K1645 T1646 E1647 Q1651 Q1652 E1653K1645-I1649 WeakPolarHBondContact O-CG1 3.39Å; K1645-I1649 PolarHBondContact O-N 2.9Å; T1646-I1649 PolarHBondContact O-N 3.04Å; E1647-I1649 VanDerWaalsContact C-N 3.31Å; E1647-I1649 PolarHBondContact O-N 3.2Å; I1649-Q1651 VanDerWaalsContact C-N 3.28Å; I1649-Q1651 PolarHBondContact O-N 2.86Å; I1649-Q1652 WeakPolarHBondContact O-CA 3.38Å; I1649-Q1652 WeakPolarHBondContact O-CB 3.37Å; I1649-Q1652 PolarHBondContact O-N 3.09Å; I1649-E1653 HydrophobicContact CG2-CG 4.38Å; I1649-E1653 WeakPolarHBondContact O-CG 3.43Å; I1649-E1653 PolarHBondContact O-N 2.94Å
1650K92.3Very high91.7Very high110 Ų110100.6 Ų100.648%0.47852%0.515SS..Hα-helixtrans-58-38.2176.2-68.3177-152.6154.10112.9T1646 E1647 Q1652 E1653 K1654T1646-K1650 WeakPolarHBondContact O-CG 3.34Å; T1646-K1650 PolarHBondContact O-N 3.17Å; T1646-K1650 VanDerWaalsContact O-N 3.07Å; E1647-K1650 PolarHBondContact O-N 3.34Å; E1647-K1650 WeakPolarHBondContact OE2-CD 3.47Å; E1647-K1650 IonicContact OE2-NZ 3.61Å; E1647-K1650 PolarHBondContact OE2-NZ 3.36Å; K1650-Q1652 VanDerWaalsContact C-N 3.34Å; K1650-E1653 PolarHBondContact O-N 2.88Å; K1650-K1654 WeakPolarHBondContact O-CB 3.13Å; K1650-K1654 PolarHBondContact O-N 3.17Å
1651Q90.5Very high91.2Very high117 Ų11796.9 Ų96.955%0.54751%0.505SS..Hα-helixtrans-65.9-36.2176.1-71.1178.416.600112.2E1647 V1648 I1649 S1655E1647-Q1651 WeakPolarHBondContact O-CG 3.21Å; E1647-Q1651 PolarHBondContact O-N 2.92Å; V1648-Q1651 PolarHBondContact O-N 3.28Å; I1649-Q1651 VanDerWaalsContact C-N 3.28Å; I1649-Q1651 PolarHBondContact O-N 2.86Å; Q1651-S1655 WeakPolarHBondContact O-CB 3.48Å; Q1651-S1655 PolarHBondContact O-N 3.47Å; Q1651-S1655 VanDerWaalsContact O-N 3.1Å; Q1651-S1655 PolarHBondContact O-OG 2.8Å
1652Q90.3Very high90.9Very high119 Ų11998.3 Ų98.356%0.55651%0.508SS*.Hα-helixtrans-68.9-43.8173.6-69.7177.66.700111.6V1648 I1649 K1650 S1655 I1656V1648-Q1652 WeakPolarHBondContact O-CG 3.33Å; V1648-Q1652 PolarHBondContact O-N 3.16Å; V1648-Q1652 VanDerWaalsContact O-N 3.1Å; I1649-Q1652 WeakPolarHBondContact O-CA 3.38Å; I1649-Q1652 WeakPolarHBondContact O-CB 3.37Å; I1649-Q1652 PolarHBondContact O-N 3.09Å; K1650-Q1652 VanDerWaalsContact C-N 3.34Å; Q1652-S1655 WeakPolarHBondContact O-CB 3.44Å; Q1652-S1655 PolarHBondContact O-N 3.49Å; Q1652-S1655 VanDerWaalsContact O-N 3.14Å; Q1652-I1656 WeakPolarHBondContact O-CG1 3.39Å; Q1652-I1656 PolarHBondContact O-N 3.48Å
1653E93.1Very high90.4Very high109 Ų10998.7 Ų98.751%0.50951%0.506SS..Hα-helixtrans-58.5-48.6175.6-70175.2149.800111.3I1649 K1650 S1655 I1656 E1657I1649-E1653 HydrophobicContact CG2-CG 4.38Å; I1649-E1653 WeakPolarHBondContact O-CG 3.43Å; I1649-E1653 PolarHBondContact O-N 2.94Å; K1650-E1653 PolarHBondContact O-N 2.88Å; E1653-S1655 VanDerWaalsContact C-N 3.26Å; E1653-S1655 PolarHBondContact O-N 2.79Å; E1653-I1656 WeakPolarHBondContact O-CA 3.29Å; E1653-I1656 WeakPolarHBondContact O-CB 3.23Å; E1653-I1656 PolarHBondContact O-N 2.98Å; E1653-E1657 PolarHBondContact O-N 3.29Å
1654K91.9Very high89.9Confident152 Ų15299.8 Ų99.866%0.66150%0.504SS*.Hα-helixtrans-60.3-33.7175.2-171.3175.9-177.51780113.3K1650 Q1658K1650-K1654 WeakPolarHBondContact O-CB 3.13Å; K1650-K1654 PolarHBondContact O-N 3.17Å; K1654-Q1658 PolarHBondContact O-N 3.49Å; K1654-Q1658 VanDerWaalsContact O-N 3.08Å
1655S91.6Very high89Confident66 Ų66102.9 Ų102.946%0.46251%0.511SS..Hα-helixtrans-70.4-34175.1-58.10000112.1Q1651 Q1652 E1653 L1659Q1651-S1655 WeakPolarHBondContact O-CB 3.48Å; Q1651-S1655 PolarHBondContact O-N 3.47Å; Q1651-S1655 VanDerWaalsContact O-N 3.1Å; Q1651-S1655 PolarHBondContact O-OG 2.8Å; Q1652-S1655 WeakPolarHBondContact O-CB 3.44Å; Q1652-S1655 PolarHBondContact O-N 3.49Å; Q1652-S1655 VanDerWaalsContact O-N 3.14Å; E1653-S1655 VanDerWaalsContact C-N 3.26Å; E1653-S1655 PolarHBondContact O-N 2.79Å; S1655-L1659 WeakPolarHBondContact O-CG 3.48Å; S1655-L1659 PolarHBondContact O-N 2.88Å
1656I90.3Very high87.9Confident95 Ų95101.7 Ų101.749%0.48751%0.51SS..Hα-helixtrans-68.7-47.4173.8-67.4163.4000110Q1652 E1653 Q1658 L1659 E1660Q1652-I1656 WeakPolarHBondContact O-CG1 3.39Å; Q1652-I1656 PolarHBondContact O-N 3.48Å; E1653-I1656 WeakPolarHBondContact O-CA 3.29Å; E1653-I1656 WeakPolarHBondContact O-CB 3.23Å; E1653-I1656 PolarHBondContact O-N 2.98Å; I1656-Q1658 VanDerWaalsContact C-N 3.29Å; I1656-Q1658 PolarHBondContact O-N 3.36Å; I1656-L1659 PolarHBondContact O-N 3.11Å; I1656-L1659 VanDerWaalsContact O-N 3.11Å; I1656-E1660 HydrophobicContact CG2-CG 4.42Å; I1656-E1660 WeakPolarHBondContact O-CG 3.43Å; I1656-E1660 PolarHBondContact O-N 3.07Å
