A0A3Q0KDD5_SCHMA Loading...

GRIP domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KDD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,683 aa.

>A0A3Q0KDD5_SCHMA|A0A3Q0KDD5
MFSNLKGLVKKEGTNKSCRSDCGSTDSRVSYSRFLGESERTDADIAFETRTSSVQLKPTSPSVASNHGRTNDITESNSDSNAFQNKSPTSKETDNVKLLKCTGPFGELDDSDCGSVMSSTFRLSTETSDIQSRCQRVYQMARNYKIKYQQLVEAYKVMESERNNLQQLLASHQAKTSKSVDEMYKKLELDKQTKDELERDFRRLLSEKEEIIKSLRLQCDQQNINKLRSELADSKLSQAALQEQVQCLKAQFYSNSSTEETGLLQNESSNKLLVRTESNYIHRSDEIINKTNEQSNEIKSLSCQLEKLNQKLADSEDIRIRLDKEVNELKSALGSSKSEVNPTIISDNQCNPGLVNLQTLNDELTTQLNESKLKIEHLESNQIEQLKQIDHLESELHSYQNIQQENEHLKIYYQNLFNQIHKFKSDIFNLNNKKLIELYPIFNDSMNSLFNIQNLENFKLFIELLLYDTLKTIQELKCNCNDKQSVIECLQSQLTTIQSNEEHQQQEQQLLTDQLNQQINNLHDDYSKEVKKYSDLELKYNEVQVQLNTVQNHLESTNALKEELEVKITDLLKVQSELETMVSNNKQLHDKDKQLIKHLTNEQNEKYSQLFNEYNNLNKQLLDNNEQLKIEQNKLMDKSNELIIVNEELKQLKEFMSKMQNNYQIELNEQSEEIQSLQQTLNTTKNQFESIQTQFINKCESESVSHNTELQNIQTELTEAYKRIENLQCQLYSSIEQNTHLAKTMEEEHVDTLSEYQQHVYELIKLSNEACELLLKQSEQLSNKLNPIWNILETADQRLALINTNIDSVLVVTCKRFQTYATSVEQLQNELTILKSDLVTRNDVVNDLNMELEKKQDEINNLHLTLDKYNSFNQTIHNFICNDHRQLYQSLIKLCQSKITWILTEMNQSKQNLNNTDIENNNNEQDLYNEYNQIELDAKTLNESFNTMKHLIFSDFNAEHNVNSLELFCNWLNSESYTTSTDHLFKDLNKLDILDIRSQTLHKECINHFKHSIVHNHRLNTNELHVQLDSLKNHCNELNSQLIQAQLDNQKLAADQKSTDEKFNSIEGSLIKANQTIDELKRNESILKENYTNQLKLFEESQQTIYDLNKQLELITEKSNRLSKELTEKETVLNNTLEESDKVVSSLNTKYEQLQSELQKVQLEHANMLENYKTKYTNELNDLNKKYEMEKSQCIEQLNVEHQTALKNAVDTAVFTKEKQMKQQNSELRNRLKQVLQELETSKKLSATPSRREIELQNILHGTEEKLKQLQLEYADQCKSLEELQIKIEELESMNMEINDNSKKNQQDLWDHNCDSISEIHENYQMQIELLKTEQANCIQEMTREFGQKLSTKEREVIAQQKIENDQTLTKLKQMEQSHSEKLAYFEETISDYDRQNTRLKNRISELQLELKRLTDNNNNTVEARHEPIKVVDTPLTTSTQSMVSRHDVDVQCDIKLNENNALINTTTNTNICNHENGTASSTKLCSEVNNNTHLQSNDEHDDWIEKVRQEILQSDSIDSLHPALRQSRYPTSVPIRDYEALQLHNTDLQNQLQQLSADFEALRSKCTAACSSASNKNSLSESLHIHTVDNTVRSNNYSLSFNSIPPDYQHVLLTSPSDNRLHELVEYEYLKNVLFEYMQGRETQTLSKVLCSLMRFNADQTRKVLTYEDQKSKTWTIRTAME
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
1M35.5Very low34.3Very low240 Ų240167.7 Ų167.7100%1.18287%0.866SS**  0113.80-67.2165.5174.700108.2
2F27.4Very low34Very low207 Ų207169.1 Ų169.191%0.90887%0.866SS**  trans-140.492.2-178.7-98.3-88.6000108.8
3S32.6Very low34Very low119 Ų119162.4 Ų162.483%0.83286%0.864SS**  trans-159.5-25.7-177.8-66.90000117.5
4N40.5Very low33.9Very low152 Ų152159.9 Ų159.981%0.81386%0.858SS**  trans-125.5102.2-167.6-80.2-28.9000113.7
5L36.4Very low34Very low175 Ų175160.1 Ų160.192%0.91686%0.859SS**  172.283.1113.7-92.6166.1000110.6
6K33.2Very low34Very low218 Ų218162.4 Ų162.495%0.94886%0.859SS**  trans-115.293.9169.3-169.2171.7-175171.70110.5
7G36.3Very low34Very low61 Ų61160.1 Ų160.163%0.62986%0.859SS**  trans106.3135.6161.200000116.5
8L33.6Very low33.8Very low179 Ų179157.3 Ų157.394%0.93785%0.852SS**  -156.2120.4125-109.4167.5000109.9
9V32.3Very low33.8Very low125 Ų125161.3 Ų161.376%0.75885%0.854SS**  trans-119.3118.1178.7169.80000108.1
10K35.9Very low33.8Very low189 Ų189157.8 Ų157.882%0.82284%0.843SS**  trans167.6158.9144.3-97.6158.4-175.9176.80115.9
11K34.2Very low33.8Very low180 Ų180157.6 Ų157.678%0.78384%0.842SS**  trans78.3114.7171.9-63.8174.6179.4-177.80115
12E29.7Very low33.5Very low184 Ų184152.6 Ų152.686%0.8683%0.829SS**  cis80.4120.745.8-62.5171.8120.400113.7
13G34.1Very low33.8Very low82 Ų82146.7 Ų146.785%0.84583%0.826SS**  trans17581.5178.600000113.9
14T33.5Very low33.8Very low127 Ų127146.3 Ų146.378%0.77982%0.824SS**  trans-70.3148.8-176.751.70000115.4
15N34.4Very low33.6Very low163 Ų163146.2 Ų146.287%0.87283%0.829SS**  -166.4164.4123.7-103.1-36.2000114.8
16K34.1Very low33.3Very low198 Ų198144.6 Ų144.686%0.86182%0.821SS**  trans-123.8158.9-172.1-58.8175.8177.6-179.70112.4
17S33.7Very low33.4Very low123 Ų123139.8 Ų139.886%0.8682%0.815SS**  trans-159.2158.9141.4-161.60000111.5
18C30.8Very low33.1Very low109 Ų109147.5 Ų147.574%0.73683%0.825SS**  trans-142.1157.8-170.9-46.60000112.8
19R33.3Very low33.1Very low234 Ų234145.6 Ų145.688%0.88382%0.82SS**  trans169.7123.6145.7-94.7174.3165165.6-3.9107.4
20S34.9Very low32.9Very low90 Ų90144.7 Ų144.763%0.62982%0.82SS**  77.3122.255.289.30000114.1
21D33.6Very low32.7Very low154 Ų154146.5 Ų146.582%0.82482%0.823SS**  -168.1174.2100.5-85.3-2.1000109.7
22C29.4Very low32.5Very low136 Ų136142 Ų14292%0.91981%0.814SS**  trans-142156.1-169.256.60000113.1
23G33.5Very low32.4Very low82 Ų82143.9 Ų143.985%0.84581%0.813SS**  trans-154.4136.4178.200000111.7
24S33.4Very low32.4Very low111 Ų111149.7 Ų149.778%0.77682%0.816SS**  trans-132.3149-174.6167.90000110.6
25T35.5Very low32.3Very low150 Ų150151.6 Ų151.692%0.9282%0.82SS**  trans-157.2156.8145.612.50000110.9
26D30.9Very low32.2Very low142 Ų142147 Ų14776%0.75981%0.811SS**  trans-137139.6-169157.240.2000110.2
27S33.6Very low32.2Very low116 Ų116147 Ų14781%0.81181%0.814SS**  trans-160.2108165.261.90000115.1
28R29.9Very low32Very low223 Ų223146.6 Ų146.684%0.84281%0.811SS**  trans-34.2157.2158.4-60.1161.3161.3161.5-7.1116.9
29V33.8Very low32.1Very low139 Ų139150.6 Ų150.684%0.84282%0.819SS**  -170.3155.4107.8143.70000111.1
30S28.3Very low32.1Very low106 Ų106150 Ų15074%0.74182%0.817SS**  trans-121.6154.4-176.3-42.20000111.9
31Y31.8Very low32.1Very low228 Ų228151.5 Ų151.589%0.89482%0.823SS**  trans-153.8173.6152-113.1-76.2000111.8
32S29.6Very low32.2Very low85 Ų85152.4 Ų152.459%0.59483%0.827SS**  trans-150.9154.4-15066.80000117
33R29Very low32.3Very low223 Ų223150.4 Ų150.484%0.84282%0.821SS**  trans70.4134.6161.6-60.5177.9179.5155.40.2118.4
34F32.4Very low32.3Very low205 Ų205153.9 Ų153.990%0.89982%0.82SS**  -152.6179.3104.1-119-86000110.8
35L31.5Very low32.3Very low166 Ų166155.3 Ų155.387%0.86982%0.817SS**  trans-128.6155.2-166.5-70.7159.7000111.8
36G32.1Very low32.1Very low67 Ų67152.4 Ų152.469%0.69181%0.809SS**  trans170125.1161.700000114.6
37E34.1Very low32.1Very low198 Ų198155.1 Ų155.193%0.92581%0.814SS**  trans47.3113.3153.8-67.4154.9-150.300119.2
38S30.4Very low31.7Very low114 Ų114157.7 Ų157.780%0.79781%0.813SS**  cis93.998.722.9-175.90000116.8
39E32.7Very low31.6Very low193 Ų193152 Ų15290%0.90280%0.803SS**  -152.1168.7129.8-122.7169.5-163.300113.7
40R34.5Very low31.3Very low223 Ų223155.9 Ų155.984%0.84280%0.803SS**  trans-80.1139.4-156.5-71.9173.1177.9-175.1-3.3113.4
41T33.9Very low31.3Very low121 Ų121156.8 Ų156.874%0.74280%0.804SS**  65.7118.555.2730000116.1
42D35.3Very low31.2Very low172 Ų172151.2 Ų151.292%0.9280%0.798SS**  trans-150.4127.9137.9-103.1-16.4000109
43A31.1Very low31.1Very low95 Ų95152.3 Ų152.379%0.78581%0.806SS**  trans-162.2127.2174.400000109.3
44D34.4Very low31.3Very low154 Ų154147.9 Ų147.982%0.82480%0.804SS**  trans-168.1153.5179.4-100.8-17.8000108.6
45I33Very low31.1Very low141 Ų141146.3 Ų146.372%0.72380%0.799SS**  cis-159.9154.9-32-129.4-179.9000106.7
46A31.5Very low31Very low89 Ų89146.6 Ų146.674%0.73680%0.801SS**  trans-95.8150.6174.600000112
47F30.7Very low31Very low200 Ų200152.4 Ų152.488%0.87781%0.807SS**  trans-152.2152165.7-120-78.9000114.7
48E26.1Very low31.1Very low169 Ų169148.6 Ų148.679%0.7980%0.8SS**  trans-109.5-180-171.4-59.1-177.591.500115
49T28.2Very low31Very low103 Ų103149.1 Ų149.163%0.63280%0.798SS**  trans90.2108.1146.157.80000123.3
50R27Very low31.1Very low221 Ų221145.2 Ų145.283%0.83479%0.792SS**  78.2120.4117.4-69.9-179.8-179.6-173.31.8123.6
51T28.6Very low31.2Very low125 Ų125139.9 Ų139.977%0.76779%0.786SS**  91.2138.8125.756.80000124
52S29.5Very low30.9Very low111 Ų111139.2 Ų139.278%0.77679%0.787SS**  trans81.5149.7153.4-59.10000119.7
53S28Very low30.7Very low109 Ų109137.5 Ų137.576%0.76278%0.782SS**  cis-178.4177.5-27.9-101.40000110.4
54V32.2Very low30.7Very low130 Ų130137.1 Ų137.179%0.78878%0.779SS**  trans78.3104.2170.2-170.70000114.5
55Q27.9Very low30.4Very low171 Ų171134.5 Ų134.580%0.79977%0.772SS**  74.2120.862.5-70.4-166.77.100117
56L29.6Very low30.3Very low172 Ų172134.6 Ų134.690%0.90178%0.775SS**  -174.1161.1110.9-97.6168.5000112.1
57K33.2Very low30.2Very low189 Ų189139.5 Ų139.582%0.82278%0.782SS**  trans-149.8138.2-171.5-173.8-178.3-173.2176.70111.3
58P35.1Very low30Very low119 Ų119133.2 Ų133.277%0.77377%0.774SS**  trans-148.4174.4133.637.7-22.4000113.8
59T29.1Very low30.1Very low125 Ų125136.4 Ų136.477%0.76778%0.778SS**  cis-174.4137.4-33.5-79.90000106.5
60S34Very low30.2Very low110 Ų110136.6 Ų136.677%0.76978%0.78SS**  trans-90.4158.7179.6-47.20000113.8
61P36.1Very low30.3Very low111 Ų111132.5 Ų132.572%0.72177%0.774SS**  -131.1149.8121.616.34.5000111.2
62S29.5Very low30.2Very low108 Ų108132.3 Ų132.376%0.75577%0.768SS**  67.9136.354.4106.60000113.3
63V30Very low30.5Very low136 Ų136133.8 Ų133.882%0.82477%0.766SS**  cis-165.7178.8-1.5103.40000109.2
64A30.3Very low30.5Very low87 Ų87135.1 Ų135.172%0.71977%0.77SS**  trans80.3129.8175.500000115.5
65S28.5Very low30.7Very low98 Ų98136.7 Ų136.769%0.68577%0.768SS**  cis95.6111.532.5-174.90000113.5
66N31.3Very low30.9Very low144 Ų144134.5 Ų134.577%0.7777%0.772SS**  179.9158119.8-84.6-12.7000112.8
67H29Very low31Very low192 Ų192133.4 Ų133.489%0.88977%0.767SS**  trans-57.2164.8174.7-39.2-66.4000113
68G26.8Very low30.8Very low68 Ų68129.5 Ų129.570%0.70176%0.764SS**  cis154.6-173.29.300000109.9