1657E90.6Very high87Confident129 Ų129106.6 Ų106.660%0.60352%0.521SS*.Hα-helixtrans-56.6-41.1175.9-70.1-178.5161.700112.3E1653 E1660 S1661E1653-E1657 PolarHBondContact O-N 3.29Å; E1657-E1660 PolarHBondContact O-N 2.94Å; E1657-S1661 PolarHBondContact O-N 2.74Å
1658Q90.5Very high86Confident115 Ų115110.7 Ų110.754%0.53754%0.538SS..Hα-helixtrans-61.5-47.2175.1-175.9177.6-17.900111.6K1654 I1656 E1660 S1661 E1662K1654-Q1658 PolarHBondContact O-N 3.49Å; K1654-Q1658 VanDerWaalsContact O-N 3.08Å; I1656-Q1658 VanDerWaalsContact C-N 3.29Å; I1656-Q1658 PolarHBondContact O-N 3.36Å; Q1658-E1660 VanDerWaalsContact C-N 3.33Å; Q1658-E1660 PolarHBondContact O-N 3.28Å; Q1658-S1661 PolarHBondContact O-N 3.21Å; Q1658-S1661 VanDerWaalsContact O-N 3.16Å; Q1658-S1661 PolarHBondContact O-OG 2.91Å; Q1658-E1662 PolarHBondContact O-N 2.83Å
1659L88.4Confident84.4Confident110 Ų110114 Ų11458%0.57655%0.549SS*.Hα-helixtrans-63.8-36.8178.1-71.9169.9000112.5S1655 I1656 S1661 L1663S1655-L1659 WeakPolarHBondContact O-CG 3.48Å; S1655-L1659 PolarHBondContact O-N 2.88Å; I1656-L1659 PolarHBondContact O-N 3.11Å; I1656-L1659 VanDerWaalsContact O-N 3.11Å; L1659-S1661 VanDerWaalsContact C-N 3.35Å; L1659-L1663 VanDerWaalsContact O-CB 3.3Å; L1659-L1663 WeakPolarHBondContact O-CB 3.46Å; L1659-L1663 PolarHBondContact O-N 3.23Å
1660E86.7Confident82.4Confident127 Ų127115.7 Ų115.759%0.59355%0.554SS**Hα-helixtrans-63.7-40.8173-70.7-172.6158.200111.2I1656 E1657 Q1658 L1663 D1664I1656-E1660 HydrophobicContact CG2-CG 4.42Å; I1656-E1660 WeakPolarHBondContact O-CG 3.43Å; I1656-E1660 PolarHBondContact O-N 3.07Å; E1657-E1660 PolarHBondContact O-N 2.94Å; Q1658-E1660 VanDerWaalsContact C-N 3.33Å; Q1658-E1660 PolarHBondContact O-N 3.28Å; E1660-L1663 PolarHBondContact O-N 3.36Å; E1660-D1664 PolarHBondContact O-N 3.1Å
1661S84.6Confident80Confident70 Ų70121.8 Ų121.849%0.4957%0.574SS.*Hα-helixtrans-65.2-40.717781.80000113.4E1657 Q1658 L1659 L1663 D1664 Q1665E1657-S1661 PolarHBondContact O-N 2.74Å; Q1658-S1661 PolarHBondContact O-N 3.21Å; Q1658-S1661 VanDerWaalsContact O-N 3.16Å; Q1658-S1661 PolarHBondContact O-OG 2.91Å; L1659-S1661 VanDerWaalsContact C-N 3.35Å; S1661-L1663 VanDerWaalsContact C-N 3.33Å; S1661-D1664 PolarHBondContact O-N 3.01Å; S1661-Q1665 PolarHBondContact O-N 2.95Å
1662E85.3Confident77.6Confident94 Ų94122 Ų12244%0.43959%0.586SS.*Hα-helixtrans-64.5-39.3174.3-72.8-176.3-178.100111.2Q1658 Q1665 L1666Q1658-E1662 PolarHBondContact O-N 2.83Å; E1662-Q1665 PolarHBondContact O-N 3.24Å; E1662-L1666 WeakPolarHBondContact O-CG 3.48Å; E1662-L1666 PolarHBondContact O-N 3.02Å
1663L83.8Confident74.9Confident90 Ų90124.9 Ų124.947%0.47160%0.604SS.*Hα-helixtrans-68.8-35.4-180-164.3135.1000112.3L1659 E1660 S1661 R1667L1659-L1663 VanDerWaalsContact O-CB 3.3Å; L1659-L1663 WeakPolarHBondContact O-CB 3.46Å; L1659-L1663 PolarHBondContact O-N 3.23Å; E1660-L1663 PolarHBondContact O-N 3.36Å; S1661-L1663 VanDerWaalsContact C-N 3.33Å; L1663-R1667 WeakPolarHBondContact O-CG 3.44Å; L1663-R1667 PolarHBondContact O-N 3.43Å; L1663-R1667 VanDerWaalsContact O-N 3.13Å
1664D82Confident72Confident78 Ų78129.7 Ų129.742%0.41762%0.623SS.*Hα-helixtrans-73.5-29171.2-92.8-0.8000113.6E1660 S1661 R1667 K1668E1660-D1664 PolarHBondContact O-N 3.1Å; S1661-D1664 PolarHBondContact O-N 3.01Å; D1664-R1667 PolarHBondContact O-N 2.92Å; D1664-R1667 VanDerWaalsContact OD1-CD 3.25Å; D1664-R1667 WeakPolarHBondContact OD1-CD 3.38Å; D1664-R1667 IonicContact OD1-CZ 2.66Å; D1664-R1667 IonicContact OD1-NE 3.64Å; D1664-R1667 IonicContact OD1-NH1 3.99Å; D1664-R1667 PolarHBondContact OD1-NH1 3.32Å; D1664-K1668 PolarHBondContact O-N 2.66Å
1665Q76.9Confident69Low142 Ų142131.4 Ų131.466%0.66464%0.636SS**Hα-helixtrans-67.4-43.9172.2-157.6170.355.300110.9S1661 E1662 R1667 K1668S1661-Q1665 PolarHBondContact O-N 2.95Å; E1662-Q1665 PolarHBondContact O-N 3.24Å; Q1665-R1667 VanDerWaalsContact C-N 3.34Å; Q1665-R1667 PolarHBondContact O-N 3.23Å; Q1665-K1668 PolarHBondContact O-N 3.07Å; Q1665-K1668 VanDerWaalsContact O-N 3.14Å
1666L69.1Low66.1Low107 Ų107138.1 Ų138.156%0.5666%0.657SS**Hα-helixtrans-61.1-37.5173.1-75.1167.9000113E1662 K1668 E1669E1662-L1666 WeakPolarHBondContact O-CG 3.48Å; E1662-L1666 PolarHBondContact O-N 3.02Å; L1666-K1668 VanDerWaalsContact C-N 3.25Å; L1666-K1668 PolarHBondContact O-N 3.42Å; L1666-E1669 PolarHBondContact O-N 2.86Å