69R28Very low30.5Very low235 Ų235131 Ų13189%0.88777%0.765SS**  trans70.1129.5-174.3-67.1-174.6161.5158.6-4.8114.6
70T30.5Very low30.6Very low108 Ų108130.4 Ų130.466%0.66377%0.766SS**  cis85.9131.436.673.90000114.5
71N28.7Very low30.3Very low134 Ų134132.3 Ų132.372%0.71777%0.768SS**  trans73.4147.8169-62.656.4000115.4
72D26.7Very low29.9Very low121 Ų121131 Ų13165%0.64777%0.767SS**  cis-155.2171.6-3.1-122.1-27.5000114.7
73I35.9Very low29.8Very low143 Ų143134 Ų13473%0.73377%0.767SS**  trans-41.2140.5164.7-58.6152.4000113.9
74T27.9Very low29.7Very low136 Ų136134.3 Ų134.383%0.83476%0.759SS**  -167.4155.4129.69.80000115.6
75E37.2Very low29.7Very low163 Ų163136.2 Ų136.276%0.76276%0.757SS**  trans-75.2167-177.3-52.5153.7129.900113.2
76S30.9Very low29.6Very low126 Ų126141.1 Ų141.188%0.88177%0.766SS**  trans-154.3115.6153.5-75.70000110.9
77N32.9Very low29.6Very low149 Ų149139.4 Ų139.480%0.79777%0.765SS**  trans-74.1157.7169.9-63.9-64.4000111
78S28.7Very low30.2Very low107 Ų107135.3 Ų135.375%0.74876%0.756SS**  trans174.5110131.8-75.40000112.2
79D28.7Very low30.2Very low150 Ų150137.5 Ų137.580%0.80276%0.755SS**  48.3125.7125.9-56.7-35.2000120.1
80S30.6Very low30.2Very low113 Ų113130.9 Ų130.979%0.7975%0.745SS**  -178.4162.570.639.40000114.7
81N27.8Very low30.1Very low149 Ų149134.2 Ų134.280%0.79775%0.751SS**  trans-47.7160.1172.7-50.9-82.8000113.8
82A27.8Very low30.1Very low85 Ų85134.2 Ų134.270%0.70275%0.746SS**  cis-175148.647.400000116.9
83F26.7Very low30.2Very low171 Ų171133.9 Ų133.975%0.7575%0.749SS**  69.6118130-81.8-127.7000123.7
84Q27.8Very low29.9Very low141 Ų141133 Ų13366%0.65975%0.746SS**  85.7111.6128.4-72.5-169.88.600123.3
85N31.2Very low30Very low127 Ų127133.1 Ų133.168%0.67974%0.741SS**  46.5108.6115-54-11.6000119.6
86K27.1Very low29.7Very low202 Ų202130.3 Ų130.388%0.87874%0.735SS**  179.6137.4102.9-95.7151-170167.20114.8
87S31.3Very low29.8Very low108 Ų108132.9 Ų132.976%0.75573%0.73SS**  trans-73.6-178.6155.5-8.90000110.8
88P40.4Very low29.5Very low106 Ų106132.4 Ų132.469%0.68873%0.727SS**  cis-137-148.7-12.634.4-11.8000112.1
89T27.6Very low29.8Very low113 Ų113134.3 Ų134.369%0.69373%0.728SS**  trans77.394.9147.439.80000121
90S28.6Very low29.7Very low97 Ų97137.1 Ų137.168%0.67873%0.733SS**  78.8138.810875.40000121.1
91K28.2Very low29.9Very low178 Ų178137 Ų13777%0.77473%0.731SS**  trans69.5151.7160.6-71.2178.1168.5-90.30115.6
92E28.6Very low29.9Very low134 Ų134136.8 Ų136.863%0.62674%0.735SS**  cis-175.2-177.7-20.7-165.2158.2-166.100104.3
93T29.2Very low30.2Very low113 Ų113136.2 Ų136.269%0.69374%0.738SS**  trans62122.6164.6570000119.3
94D29.1Very low31.3Very low126 Ų126133.4 Ų133.467%0.67474%0.736SS**  71.1100.4129.6-70.2-58.4000122.7
95N30.8Very low31.4Very low137 Ų137136.1 Ų136.173%0.73375%0.746SS**  73.1142.6107.4-92.6-57.3000122.2
96V30.1Very low31.4Very low105 Ų105133.3 Ų133.364%0.63675%0.748SS**  trans78.394.6142.61710000119.4
97K32.9Very low31.7Very low179 Ų179131.7 Ų131.778%0.77874%0.743SS**  79.2151.7127.5-69.5-176.8-168.91710122.7
98L27Very low31.8Very low140 Ų140133.4 Ų133.473%0.73374%0.743SS**  trans79.597.9146.3-77.2157.4000120.4
99L34.6Very low31.5Very low147 Ų147134.2 Ų134.277%0.7774%0.742SS**  39.7114.8118.9-92145.4000118.8
100K26.2Very low31.9Very low209 Ų209136 Ų13691%0.90975%0.747SS**  trans-153.4125.3149.4-119.8170-173.7172.30112.6
101C34.7Very low32.4Very low111 Ų111135.9 Ų135.975%0.7575%0.746SS**  trans-102.1143.1173.9-44.30000110.6
102T28.6Very low32.8Very low144 Ų144134 Ų13488%0.88375%0.745SS**  trans-154.2123.8161.642.80000110.3
103G33.3Very low33Very low73 Ų73133 Ų13375%0.75375%0.751SS**  trans-97.5-137.7164.900000110.6
104P49.6Very low33.3Very low111 Ų111131 Ų13172%0.72175%0.753SS**  cis-137.5-135.4-15.941.9-21.2000112
105F30.7Very low33.9Very low198 Ų198130.3 Ų130.387%0.86876%0.758SS**  trans82.6131.6-175-56.9-78.1000114.4
106G30.8Very low34Very low69 Ų69129.9 Ų129.971%0.71176%0.76SS**  cis-152.2-155.7-4.300000109.6
107E32.8Very low34.2Very low167 Ų167132.5 Ų132.578%0.7877%0.767SS**  cis-171.5143.5-15-120.3171165.900110.8
108L34.4Very low34.4Very low144 Ų144128.1 Ų128.175%0.75476%0.759SS**  trans63.6146.3164.7-48.5177000119.4
109D34.6Very low34.9Very low123 Ų123126.9 Ų126.966%0.65876%0.762SS**  cis-161.4158.2-9.2-106.2-15.6000112.6
110D36.4Very low34.9Very low151 Ų151125.3 Ų125.381%0.80776%0.759SS**  trans54.7155.6153.3-75.7-9.3000122.1
111S37.5Very low35.5Very low95 Ų95124.7 Ų124.766%0.66476%0.757SS**  cis-178.5155.2-7.5163.40000105.5
112D36.5Very low35.5Very low137 Ų137130.7 Ų130.773%0.73376%0.764SS**  cis-160-168.52.7-129-97.3000107.6
113C34.2Very low35.7Very low114 Ų114131.9 Ų131.977%0.7776%0.764SS**  cis-157.8175.5-1.5-158.70000110.1
114G34.6Very low35.9Very low70 Ų70132.3 Ų132.372%0.72276%0.755SS**  trans88136.7142.600000120.7
115S41.5Very low35.3Very low113 Ų113133.3 Ų133.379%0.7976%0.76SS**  174.7169.1-65.1-172.20000111.2
116V33.2Very low36.2Very low127 Ų127129.3 Ų129.377%0.7774%0.744SS**  trans75.1147.9169.4174.60000116.6
117M34.2Very low36.8Very low160 Ų160131 Ų13179%0.78874%0.74SS**  cis-169.3172.1-28.9-91.9-171.871.800107.1
118S38Very low37.7Very low87 Ų87126.8 Ų126.861%0.60873%0.729SS**  cis-178.4-172.2-32.6-77.10000109.4
119S36.4Very low38.9Very low114 Ų114124.2 Ų124.280%0.79772%0.716SS**  trans79167.117083.60000117.2
120T35.2Very low40.1Very low115 Ų115121.1 Ų121.171%0.70670%0.699SS**  cis-145.9173.31.1-410000112.2
121F38.2Very low41.7Very low196 Ų196120.4 Ų120.486%0.8669%0.691SS**  trans79.9141.9158.7-90.5-71.9000122.8
122R34.6Very low43.4Very low237 Ų237118 Ų11889%0.89467%0.674SS**  trans-156.4155.5177.3-75.2-173.4176.1-167.61.1110.6
123L34.3Very low45Very low168 Ų168118.5 Ų118.588%0.8867%0.666SS**  trans-157.6171.9145.8-110.4174.7000109.9
124S36.3Very low46.6Very low83 Ų83115.8 Ų115.858%0.5865%0.648SS**  trans-153.5137.5-157.556.30000116.5
125T37.9Very low48.5Very low132 Ų132118.9 Ų118.981%0.8164%0.643SS**SBendtrans-159.5-30.2153.914.90000114.3T127T125-T127 PolarHBondContact O-N 2.81Å
126E49.6Very low50.3Low114 Ų114120.6 Ų120.653%0.53363%0.632SS.*  trans-69.550.1177-68.9-179.1159.900113.2S128 D129 I130 R133E126-S128 VanDerWaalsContact C-N 3.31Å; E126-S128 PolarHBondContact O-N 2.96Å; E126-D129 HydrophobicContact CB-CB 4.35Å; E126-D129 PolarHBondContact O-N 3.13Å; E126-I130 HydrophobicContact CB-CD1 3.87Å; E126-I130 HydrophobicContact CB-CG1 3.89Å; E126-I130 VanDerWaalsContact O-CB 3.29Å; E126-I130 WeakPolarHBondContact O-CB 3.3Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.42Å; E126-R133 IonicContact OE2-NH1 2.72Å
127T42.3Very low52.4Low103 Ų103119 Ų11963%0.63262%0.622SS**Hα-helixtrans-55.5-36.2-163.149.30000115.5T125 Q131T125-T127 PolarHBondContact O-N 2.81Å; T127-Q131 WeakPolarHBondContact O-CB 3.28Å; T127-Q131 PolarHBondContact O-N 3.08Å
128S52.3Low54.7Low80 Ų80119.9 Ų119.956%0.55962%0.618SS**Hα-helixtrans-69.7-45.4175.4-172.90000113E126 Q131 S132E126-S128 VanDerWaalsContact C-N 3.31Å; E126-S128 PolarHBondContact O-N 2.96Å; S128-Q131 PolarHBondContact O-N 3.25Å; S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.42Å; S128-S132 PolarHBondContact O-OG 3.13Å
129D59.6Low56.7Low90 Ų90120.6 Ų120.648%0.48161%0.612SS.*Hα-helixtrans-76.8-29.8178.9-74-62000112.5E126 S132 R133E126-D129 HydrophobicContact CB-CB 4.35Å; E126-D129 PolarHBondContact O-N 3.13Å; D129-S132 CarbonylContact O-C 3.55Å; D129-S132 PolarHBondContact O-N 3.3Å; D129-R133 WeakPolarHBondContact O-CB 3.28Å; D129-R133 WeakPolarHBondContact O-CG 3.27Å; D129-R133 PolarHBondContact O-N 2.76Å
130I59.2Low58.9Low57 Ų57121.7 Ų121.729%0.29261%0.606SS.*Hα-helixtrans-66.3-42.3167.3-70.2166.2000109.6E126 R133 C134E126-I130 HydrophobicContact CB-CD1 3.87Å; E126-I130 HydrophobicContact CB-CG1 3.89Å; E126-I130 VanDerWaalsContact O-CB 3.29Å; E126-I130 WeakPolarHBondContact O-CB 3.3Å; E126-I130 VanDerWaalsContact O-CG1 3.3Å; E126-I130 WeakPolarHBondContact O-CG1 3.48Å; E126-I130 PolarHBondContact O-N 3.42Å; I130-R133 PolarHBondContact O-N 3.15Å; I130-C134 WeakPolarHBondContact O-CB 3.31Å; I130-C134 PolarHBondContact O-N 2.73Å; I130-C134 PolarHBondContact O-SG 3.44Å
131Q70.8Confident61Low136 Ų136118.8 Ų118.864%0.63659%0.594SS**Hα-helixtrans-63.9-42.5173.7-176167.4-10.300110.9T127 S128 C134 Q135T127-Q131 WeakPolarHBondContact O-CB 3.28Å; T127-Q131 PolarHBondContact O-N 3.08Å; S128-Q131 PolarHBondContact O-N 3.25Å; Q131-C134 PolarHBondContact O-N 3.43Å; Q131-Q135 VanDerWaalsContact O-CB 3.29Å; Q131-Q135 WeakPolarHBondContact O-CB 3.49Å; Q131-Q135 PolarHBondContact O-N 2.75Å
132S72.8Confident63.2Low46 Ų46117.4 Ų117.432%0.32258%0.583SS.*Hα-helixtrans-71-29177.7-57.40000113.6S128 D129 R136S128-S132 WeakPolarHBondContact O-CB 3.48Å; S128-S132 PolarHBondContact O-N 3.42Å; S128-S132 PolarHBondContact O-OG 3.13Å; D129-S132 CarbonylContact O-C 3.55Å; D129-S132 PolarHBondContact O-N 3.3Å; S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 WeakPolarHBondContact O-CG 3.08Å; S132-R136 PolarHBondContact O-N 2.98Å; S132-R136 VanDerWaalsContact O-N 3.17Å; S132-R136 PolarHBondContact O-NE 2.68Å; S132-R136 VanDerWaalsContact O-NE 3.13Å