1667R73.2Confident63.4Low166 Ų166139.3 Ų139.363%0.62667%0.671SS**Hα-helixtrans-62.3-30.2175-77.2165.5171.9168.3-0.1113L1663 D1664 Q1665L1663-R1667 WeakPolarHBondContact O-CG 3.44Å; L1663-R1667 PolarHBondContact O-N 3.43Å; L1663-R1667 VanDerWaalsContact O-N 3.13Å; D1664-R1667 PolarHBondContact O-N 2.92Å; D1664-R1667 VanDerWaalsContact OD1-CD 3.25Å; D1664-R1667 WeakPolarHBondContact OD1-CD 3.38Å; D1664-R1667 IonicContact OD1-CZ 2.66Å; D1664-R1667 IonicContact OD1-NE 3.64Å; D1664-R1667 IonicContact OD1-NH1 3.99Å; D1664-R1667 PolarHBondContact OD1-NH1 3.32Å; Q1665-R1667 VanDerWaalsContact C-N 3.34Å; Q1665-R1667 PolarHBondContact O-N 3.23Å
1668K72.1Confident60.6Low173 Ų173139.1 Ų139.175%0.75268%0.681SS**Hα-helixtrans-76.1-31.5-179.8-72.6172.1-177.6171.40113.2D1664 Q1665 L1666 H1670D1664-K1668 PolarHBondContact O-N 2.66Å; Q1665-K1668 PolarHBondContact O-N 3.07Å; Q1665-K1668 VanDerWaalsContact O-N 3.14Å; L1666-K1668 VanDerWaalsContact C-N 3.25Å; L1666-K1668 PolarHBondContact O-N 3.42Å; K1668-H1670 PolarHBondContact O-N 2.96Å
1669E59.6Low57.5Low142 Ų142141.9 Ų141.966%0.66470%0.699SS**THydrogen-bonded Turntrans-72-8.3178.4-77.5-165.7152.100114.3L1666L1666-E1669 PolarHBondContact O-N 2.86Å
1670H47.3Very low54.7Low118 Ų118140.2 Ų140.255%0.54671%0.709SS.*  trans-117.362-172.6-72.47.7000113.9F142 K1668F142-H1670 AromaticContact CE1-NE2 3.81Å; K1668-H1670 PolarHBondContact O-N 2.96Å
1671R41.7Very low51.9Low238 Ų238145.7 Ų145.790%0.89872%0.724SS**  trans-113.8103161.8-82.6-166.9179.7-169.42.9112
1672P41.6Very low49Very low123 Ų123151 Ų15180%0.79974%0.74SS**PPolyproline II helixtrans-79.7144.8176.530.2-32.2000113.1
1673L31.8Very low46.4Very low179 Ų179153.5 Ų153.594%0.93776%0.763SS**PPolyproline II helixtrans-67.5140.9-178.2-70.2161.7000112.9
1674K34Very low43.6Very low209 Ų209154 Ų15491%0.90977%0.774SS**PPolyproline II helixtrans-83.6133.4178-72179.8175.8177.70111.7
1675M27.5Very low40.9Very low188 Ų188159.6 Ų159.693%0.92679%0.794SS**  trans-117.1143.8159.8-70.4-168.675.800110.8
1676K31.5Very low38.4Very low207 Ų207158 Ų15890%0.980%0.798SS**  trans-97.2141-174.2-67.9176.9175.21770112.6
1677P34.2Very low36.3Very low121 Ų121159.4 Ų159.479%0.78681%0.812SS**  trans-103171.5151.9-1.423000112.4
1678P31.5Very low34Very low124 Ų124156.9 Ų156.981%0.80582%0.82SS**  trans-111.2176.9-146.341.6-37.5000118.5
1679N25.6Very low31.7Very low173 Ų173159.5 Ų159.593%0.92583%0.825SS**  trans-51.2153.8-177.8-55.6-32.6000118
1680G28.8Very low30.1Very low75 Ų75159.7 Ų159.777%0.77384%0.836SS**  trans161.970166.400000112.9
1681R27.1Very low29.1Very low243 Ų243159.9 Ų159.992%0.91785%0.845SS**  93.8122.285.3-154.7-179.4-156-174.46.5113.6
1682H25.4Very low28.1Very low180 Ų180153.4 Ų153.483%0.83384%0.836SS**  trans-40.8145.1-177.4-48.1-96.7000119.2
1683T29.5Very low27.5Very low148 Ų148153.9 Ų153.991%0.90884%0.84SS**  -141.9168.6129.549.80000109.9
1684S26.3Very low27Very low101 Ų101149.4 Ų149.471%0.70683%0.828SS**  trans-136.3158.5-147.460.20000116.5
1685K25.2Very low26.6Very low195 Ų195145 Ų14585%0.84882%0.824SS**  trans88.5148.5144.5-80.5173.8178.3-176.20122.5
1686S24.3Very low26.4Very low107 Ų107140.8 Ų140.875%0.74881%0.813SS**  trans67.1126.5166.556.10000118.9
1687T24.1Very low26.2Very low137 Ų137139.7 Ų139.784%0.8482%0.816SS**  cis92.29226.667.70000117.7
1688S25.5Very low25.7Very low113 Ų113138.5 Ų138.579%0.7981%0.811SS**  trans-172.5116.9142.145.70000105.1
1689R23.4Very low25.3Very low228 Ų228137.3 Ų137.386%0.8681%0.805SS**  cis62.38338.4-159.3-173.1-80.4-145.62113V1691R1689-V1691 HydrophobicContact CG-CG2 4.21Å
1690T26.4Very low25.1Very low147 Ų147137.5 Ų137.590%0.90280%0.8SS**  trans-118.7145.8150.342.10000108.2
1691V25.9Very low24.8Very low122 Ų122139 Ų13974%0.73980%0.798SS**  trans-115144.4-160.5171.30000110.4R1689R1689-V1691 HydrophobicContact CG-CG2 4.21Å
1692S20.7Very low24.8Very low101 Ų101138.1 Ų138.171%0.70680%0.796SS**  trans-62140.4174.8-45.70000112
1693P29.3Very low24.6Very low134 Ų134135.2 Ų135.287%0.8780%0.796SS**  trans-72131.3163.231.1-31.4000109.3
1694A21.6Very low24.3Very low85 Ų85132.7 Ų132.770%0.70279%0.785SS**  trans-120.2167.6167.100000108.6
1695S24.5Very low24.1Very low117 Ų117135 Ų13582%0.81879%0.789SS**  trans70.8152.8178.3105.80000114.7
1696S23Very low24.1Very low98 Ų98133.1 Ų133.169%0.68579%0.787SS**  cis-179.6129.2-22.843.70000106.5
1697L28.8Very low24.1Very low184 Ų184133.1 Ų133.196%0.96379%0.788SS**  trans-141.5141.5164.8-99.9172.8000111