133R70.7Confident65.6Low147 Ų147109.9 Ų109.956%0.55556%0.561SS**Hα-helixtrans-76.3-44.3170.5-77168.471.4172.63.4110.6E126 D129 I130 Q135 R136 V137E126-R133 IonicContact OE2-NH1 2.72Å; D129-R133 WeakPolarHBondContact O-CB 3.28Å; D129-R133 WeakPolarHBondContact O-CG 3.27Å; D129-R133 PolarHBondContact O-N 2.76Å; I130-R133 PolarHBondContact O-N 3.15Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; R133-R136 CarbonylContact O-C 3.53Å; R133-R136 PolarHBondContact O-N 2.96Å; R133-V137 WeakPolarHBondContact O-CB 3.49Å; R133-V137 VanDerWaalsContact O-CG2 3.24Å; R133-V137 WeakPolarHBondContact O-CG2 3.13Å; R133-V137 PolarHBondContact O-N 2.79Å
134C67.1Low68Low57 Ų57109.7 Ų109.739%0.38555%0.549SS..Hα-helixtrans-59.2-43.2172.9-77.60000111.3I130 Q131 V137 Y138I130-C134 WeakPolarHBondContact O-CB 3.31Å; I130-C134 PolarHBondContact O-N 2.73Å; I130-C134 PolarHBondContact O-SG 3.44Å; Q131-C134 PolarHBondContact O-N 3.43Å; C134-V137 CarbonylContact O-C 3.46Å; C134-V137 PolarHBondContact O-N 2.71Å; C134-Y138 HydrophobicContact CB-CD2 4.46Å; C134-Y138 HydrophobicContact CB-CE2 4.45Å; C134-Y138 WeakPolarHBondContact O-CB 3.49Å; C134-Y138 WeakPolarHBondContact O-CD2 3.34Å; C134-Y138 PolarHBondContact O-N 2.85Å
135Q74.9Confident70.3Confident135 Ų135112.6 Ų112.663%0.63155%0.552SS**Hα-helixtrans-67.8-39178.5-162.616911.900111.7Q131 R133 Q139Q131-Q135 VanDerWaalsContact O-CB 3.29Å; Q131-Q135 WeakPolarHBondContact O-CB 3.49Å; Q131-Q135 PolarHBondContact O-N 2.75Å; R133-Q135 VanDerWaalsContact C-N 3.33Å; R133-Q135 PolarHBondContact O-N 2.89Å; Q135-Q139 WeakPolarHBondContact O-CB 3.47Å; Q135-Q139 PolarHBondContact O-N 3.03Å
136R78.3Confident72.6Confident148 Ų148110.1 Ų110.156%0.55853%0.532SS*.Hα-helixtrans-63.1-42.2168.7-80.2-177.9-75.6176.2-7.2112.6S132 R133 Q139 M140S132-R136 WeakPolarHBondContact O-CB 3.42Å; S132-R136 WeakPolarHBondContact O-CG 3.08Å; S132-R136 PolarHBondContact O-N 2.98Å; S132-R136 VanDerWaalsContact O-N 3.17Å; S132-R136 PolarHBondContact O-NE 2.68Å; S132-R136 VanDerWaalsContact O-NE 3.13Å; R133-R136 CarbonylContact O-C 3.53Å; R133-R136 PolarHBondContact O-N 2.96Å; R136-Q139 PolarHBondContact O-N 3.36Å; R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 VanDerWaalsContact O-CG 3.28Å; R136-M140 WeakPolarHBondContact O-CG 3.15Å; R136-M140 PolarHBondContact O-N 3.34Å
137V78.7Confident74.3Confident93 Ų93111.9 Ų111.956%0.56454%0.538SS*.Hα-helixtrans-68.3-38.8178167.10000111.4R133 C134 M140 A141R133-V137 WeakPolarHBondContact O-CB 3.49Å; R133-V137 VanDerWaalsContact O-CG2 3.24Å; R133-V137 WeakPolarHBondContact O-CG2 3.13Å; R133-V137 PolarHBondContact O-N 2.79Å; C134-V137 CarbonylContact O-C 3.46Å; C134-V137 PolarHBondContact O-N 2.71Å; V137-M140 PolarHBondContact O-N 3.41Å; V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.72Å
138Y81.9Confident76.3Confident179 Ų179113.3 Ų113.370%0.70253%0.533SS*.Hα-helixtrans-64.3-39.8171.2-81.2-59.8000111.4C134 A141 R142C134-Y138 HydrophobicContact CB-CD2 4.46Å; C134-Y138 HydrophobicContact CB-CE2 4.45Å; C134-Y138 WeakPolarHBondContact O-CB 3.49Å; C134-Y138 WeakPolarHBondContact O-CD2 3.34Å; C134-Y138 PolarHBondContact O-N 2.85Å; Y138-A141 PolarHBondContact O-N 2.95Å; Y138-R142 VanDerWaalsContact O-CB 3.22Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 3.46Å
139Q81Confident78Confident103 Ų103113.9 Ų113.948%0.48153%0.527SS..Hα-helixtrans-69.2-39175.2-163.467.49.900111.8Q135 R136 R142 N143Q135-Q139 WeakPolarHBondContact O-CB 3.47Å; Q135-Q139 PolarHBondContact O-N 3.03Å; R136-Q139 PolarHBondContact O-N 3.36Å; Q139-R142 PolarHBondContact O-N 3.05Å; Q139-N143 VanDerWaalsContact O-CB 3.31Å; Q139-N143 WeakPolarHBondContact O-CB 2.93Å; Q139-N143 PolarHBondContact O-N 2.76Å; Q139-N143 PolarHBondContact O-OD1 3.16Å
140M81.6Confident79.3Confident136 Ų136114.9 Ų114.967%0.6753%0.529SS*.Hα-helixtrans-66-41173.2-73.2175.2113.700111.8R136 V137 N143 Y144R136-M140 WeakPolarHBondContact O-CB 3.23Å; R136-M140 VanDerWaalsContact O-CG 3.28Å; R136-M140 WeakPolarHBondContact O-CG 3.15Å; R136-M140 PolarHBondContact O-N 3.34Å; V137-M140 PolarHBondContact O-N 3.41Å; M140-N143 PolarHBondContact O-N 3.14Å; M140-Y144 VanDerWaalsContact O-CB 3.26Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.48Å
141A79.7Confident80.5Confident54 Ų54117 Ų11745%0.44654%0.54SS..Hα-helixtrans-68.4-35.4175.100000112.1V137 Y138 K145V137-A141 WeakPolarHBondContact O-CB 3.21Å; V137-A141 PolarHBondContact O-N 2.72Å; Y138-A141 PolarHBondContact O-N 2.95Å; A141-K145 WeakPolarHBondContact O-CB 3.46Å; A141-K145 PolarHBondContact O-N 2.83Å
142R84.5Confident81.3Confident167 Ų167112.9 Ų112.963%0.6352%0.524SS*.Hα-helixtrans-66.9-44.6171.7-173.5175.3-174.8163.83.1111.3Y138 Q139 K145 I146Y138-R142 VanDerWaalsContact O-CB 3.22Å; Y138-R142 WeakPolarHBondContact O-CB 3.29Å; Y138-R142 PolarHBondContact O-N 3.46Å; Q139-R142 PolarHBondContact O-N 3.05Å; R142-K145 PolarHBondContact O-N 3.42Å; R142-I146 HydrophobicContact CG-CD1 4.12Å; R142-I146 VanDerWaalsContact O-CG1 3.27Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 2.78Å
143N84.2Confident81.9Confident80 Ų80115.1 Ų115.143%0.42853%0.53SS..Hα-helixtrans-65.8-37.4175.6-70.10.6000111.7Q139 M140 I146 K147Q139-N143 VanDerWaalsContact O-CB 3.31Å; Q139-N143 WeakPolarHBondContact O-CB 2.93Å; Q139-N143 PolarHBondContact O-N 2.76Å; Q139-N143 PolarHBondContact O-OD1 3.16Å; M140-N143 PolarHBondContact O-N 3.14Å; N143-I146 PolarHBondContact O-N 3.48Å; N143-K147 WeakPolarHBondContact O-CB 3.49Å; N143-K147 WeakPolarHBondContact O-CG 3.46Å; N143-K147 PolarHBondContact O-N 3.18Å
144Y84.4Confident82.6Confident163 Ų163110.6 Ų110.664%0.63952%0.523SS*.Hα-helixtrans-66.5-44.1173.2-174.9-89.7000111M140 I146 K147 Y148M140-Y144 VanDerWaalsContact O-CB 3.26Å; M140-Y144 WeakPolarHBondContact O-CB 3.35Å; M140-Y144 PolarHBondContact O-N 3.48Å; Y144-I146 VanDerWaalsContact C-N 3.32Å; Y144-I146 PolarHBondContact O-N 2.76Å; Y144-K147 PolarHBondContact O-N 2.79Å; Y144-Y148 VanDerWaalsContact O-CB 3.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.36Å; Y144-Y148 PolarHBondContact O-N 3.32Å
145K85.7Confident83.5Confident145 Ų145114.8 Ų114.863%0.6353%0.532SS*.Hα-helixtrans-59.1-42.9173-173.4178-179.5-178.80111.3A141 R142 Y148 Q149A141-K145 WeakPolarHBondContact O-CB 3.46Å; A141-K145 PolarHBondContact O-N 2.83Å; R142-K145 PolarHBondContact O-N 3.42Å; K145-Y148 PolarHBondContact O-N 2.86Å; K145-Q149 WeakPolarHBondContact O-CB 3.37Å; K145-Q149 PolarHBondContact O-N 3.21Å
146I86.1Confident84.1Confident79 Ų79115.4 Ų115.441%0.40553%0.533SS..Hα-helixtrans-63.9-47176-69.3162.8000110.8R142 N143 Y144 Y148 Q149 Q150R142-I146 HydrophobicContact CG-CD1 4.12Å; R142-I146 VanDerWaalsContact O-CG1 3.27Å; R142-I146 WeakPolarHBondContact O-CG1 3.3Å; R142-I146 PolarHBondContact O-N 2.78Å; N143-I146 PolarHBondContact O-N 3.48Å; Y144-I146 VanDerWaalsContact C-N 3.32Å; Y144-I146 PolarHBondContact O-N 2.76Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.72Å; I146-Q149 WeakPolarHBondContact O-CB 3.35Å; I146-Q149 PolarHBondContact O-N 2.71Å; I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CB 3.49Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.33Å; I146-Q150 PolarHBondContact O-N 2.78Å
147K85.6Confident84.3Confident151 Ų151111.9 Ų111.966%0.65753%0.527SS*.Hα-helixtrans-63.2-37.2176.5-76.8-169.7172-161.60113N143 Y144 L151N143-K147 WeakPolarHBondContact O-CB 3.49Å; N143-K147 WeakPolarHBondContact O-CG 3.46Å; N143-K147 PolarHBondContact O-N 3.18Å; Y144-K147 PolarHBondContact O-N 2.79Å; K147-L151 WeakPolarHBondContact O-CB 3.33Å; K147-L151 PolarHBondContact O-N 3.35Å
148Y84.5Confident84.4Confident134 Ų134112.3 Ų112.353%0.52553%0.525SS..Hα-helixtrans-68.7-41.5175.2-173.5-90000111.2Y144 K145 I146 L151 V152Y144-Y148 VanDerWaalsContact O-CB 3.27Å; Y144-Y148 WeakPolarHBondContact O-CB 3.36Å; Y144-Y148 PolarHBondContact O-N 3.32Å; K145-Y148 PolarHBondContact O-N 2.86Å; I146-Y148 VanDerWaalsContact C-N 3.33Å; I146-Y148 PolarHBondContact O-N 2.72Å; Y148-L151 PolarHBondContact O-N 3.01Å; Y148-V152 HydrophobicContact CD1-CG2 4.05Å; Y148-V152 HydrophobicContact CE1-CG2 3.68Å; Y148-V152 WeakPolarHBondContact O-CB 3.39Å; Y148-V152 WeakPolarHBondContact O-CG2 3.36Å; Y148-V152 PolarHBondContact O-N 2.94Å
149Q87.8Confident84.4Confident92 Ų92108 Ų10843%0.4351%0.511SS..Hα-helixtrans-58.8-48.1173-169.676.839.500110.7K145 I146 L151 V152 E153K145-Q149 WeakPolarHBondContact O-CB 3.37Å; K145-Q149 PolarHBondContact O-N 3.21Å; I146-Q149 WeakPolarHBondContact O-CB 3.35Å; I146-Q149 PolarHBondContact O-N 2.71Å; Q149-L151 PolarHBondContact O-N 3.34Å; Q149-V152 PolarHBondContact O-N 2.81Å; Q149-E153 VanDerWaalsContact CG-OE1 3.32Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.37Å; Q149-E153 PolarHBondContact NE2-OE1 2.83Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.16Å; Q149-E153 WeakPolarHBondContact O-CB 3.35Å; Q149-E153 WeakPolarHBondContact O-CG 3.43Å; Q149-E153 PolarHBondContact O-N 2.81Å