1698S22.8Very low24Very low97 Ų97133.3 Ų133.368%0.67878%0.783SS**  trans-105.6160.1-163.749.40000113.1
1699S22.7Very low24Very low99 Ų99135.2 Ų135.269%0.69278%0.783SS**  trans-17135.2155.354.70000118
1700E21.5Very low24Very low176 Ų176131.1 Ų131.182%0.82278%0.783SS**  170.2163.6103.5-89-172167.400112.3
1701C23.1Very low23.8Very low107 Ų107132.3 Ų132.372%0.72378%0.779SS**  trans61114.4170-60.30000117
1702Y26.5Very low23.7Very low224 Ų224132.8 Ų132.888%0.87878%0.777SS**  -155.9143.661.4-103.7-91.7000112.3
1703S21.8Very low24Very low120 Ų120134.4 Ų134.484%0.83979%0.787SS**  trans-121.2112.9164-64.30000109.2
1704S23.2Very low23.8Very low95 Ų95136 Ų13666%0.66478%0.783SS**  trans172.9129.9146.955.80000112.2
1705N22.4Very low23.8Very low149 Ų149136.9 Ų136.980%0.79778%0.783SS**  trans49.4110.7142-55-8.5000119.8
1706L25.4Very low23.8Very low155 Ų155142.4 Ų142.481%0.81279%0.788SS**  -159.377.1128.9-109.5156000110.3
1707S23Very low23.9Very low108 Ų108144.5 Ų144.576%0.75579%0.792SS**  trans-81.498.9148.952.90000107.1
1708D23Very low23.6Very low141 Ų141142.7 Ų142.775%0.75478%0.783SS**  trans-178.7157.4154.3-93.5-25.6000109.2
1709I25.9Very low24.3Very low153 Ų153142.2 Ų142.279%0.78578%0.778SS**  trans99.959.9-170.7-51.1158.3000113
1710T22.1Very low24.5Very low141 Ų141147.7 Ų147.787%0.86579%0.789SS**  trans-10678.3141.649.30000109
1711Q22.7Very low24.6Very low172 Ų172148.5 Ų148.580%0.80479%0.786SS**  trans-160.7145.2165.5-111.517427.100110.4
1712N23.8Very low24.7Very low133 Ų133150 Ų15071%0.71178%0.783SS**  trans97.576.7178.6-59.2-18000117.7
1713C27Very low24.5Very low135 Ų135145.4 Ų145.491%0.91277%0.773SS**SBend-133.6137.8125.6-890000108
1714H26Very low24.7Very low167 Ų167147.3 Ų147.377%0.77377%0.774SS**PPolyproline II helixtrans-79.9141.6-156-80.8-87.5000115.4
1715S20.5Very low24.6Very low103 Ų103149.7 Ų149.772%0.7278%0.778SS**PPolyproline II helixtrans-56.1134.4155.2-45.70000110.9
1716Y25.5Very low24.8Very low233 Ų233151.4 Ų151.491%0.91478%0.78SS**PPolyproline II helixtrans-91.9132.7150.7-100.3-91.2000108.9
1717N24.9Very low24.7Very low142 Ų142150.5 Ų150.576%0.75978%0.776SS**PPolyproline II helixtrans-75.5146.3-178.4-80.2-42.3000111.9
1718N22.2Very low24.7Very low147 Ų147152.5 Ų152.579%0.78678%0.779SS**  27.5158.5113.4-107.23.4000119.8
1719P37.8Very low24.7Very low87 Ų87154.6 Ų154.657%0.56578%0.781SS**  cis-137.7168.90.640.2-23.4000115.4
1720F26.3Very low24.6Very low214 Ų214154.5 Ų154.594%0.93978%0.782SS**  trans-158159.3130.3-107.9-72.1000109.8
1721Y24.1Very low24.6Very low193 Ų193152.9 Ų152.976%0.75778%0.777SS**  trans-115.9156.2-148.6-114.8-74.5000114.6
1722H25.1Very low24.7Very low139 Ų139151.9 Ų151.964%0.64478%0.777SS**  trans61.9127153.1-84.5-57.3000121.5
1723N21.5Very low24.7Very low127 Ų127153 Ų15368%0.67978%0.783SS**  24.3129.8122-51.8-3.7000116.7
1724D26.1Very low24.6Very low159 Ų159152.8 Ų152.885%0.8577%0.773SS**  -152.9161.573.7-103.6-32.4000116.8
1725I20.4Very low24.5Very low146 Ų146151.4 Ų151.475%0.74978%0.776SS**  trans-79129.3173-65.9160.3000108.9
1726H27.8Very low24.7Very low184 Ų184153.4 Ų153.485%0.85278%0.779SS**  trans-153.5136.6143.2-118.2-78.4000113.6
1727N22.3Very low24.6Very low136 Ų136149.1 Ų149.173%0.72777%0.771SS**  trans-58.9141.5170.6-65.3-63.7000110.9
1728N24Very low24.6Very low151 Ų151149.6 Ų149.681%0.80777%0.774SS**  -148.8128.5113.9-137.2-5.8000112.8
1729K21.7Very low24.8Very low184 Ų184150.2 Ų150.280%0.878%0.778SS**  trans-75.2133.8161.2-68.1176177.7178.60106.9
1730N24.3Very low24.3Very low151 Ų151154.4 Ų154.481%0.80779%0.789SS**  trans-14991.6149.3-108-10.4000108.9
1731S22.9Very low24Very low108 Ų108152.7 Ų152.776%0.75578%0.782SS**  trans-63.5133.4152.6-63.20000108
1732N24.9Very low24.1Very low151 Ų151151.5 Ų151.581%0.80778%0.781SS**  trans-151.583.8146.1-107.4-8.7000108.3
1733N23.7Very low23.9Very low156 Ų156151.5 Ų151.583%0.83479%0.786SS**  trans-66.2130.3149.5-78.4-15000106.6
1734N23.7Very low24Very low131 Ų131150 Ų15070%0.70179%0.785SS**  trans-133.380.5168.4-139.215.1000109.4N1736N1734-N1736 PolarHBondContact O-N 2.53Å
1735T25.4Very low23.9Very low138 Ų138147.8 Ų147.885%0.84778%0.782SS**  trans-74.3105.2161.2400000107.9
1736N24.4Very low24Very low145 Ų145148.8 Ų148.878%0.77579%0.787SS**  trans-93.1127.8-179.3-126.510.6000110.8N1734N1734-N1736 PolarHBondContact O-N 2.53Å
1737N23.1Very low23.8Very low142 Ų142145.7 Ų145.776%0.75979%0.786SS**  trans-94.7153.4176.4-111.6-7000111.3