150Q85.3Confident84.5Confident111 Ų111105.6 Ų105.652%0.51951%0.506SS..Hα-helixtrans-63-37.6175.1-71.9174.7-48.800112.8I146 E153 A154I146-Q150 HydrophobicContact CG2-CG 4.46Å; I146-Q150 WeakPolarHBondContact O-CB 3.49Å; I146-Q150 VanDerWaalsContact O-CG 3.29Å; I146-Q150 WeakPolarHBondContact O-CG 3.33Å; I146-Q150 PolarHBondContact O-N 2.78Å; Q150-E153 PolarHBondContact O-N 3.05Å; Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 3.14Å
151L85Confident84.4Confident100 Ų100104.1 Ų104.152%0.52450%0.497SS..Hα-helixtrans-68.9-38.1175.9-177.563.3000111.7K147 Y148 Q149 Y155K147-L151 WeakPolarHBondContact O-CB 3.33Å; K147-L151 PolarHBondContact O-N 3.35Å; Y148-L151 PolarHBondContact O-N 3.01Å; Q149-L151 PolarHBondContact O-N 3.34Å; L151-Y155 HydrophobicContact CD1-CD2 4.39Å; L151-Y155 WeakPolarHBondContact O-CB 3.32Å; L151-Y155 PolarHBondContact O-N 2.77Å
152V88.2Confident84.7Confident50 Ų50106.9 Ų106.930%0.30350%0.496SS..Hα-helixtrans-69.1-36.6173.5168.60000111.3Y148 Q149 Y155 K156Y148-V152 HydrophobicContact CD1-CG2 4.05Å; Y148-V152 HydrophobicContact CE1-CG2 3.68Å; Y148-V152 WeakPolarHBondContact O-CB 3.39Å; Y148-V152 WeakPolarHBondContact O-CG2 3.36Å; Y148-V152 PolarHBondContact O-N 2.94Å; Q149-V152 PolarHBondContact O-N 2.81Å; V152-Y155 PolarHBondContact O-N 3.3Å; V152-K156 WeakPolarHBondContact O-CB 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.44Å; V152-K156 PolarHBondContact O-N 3.03Å
153E85Confident84.7Confident94 Ų94102.3 Ų102.344%0.43948%0.484SS..Hα-helixtrans-67-44.3173.5-76.4158.6-167.900111.1Q149 Q150 Y155 K156 V157Q149-E153 VanDerWaalsContact CG-OE1 3.32Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.37Å; Q149-E153 PolarHBondContact NE2-OE1 2.83Å; Q149-E153 VanDerWaalsContact NE2-OE1 3.16Å; Q149-E153 WeakPolarHBondContact O-CB 3.35Å; Q149-E153 WeakPolarHBondContact O-CG 3.43Å; Q149-E153 PolarHBondContact O-N 2.81Å; Q150-E153 PolarHBondContact O-N 3.05Å; E153-Y155 PolarHBondContact O-N 3.46Å; E153-K156 PolarHBondContact O-N 2.93Å; E153-V157 WeakPolarHBondContact O-CG2 3.1Å; E153-V157 PolarHBondContact O-N 3.05Å
154A85Confident84.7Confident51 Ų51103.2 Ų103.242%0.42149%0.489SS..Hα-helixtrans-62.2-41172.500000112.5Q150 K156 V157 M158Q150-A154 WeakPolarHBondContact O-CB 3.32Å; Q150-A154 PolarHBondContact O-N 3.14Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.62Å; A154-V157 PolarHBondContact O-N 2.84Å; A154-M158 WeakPolarHBondContact O-CB 3.45Å; A154-M158 PolarHBondContact O-N 2.81Å
155Y86.3Confident84.6Confident145 Ų145100.9 Ų100.957%0.56949%0.487SS*.Hα-helixtrans-63.4-38.3173.2-112.9-85.8000112.1L151 V152 E153 M158 E159L151-Y155 HydrophobicContact CD1-CD2 4.39Å; L151-Y155 WeakPolarHBondContact O-CB 3.32Å; L151-Y155 PolarHBondContact O-N 2.77Å; V152-Y155 PolarHBondContact O-N 3.3Å; E153-Y155 PolarHBondContact O-N 3.46Å; Y155-M158 PolarHBondContact O-N 2.82Å; Y155-E159 WeakPolarHBondContact O-CB 3.25Å; Y155-E159 PolarHBondContact O-N 3.19Å
156K86.8Confident84.4Confident148 Ų14899.4 Ų99.464%0.64348%0.482SS*.Hα-helixtrans-66.8-38.2174.7-77.9178.8176-1690112.8V152 E153 A154 S160V152-K156 WeakPolarHBondContact O-CB 3.29Å; V152-K156 WeakPolarHBondContact O-CG 3.44Å; V152-K156 PolarHBondContact O-N 3.03Å; E153-K156 PolarHBondContact O-N 2.93Å; A154-K156 VanDerWaalsContact C-N 3.34Å; A154-K156 PolarHBondContact O-N 2.62Å; K156-S160 WeakPolarHBondContact O-CB 3.2Å; K156-S160 PolarHBondContact O-N 2.78Å; K156-S160 PolarHBondContact O-OG 3.32Å
157V83.5Confident84.3Confident74 Ų74102.2 Ų102.245%0.44849%0.494SS..Hα-helixtrans-63.3-51.4172.7172.40000109.6E153 A154 E159 S160 E161E153-V157 WeakPolarHBondContact O-CG2 3.1Å; E153-V157 PolarHBondContact O-N 3.05Å; A154-V157 PolarHBondContact O-N 2.84Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.3Å; V157-S160 CarbonylContact O-C 3.53Å; V157-S160 WeakPolarHBondContact O-CA 3.38Å; V157-S160 WeakPolarHBondContact O-CB 3.46Å; V157-S160 PolarHBondContact O-N 3.33Å; V157-S160 PolarHBondContact O-OG 3.14Å; V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.22Å; V157-E161 PolarHBondContact O-N 2.92Å
158M81.2Confident84Confident103 Ų103100.6 Ų100.651%0.50749%0.491SS..Hα-helixtrans-59.3-38.5177.5-168.8-167.6-53.800112.9A154 Y155 E161 R162A154-M158 WeakPolarHBondContact O-CB 3.45Å; A154-M158 PolarHBondContact O-N 2.81Å; Y155-M158 PolarHBondContact O-N 2.82Å; M158-E161 PolarHBondContact O-N 2.83Å; M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.48Å; M158-R162 PolarHBondContact O-N 3.16Å