1738N24.9Very low23.8Very low152 Ų152146.2 Ų146.281%0.81379%0.789SS**  trans60.1156149.1-72.1-11.8000122.7
1739N26.7Very low23.9Very low161 Ų161150.3 Ų150.386%0.86179%0.794SS**  trans-70.2152.9179.4-76-46000113.2
1740H26.2Very low24Very low175 Ų175150.2 Ų150.281%0.8180%0.797SS**  trans-58.6137.3164.2-67.2-98.7000112.2
1741F21.3Very low24.1Very low178 Ų178148.7 Ų148.778%0.78180%0.798SS**  -170.2120.898.5-116.7-108.3000112.4
1742F24.9Very low24.2Very low167 Ų167150.1 Ų150.173%0.73280%0.797SS**  trans57.5101.1154.8-77.9-104000123.8
1743D21.4Very low24.2Very low140 Ų140148.1 Ų148.175%0.74979%0.786SS**  82.9145.3101.6-151.214.8000123.3
1744S23.4Very low24.3Very low96 Ų96149 Ų14967%0.67179%0.785SS**  trans94.1128.315775.70000123.1
1745S24.2Very low24.3Very low111 Ų111146.3 Ų146.378%0.77679%0.789SS**  trans65.1125.1170.567.10000117.7
1746I21.8Very low24.4Very low168 Ų168148.4 Ų148.486%0.86279%0.794SS**  cis75.510031.6-50.7179.1000115.5
1747S25.6Very low24.3Very low118 Ų118148.4 Ų148.483%0.82579%0.794SS**  -165.3156.7129.756.50000112.4
1748N22Very low24.4Very low148 Ų148148.7 Ų148.779%0.79180%0.795SS**  trans-86162.5-175.8-60.6-60.9000112.7
1749Y24.6Very low24.5Very low236 Ų236149.7 Ų149.793%0.92580%0.8SS**  -157.6143.7126.7-111.5-73.8000113.8
1750H23.7Very low24.4Very low183 Ų183147 Ų14785%0.84779%0.793SS**  trans-104.4142.4175.4-108.8-72.8000110.3
1751S27.7Very low24.2Very low119 Ų119150.2 Ų150.283%0.83280%0.798SS**  trans169.1170.8148.145.90000111.4
1752N24Very low24.3Very low137 Ų137145.3 Ų145.373%0.73380%0.798SS**  -159.4157.1-58-150.51.1000109.4
1753N25.6Very low24.1Very low110 Ų110147 Ų14759%0.58881%0.808SS**  trans65.8118.4153.9-75.9-21.1000124.3
1754Q25.3Very low24.2Very low174 Ų174145.6 Ų145.681%0.81381%0.81SS**  66.1108.7118.9-59.6175.928.700121.4
1755G24.2Very low24.2Very low75 Ų75146.9 Ų146.977%0.77381%0.813SS**  101.296.991.500000118.9
1756L26.9Very low23.9Very low182 Ų182149.4 Ų149.495%0.95382%0.816SS**  trans-135.3129.9143.4-88.9176.7000109.8
1757N23.5Very low24.1Very low145 Ų145147 Ų14778%0.77581%0.809SS**  trans-91.3157.3179.2-85.5-41.6000111.5
1758N24Very low23.8Very low148 Ų148149.1 Ų149.179%0.79181%0.806SS**  trans60.7102.6156-58.3-24000117.6
1759L27.2Very low23.8Very low173 Ų173148.6 Ų148.691%0.90680%0.804SS**  -146.5152.4114-106.9164.4000110.4
1760S25.3Very low23.6Very low103 Ų103148.8 Ų148.872%0.7280%0.804SS**  trans-71.1125.8-160.248.20000115.3
1761R21.9Very low23.5Very low243 Ų243151 Ų15192%0.91781%0.805SS**  55.776.2126.2-163.9175.6178.1158.3-1.2117.2
1762G22.4Very low23.3Very low75 Ų75150.6 Ų150.677%0.77380%0.798SS**  69.1102.8122.900000119
1763E21.8Very low23.2Very low202 Ų202152.4 Ų152.494%0.94480%0.802SS**  trans-111.8168.4147.4-77.5-164.9148.800110.9
1764S22.5Very low23Very low112 Ų112152.2 Ų152.278%0.78381%0.809SS**  trans-84.9143.6-144.951.90000116.7I1766S1764-I1766 PolarHBondContact O-N 3.16Å
1765V23.3Very low22.9Very low122 Ų122152.2 Ų152.274%0.73981%0.807SS**  trans-42.2129.1153.8169.10000111.9T1767V1765-T1767 WeakPolarHBondContact CG1-OG1 3.3Å
1766I19.4Very low22.8Very low164 Ų164156.2 Ų156.284%0.84181%0.805SS**  trans-70.5116.2157.1-62.8164000107.6S1764S1764-I1766 PolarHBondContact O-N 3.16Å
1767T24.3Very low22.6Very low118 Ų118155 Ų15572%0.72480%0.795SS**  trans-166.7155.5144.36.70000113.4V1765V1765-T1767 WeakPolarHBondContact CG1-OG1 3.3Å
1768E19.6Very low22.6Very low162 Ų162156.3 Ų156.376%0.75779%0.794SS**  trans-67.9172.8-165.1-56.7167.8135.600117
1769N22Very low22.7Very low138 Ų138156.2 Ų156.274%0.73879%0.792SS**  trans77.8114.2168.3-51.9-64.7000116.3
1770Y21.2Very low22.5Very low239 Ų239153.9 Ų153.994%0.93778%0.78SS**  trans-142.9149.7136.6-101-68.3000115
1771R21.6Very low22.4Very low229 Ų229161.3 Ų161.386%0.86479%0.792SS**  trans-81.4174.3-177.8-173.4174.5-178.9162.9-1.5111.2
1772T22.9Very low22.3Very low112 Ų112158.8 Ų158.869%0.68779%0.788SS**  trans-58.7155.7-178.647.60000116.6
1773E22Very low22.3Very low175 Ų175158.9 Ų158.982%0.81879%0.789SS**  trans90.9103.5152.7-74.3167.4-160.700122.6
1774S21.7Very low22.3Very low106 Ų106158.1 Ų158.174%0.74179%0.786SS**  trans90.8154.2130.581.30000122.8
1775F22.6Very low22.2Very low173 Ų173160.6 Ų160.676%0.75979%0.787SS**  trans85.899.8165.6-86.5-94.2000123.4
1776Q22.5Very low22.1Very low159 Ų159159.4 Ų159.474%0.74378%0.784SS**  53.6107.1129.7-69.3-176.9-27.100123.8
1777E22.7Very low22.2Very low157 Ų157162.8 Ų162.873%0.73479%0.786SS**  66.3137.4112.1-138-172.3-127.300122.8
1778K24.9Very low22Very low173 Ų173162.7 Ų162.775%0.75279%0.789SS**  trans83.3138.6170.8-59.2167.9-174.2158.70115.4
1779L24.6Very low22Very low145 Ų145163.7 Ų163.776%0.75979%0.794SS**  cis-147.7153.312.7-153.994000113
1780L22.7Very low23Very low124 Ų124162 Ų16265%0.64979%0.791SS**  trans-10.4134.9166.8-84.767.3000119.9
1781W23.7Very low23.3Very low259 Ų259158.9 Ų158.998%0.98178%0.784SS**  -132126121.6-90.281.1000110.8
1782K19.5Very low23.4Very low191 Ų191154.9 Ų154.983%0.8379%0.785SS**  trans-100.6129.7163.7-80.1178172177.70107.2
1783G23.7Very low23.6Very low77 Ų77158.1 Ų158.179%0.79479%0.79SS**  trans-171.8122.4176.300000111.8
1784Q21.6Very low23.7Very low186 Ų186155.8 Ų155.887%0.86979%0.791SS**  trans-70.7170-168.6-63.6167.4-61.600115.3
1785M19Very low24Very low163 Ų163157.8 Ų157.880%0.80379%0.794SS**  trans94.394.8148.3-87.1150.662.600121.6
1786S21.5Very low24.3Very low97 Ų97153.3 Ų153.368%0.67878%0.783SS**  58.5109.3115.965.90000122.4
1787R21.9Very low25Very low235 Ų235150.3 Ų150.389%0.88777%0.773SS**  -174.9132.2126.8-102.5167.8166.2171.1-6.3108
1788C19.9Very low25.8Very low117 Ų117149.6 Ų149.679%0.79177%0.773SS**  48.6126.895.5-55.60000112.2
1789E20.6Very low26.7Very low183 Ų183147.3 Ų147.386%0.85577%0.768SS**  cis-155.6-149.326.7-147-176.6-14100112.8
1790P43.3Very low27.5Very low103 Ų103148.6 Ų148.667%0.66976%0.764SS**  trans-102.5151.6-131.440.1-28.1000116.9
1791Q27.3Very low28.6Very low172 Ų172145.7 Ų145.780%0.80475%0.749SS**  trans-141.2123.3165.9-87-74.3-47.300110.5K1793Q1791-K1793 PolarHBondContact O-N 3.5Å
1792V23.3Very low30.1Very low145 Ų145136 Ų13688%0.87972%0.721SS**  trans-73.9111.9176.9176.50000109.4
1793K26.7Very low31.7Very low181 Ų181135.1 Ų135.179%0.78771%0.712SS**  trans-123.4131.8170.9-83.5-176.4174.9175.50111.5Q1791Q1791-K1793 PolarHBondContact O-N 3.5Å
1794C24.6Very low33Very low125 Ų125133.4 Ų133.485%0.84569%0.69SS**  trans-61.1139.6-175.1-57.50000112.7S1796C1794-S1796 PolarHBondContact O-N 3.4Å
1795N27.4Very low35.2Very low149 Ų149125.8 Ų125.880%0.79766%0.658SS**  trans-63.4103.6-174.4-78.1-37.6000113.4N1797N1795-N1797 VanDerWaalsContact C-N 3.28Å; N1795-N1797 PolarHBondContact O-N 3.14Å
1796S29.2Very low36.9Very low78 Ų78125.2 Ų125.255%0.54565%0.653SS.*  trans-85.69.9172.552.40000114.2C1794 L1798 L1799C1794-S1796 PolarHBondContact O-N 3.4Å; S1796-L1798 PolarHBondContact O-N 2.87Å; S1796-L1799 PolarHBondContact O-N 2.9Å
1797N36.1Very low38.4Very low97 Ų97123.9 Ų123.952%0.51966%0.655SS.*Hα-helixtrans-72-19.3-166.9-70.8-16.6000115.4N1795 Y1800 L1801N1795-N1797 VanDerWaalsContact C-N 3.28Å; N1795-N1797 PolarHBondContact O-N 3.14Å; N1797-Y1800 PolarHBondContact O-N 2.97Å; N1797-L1801 WeakPolarHBondContact O-CG 3.29Å; N1797-L1801 PolarHBondContact O-N 3.31Å
1798L40Very low40.5Very low141 Ų141117 Ų11774%0.73864%0.639SS**Hα-helixtrans-68.5-37.7177.2-111.5165.5000112.6S1796 Y1800 L1801 S1802S1796-L1798 PolarHBondContact O-N 2.87Å; L1798-Y1800 VanDerWaalsContact C-N 3.35Å; L1798-L1801 PolarHBondContact O-N 3.14Å; L1798-S1802 PolarHBondContact O-N 3.02Å; L1798-S1802 VanDerWaalsContact O-N 3.15Å
1799L43.7Very low41.9Very low126 Ų126114.6 Ų114.666%0.6663%0.634SS**Hα-helixtrans-68.6-33.9175.2-98.4161000112.2S1796 R1803S1796-L1799 PolarHBondContact O-N 2.9Å; L1799-R1803 PolarHBondContact O-N 3.46Å
1800Y42.1Very low43.5Very low171 Ų171109.9 Ų109.967%0.67161%0.614SS**Hα-helixtrans-71.2-39.4175.6-106.4-82000112.6N1797 L1798 R1803 A1804N1797-Y1800 PolarHBondContact O-N 2.97Å; L1798-Y1800 VanDerWaalsContact C-N 3.35Å; Y1800-R1803 PolarHBondContact O-N 3.04Å; Y1800-A1804 WeakPolarHBondContact O-CB 3.5Å; Y1800-A1804 PolarHBondContact O-N 3.4Å
1801L45.8Very low44Very low64 Ų64108.8 Ų108.834%0.33561%0.607SS.*Hα-helixtrans-65.8-37.4175.2-72.2169.7000112.4N1797 L1798 A1804 S1805 L1812 L1815N1797-L1801 WeakPolarHBondContact O-CG 3.29Å; N1797-L1801 PolarHBondContact O-N 3.31Å; L1798-L1801 PolarHBondContact O-N 3.14Å; L1801-A1804 PolarHBondContact O-N 3.28Å; L1801-S1805 PolarHBondContact O-N 2.84Å; L1801-L1812 HydrophobicContact CB-CD1 4.2Å; L1801-L1812 WeakPolarHBondContact O-CD1 3.33Å; L1801-L1815 HydrophobicContact CD2-CB 4.46Å
1802S55.4Low45Very low55 Ų55103.7 Ų103.739%0.38559%0.585SS.*Hα-helixtrans-61-48.1173.2-162.50000111.6L1798 A1804 S1805 E1806L1798-S1802 PolarHBondContact O-N 3.02Å; L1798-S1802 VanDerWaalsContact O-N 3.15Å; S1802-A1804 VanDerWaalsContact C-N 3.35Å; S1802-A1804 PolarHBondContact O-N 3.12Å; S1802-S1805 PolarHBondContact O-N 2.92Å; S1802-E1806 PolarHBondContact O-N 3.27Å; S1802-E1806 VanDerWaalsContact O-N 3.07Å
1803R52Low46.7Very low173 Ų17398.7 Ų98.765%0.65356%0.563SS**Hα-helixtrans-64.9-34.3175.9-84.5-177.6165.4148.6-2.4113.6L1799 Y1800 S1805 E1806 G1807L1799-R1803 PolarHBondContact O-N 3.46Å; Y1800-R1803 PolarHBondContact O-N 3.04Å; R1803-S1805 VanDerWaalsContact C-N 3.34Å; R1803-E1806 PolarHBondContact O-N 3.41Å; R1803-G1807 PolarHBondContact O-N 3.27Å
1804A52.1Low47.6Very low40 Ų4096.4 Ų96.433%0.33156%0.555SS.*Hα-helixtrans-65.4-38.2174.900000111.8Y1800 L1801 S1802 G1807 T1808Y1800-A1804 WeakPolarHBondContact O-CB 3.5Å; Y1800-A1804 PolarHBondContact O-N 3.4Å; L1801-A1804 PolarHBondContact O-N 3.28Å; S1802-A1804 VanDerWaalsContact C-N 3.35Å; S1802-A1804 PolarHBondContact O-N 3.12Å; A1804-G1807 PolarHBondContact O-N 2.98Å; A1804-T1808 WeakPolarHBondContact O-CB 3.28Å; A1804-T1808 WeakPolarHBondContact O-CG2 3.3Å; A1804-T1808 PolarHBondContact O-N 2.65Å; A1804-T1808 VanDerWaalsContact O-N 3.16Å; A1804-T1808 PolarHBondContact O-OG1 3.32Å
1805S68Low48.5Very low26 Ų2693.4 Ų93.418%0.18253%0.53CS..Hα-helixtrans-66.4-44.1174.1-167.20000111.7L1801 S1802 R1803 G1807 T1808 G1809 I1810 L1812L1801-S1805 PolarHBondContact O-N 2.84Å; S1802-S1805 PolarHBondContact O-N 2.92Å; R1803-S1805 VanDerWaalsContact C-N 3.34Å; S1805-G1807 VanDerWaalsContact C-N 3.32Å; S1805-G1807 PolarHBondContact O-N 3.03Å; S1805-T1808 PolarHBondContact O-N 3.21Å; S1805-G1809 PolarHBondContact O-N 2.86Å; S1805-G1809 VanDerWaalsContact O-N 3.13Å; S1805-I1810 PolarHBondContact OG-O 3.43Å; S1805-L1812 PolarHBondContact OG-N 3.41Å
1806E53.8Low49.5Very low152 Ų15291.6 Ų91.671%0.7152%0.519SS*.Hα-helixtrans-61.8-35175.7-71.5178151.200113.4S1802 R1803S1802-E1806 PolarHBondContact O-N 3.27Å; S1802-E1806 VanDerWaalsContact O-N 3.07Å; R1803-E1806 PolarHBondContact O-N 3.41Å
1807G52.3Low49.7Very low69 Ų6995.5 Ų95.571%0.71153%0.528SS*.Hα-helixtrans-85.2-20.4-178.200000115.9R1803 A1804 S1805R1803-G1807 PolarHBondContact O-N 3.27Å; A1804-G1807 PolarHBondContact O-N 2.98Å; S1805-G1807 VanDerWaalsContact C-N 3.32Å; S1805-G1807 PolarHBondContact O-N 3.03Å
1808T67.4Low49.6Very low89 Ų8994.7 Ų94.755%0.54654%0.536SS..Hα-helixtrans-115.3-12.7-172.860.90000114.6A1804 S1805 I1810A1804-T1808 WeakPolarHBondContact O-CB 3.28Å; A1804-T1808 WeakPolarHBondContact O-CG2 3.3Å; A1804-T1808 PolarHBondContact O-N 2.65Å; A1804-T1808 VanDerWaalsContact O-N 3.16Å; A1804-T1808 PolarHBondContact O-OG1 3.32Å; S1805-T1808 PolarHBondContact O-N 3.21Å; T1808-I1810 PolarHBondContact O-N 3.08Å
1809G48.9Very low49.1Very low68 Ų6895.5 Ų95.570%0.70154%0.54SS*.  trans71.62.2-175.100000114.4S1805S1805-G1809 PolarHBondContact O-N 2.86Å; S1805-G1809 VanDerWaalsContact O-N 3.13Å
1810I54.4Low48.3Very low83 Ų83100.2 Ų100.243%0.42655%0.549SS..  trans-79.8122.9175.5-58.5176000108.4S1805 T1808 H1814S1805-I1810 PolarHBondContact OG-O 3.43Å; T1808-I1810 PolarHBondContact O-N 3.08Å; I1810-H1814 HydrophobicContact CG2-CB 4.04Å
1811P52.9Low47.3Very low80 Ų8097.4 Ų97.452%0.51956%0.555SS.*  trans-67.2137.1-178.126.4-33.7000111.5G1813 H1814P1811-G1813 PolarHBondContact O-N 3.48Å; P1811-H1814 PolarHBondContact O-N 2.84Å
1812L49.3Very low46.3Very low66 Ų66101.3 Ų101.335%0.34658%0.581SS.*Hα-helixtrans-49.7-31.1-171-161.773.2000114.9L1801 S1805 H1814 L1815 I1816L1801-L1812 HydrophobicContact CB-CD1 4.2Å; L1801-L1812 WeakPolarHBondContact O-CD1 3.33Å; S1805-L1812 PolarHBondContact OG-N 3.41Å; L1812-H1814 PolarHBondContact O-N 3.11Å; L1812-L1815 PolarHBondContact O-N 3.24Å; L1812-I1816 HydrophobicContact CG-CD1 4.23Å; L1812-I1816 WeakPolarHBondContact O-CG1 3.38Å; L1812-I1816 PolarHBondContact O-N 2.57Å
1813G58Low44.7Very low40 Ų40107.6 Ų107.641%0.41260%0.604SS.*Hα-helixtrans-59.6-39.3175.800000114.1P1811 L1815 I1816 E1817P1811-G1813 PolarHBondContact O-N 3.48Å; G1813-L1815 VanDerWaalsContact C-N 3.3Å; G1813-L1815 PolarHBondContact O-N 3.44Å; G1813-I1816 PolarHBondContact O-N 3.28Å; G1813-I1816 VanDerWaalsContact O-N 3.09Å; G1813-E1817 PolarHBondContact O-N 3.28Å; G1813-E1817 VanDerWaalsContact O-N 3.17Å
1814H45.6Very low43.3Very low133 Ų133107.1 Ų107.162%0.61661%0.613SS**Hα-helixtrans-70.6-26178.4-80.755.7000112.7I1810 P1811 L1812 I1816I1810-H1814 HydrophobicContact CG2-CB 4.04Å; P1811-H1814 PolarHBondContact O-N 2.84Å; L1812-H1814 PolarHBondContact O-N 3.11Å; H1814-I1816 VanDerWaalsContact C-N 3.28Å
1815L43.2Very low41.9Very low61 Ų61108.6 Ų108.632%0.31963%0.632SS.*Hα-helixtrans-73.9-19.5172-79.1162.7000112.8L1801 L1812 G1813L1801-L1815 HydrophobicContact CD2-CB 4.46Å; L1812-L1815 PolarHBondContact O-N 3.24Å; G1813-L1815 VanDerWaalsContact C-N 3.3Å; G1813-L1815 PolarHBondContact O-N 3.44Å
1816I48.3Very low39.6Very low112 Ų112116.3 Ų116.357%0.57466%0.657SS**Hα-helixtrans-91.1-35.1-178.6-66.6165.3000111.3L1812 G1813 H1814 A1818L1812-I1816 HydrophobicContact CG-CD1 4.23Å; L1812-I1816 WeakPolarHBondContact O-CG1 3.38Å; L1812-I1816 PolarHBondContact O-N 2.57Å; G1813-I1816 PolarHBondContact O-N 3.28Å; G1813-I1816 VanDerWaalsContact O-N 3.09Å; H1814-I1816 VanDerWaalsContact C-N 3.28Å; I1816-A1818 PolarHBondContact O-N 3.5Å
1817E35.2Very low38.1Very low159 Ų159120.8 Ų120.874%0.74367%0.667SS**Hα-helixtrans-80.3-10.1-175.4-70.1-172.4141.500115.3G1813 N1819G1813-E1817 PolarHBondContact O-N 3.28Å; G1813-E1817 VanDerWaalsContact O-N 3.17Å; E1817-N1819 VanDerWaalsContact C-N 3.26Å; E1817-N1819 PolarHBondContact O-N 3.12Å
1818A32.4Very low36.6Very low81 Ų81123.6 Ų123.667%0.66966%0.662SS**THydrogen-bonded Turntrans-72.1-6.7-17400000115.8I1816 R1820I1816-A1818 PolarHBondContact O-N 3.5Å; A1818-R1820 PolarHBondContact O-N 3.46Å
1819N30.8Very low34.6Very low157 Ų157124.4 Ų124.484%0.8467%0.671SS**  trans-98.168.3-177.1-83.1-27.1000113.4E1817E1817-N1819 VanDerWaalsContact C-N 3.26Å; E1817-N1819 PolarHBondContact O-N 3.12Å
1820R25.5Very low33.5Very low225 Ų225129.9 Ų129.985%0.84968%0.678SS**  trans-99.5107.6159.3-83.6-166.7177.9-164.71.5111.4A1818A1818-R1820 PolarHBondContact O-N 3.46Å
1821S23Very low32.1Very low113 Ų113132 Ų13279%0.7970%0.696SS**  trans3699.6144.258.30000118.2
1822V23.7Very low31Very low146 Ų146138.3 Ų138.389%0.88572%0.715SS**  trans-112.8142.4156.6178.70000109
1823H22.6Very low29.8Very low187 Ų187142.2 Ų142.287%0.86674%0.735SS**PPolyproline II helixtrans-68142-159.8-111.6-86.9000115.6G1825H1823-G1825 PolarHBondContact O-N 3.42Å
1824I21.1Very low28.1Very low162 Ų162147.6 Ų147.683%0.83175%0.754SS**PPolyproline II helixtrans-68.7117.7167.3-65.6163.3000109.3
1825G22.7Very low27.7Very low71 Ų71146 Ų14673%0.73276%0.756SS**PPolyproline II helixtrans-91.8118.816800000111H1823H1823-G1825 PolarHBondContact O-N 3.42Å
1826R20.3Very low27.2Very low189 Ų189155.8 Ų155.871%0.71380%0.799SS**PPolyproline II helixtrans-55142.6173.2-77.5-179.4172-164.31.3111.9E1828R1826-E1828 IonicContact CZ-OE1 2.75Å; R1826-E1828 VanDerWaalsContact CZ-OE1 3.26Å; R1826-E1828 IonicContact CZ-OE2 2.77Å; R1826-E1828 IonicContact NE-OE1 3.92Å; R1826-E1828 VanDerWaalsContact NH1-CD 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.19Å; R1826-E1828 PolarHBondContact NH1-OE1 3.46Å; R1826-E1828 IonicContact NH1-OE2 3.21Å; R1826-E1828 PolarHBondContact NH1-OE2 3.39Å; R1826-E1828 IonicContact NH2-OE1 3.41Å
1827R22.9Very low26.1Very low246 Ų246158 Ų15893%0.92881%0.81SS**  trans-132.7114.9131.8-81.4-166172.4172.3-2.2110.2
1828E20.4Very low25.7Very low128 Ų128157.9 Ų157.960%0.59881%0.814SS**  trans-78.1175.4157.2-68.7149.7154.400108.4R1826R1826-E1828 IonicContact CZ-OE1 2.75Å; R1826-E1828 VanDerWaalsContact CZ-OE1 3.26Å; R1826-E1828 IonicContact CZ-OE2 2.77Å; R1826-E1828 IonicContact NE-OE1 3.92Å; R1826-E1828 VanDerWaalsContact NH1-CD 3.34Å; R1826-E1828 IonicContact NH1-OE1 3.19Å; R1826-E1828 PolarHBondContact NH1-OE1 3.46Å; R1826-E1828 IonicContact NH1-OE2 3.21Å; R1826-E1828 PolarHBondContact NH1-OE2 3.39Å; R1826-E1828 IonicContact NH2-OE1 3.41Å
1829S25.8Very low25.3Very low105 Ų105162.2 Ų162.273%0.73482%0.822SS**  trans73.1131.3-164.174.60000113.7
1830E26Very low25Very low183 Ų183162.5 Ų162.586%0.85582%0.821SS**  cis-149.8152.44.9-129.7162.4-14000112.5
1831T24.7Very low24.9Very low129 Ų129158.6 Ų158.679%0.79182%0.819SS**  trans-63.9137.2-179.9440000114.1
1832K28.8Very low25.1Very low211 Ų211161.6 Ų161.692%0.91782%0.821SS**  trans-156.1147.2137.4-109.9162.8-171.6179.90111.4
1833L25.8Very low25.2Very low148 Ų148162.7 Ų162.778%0.77582%0.816SS**  trans-95.6151.3-169.1-68.5114000112.5
1834L21.5Very low25.4Very low153 Ų153160.8 Ų160.880%0.80181%0.812SS**  trans56164.2139.6-63.9165.5000119.4
1835P36.5Very low25.7Very low101 Ų101160.8 Ų160.866%0.65681%0.811SS**  -134.4147.8-51.436.5-21.8000113.4
1836H33.3Very low26Very low265 Ų265168.9 Ų168.9100%1.22782%0.818SS**  trans-171.30134.8-113-60.8000111.7

Retrieved 1,836 of 1,836 residues in 1871.3 ms (Link to these results)