159E81.5Confident83.7Confident88 Ų8899.1 Ų99.141%0.41149%0.492SS..Hα-helixtrans-65.4-39.9173.3-169.581.7-101.600111.2Y155 V157 R162 N163Y155-E159 WeakPolarHBondContact O-CB 3.25Å; Y155-E159 PolarHBondContact O-N 3.19Å; V157-E159 VanDerWaalsContact C-N 3.32Å; V157-E159 PolarHBondContact O-N 3.3Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 IonicContact OE1-CZ 3.76Å; E159-R162 IonicContact OE1-NE 2.83Å; E159-R162 PolarHBondContact OE1-NE 3.16Å; E159-R162 IonicContact OE1-NH2 3.79Å; E159-R162 PolarHBondContact OE1-NH2 3.03Å; E159-N163 WeakPolarHBondContact O-CB 3.28Å; E159-N163 PolarHBondContact O-N 3.35Å; E159-N163 PolarHBondContact O-ND2 2.84Å
160S82.2Confident83.4Confident53 Ų5397.3 Ų97.337%0.37149%0.492SS..Hα-helixtrans-68.9-38.8174.974.80000112.3K156 V157 N163 N164K156-S160 WeakPolarHBondContact O-CB 3.2Å; K156-S160 PolarHBondContact O-N 2.78Å; K156-S160 PolarHBondContact O-OG 3.32Å; V157-S160 CarbonylContact O-C 3.53Å; V157-S160 WeakPolarHBondContact O-CA 3.38Å; V157-S160 WeakPolarHBondContact O-CB 3.46Å; V157-S160 PolarHBondContact O-N 3.33Å; V157-S160 PolarHBondContact O-OG 3.14Å; S160-N163 PolarHBondContact O-N 3.18Å; S160-N164 WeakPolarHBondContact O-CB 3.37Å; S160-N164 PolarHBondContact O-N 3.27Å; S160-N164 PolarHBondContact O-ND2 2.98Å; S160-N164 PolarHBondContact O-OD1 2.96Å
161E80.4Confident83Confident105 Ų10594.8 Ų94.849%0.49149%0.487SS..Hα-helixtrans-66.3-41.9173.5-71170.8163.400111.1V157 M158 N163 N164 L165V157-E161 HydrophobicContact CG1-CG 4.37Å; V157-E161 WeakPolarHBondContact O-CG 3.22Å; V157-E161 PolarHBondContact O-N 2.92Å; M158-E161 PolarHBondContact O-N 2.83Å; E161-N163 VanDerWaalsContact C-N 3.34Å; E161-N163 PolarHBondContact O-N 2.78Å; E161-N164 PolarHBondContact O-N 3.26Å; E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.43Å
162R85.9Confident83Confident112 Ų11295.3 Ų95.342%0.42349%0.487SS..Hα-helixtrans-59.8-43.3172.9-167.5-164.562.457.25111.5M158 E159 Q166M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.48Å; M158-R162 PolarHBondContact O-N 3.16Å; E159-R162 PolarHBondContact O-N 3.5Å; E159-R162 IonicContact OE1-CZ 3.76Å; E159-R162 IonicContact OE1-NE 2.83Å; E159-R162 PolarHBondContact OE1-NE 3.16Å; E159-R162 IonicContact OE1-NH2 3.79Å; E159-R162 PolarHBondContact OE1-NH2 3.03Å; R162-Q166 VanDerWaalsContact O-CB 3.25Å; R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 PolarHBondContact O-N 3.3Å
163N83.3Confident82.5Confident71 Ų7198.1 Ų98.138%0.3850%0.497SS..Hα-helixtrans-68.3-41.3175.8-72.1-36.6000112E159 S160 E161 Q166 Q167E159-N163 WeakPolarHBondContact O-CB 3.28Å; E159-N163 PolarHBondContact O-N 3.35Å; E159-N163 PolarHBondContact O-ND2 2.84Å; S160-N163 PolarHBondContact O-N 3.18Å; E161-N163 VanDerWaalsContact C-N 3.34Å; E161-N163 PolarHBondContact O-N 2.78Å; N163-Q166 PolarHBondContact O-N 2.89Å; N163-Q167 WeakPolarHBondContact O-CB 3.23Å; N163-Q167 PolarHBondContact O-N 3.22Å
164N85Confident82.3Confident98 Ų9896.2 Ų96.252%0.52450%0.497SS..Hα-helixtrans-62.3-44.1175.6-69.7-15.5000111.2S160 E161 Q167 L168S160-N164 WeakPolarHBondContact O-CB 3.37Å; S160-N164 PolarHBondContact O-N 3.27Å; S160-N164 PolarHBondContact O-ND2 2.98Å; S160-N164 PolarHBondContact O-OD1 2.96Å; E161-N164 PolarHBondContact O-N 3.26Å; N164-Q167 PolarHBondContact O-N 2.9Å; N164-L168 VanDerWaalsContact O-CB 3.3Å; N164-L168 WeakPolarHBondContact O-CB 3.19Å; N164-L168 PolarHBondContact O-N 3.07Å
165L82Confident82.1Confident115 Ų115100.3 Ų100.360%0.60251%0.505SS*.Hα-helixtrans-66.5-38.4175-73.1170.3000112E161 Q167 L168 L169E161-L165 WeakPolarHBondContact O-CB 3.45Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.42Å; E161-L165 PolarHBondContact O-N 3.43Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; L165-L168 HydrophobicContact CD2-CD2 4.46Å; L165-L168 PolarHBondContact O-N 3.04Å; L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.49Å
166Q82.1Confident81.7Confident113 Ų11395.9 Ų95.953%0.52849%0.493SS..Hα-helixtrans-66.5-36.7174.7-171.2172.2900111.7R162 N163 A170R162-Q166 VanDerWaalsContact O-CB 3.25Å; R162-Q166 WeakPolarHBondContact O-CB 3.47Å; R162-Q166 PolarHBondContact O-N 3.3Å; N163-Q166 PolarHBondContact O-N 2.89Å; Q166-A170 WeakPolarHBondContact O-CB 3.38Å; Q166-A170 PolarHBondContact O-N 3.22Å
167Q83.1Confident81.2Confident139 Ų13991.2 Ų91.265%0.6548%0.479SS*.Hα-helixtrans-72.3-36.4174.1-168.7173.512.500112N163 N164 L165 S171N163-Q167 WeakPolarHBondContact O-CB 3.23Å; N163-Q167 PolarHBondContact O-N 3.22Å; N164-Q167 PolarHBondContact O-N 2.9Å; L165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-S171 VanDerWaalsContact O-CB 3.23Å; Q167-S171 WeakPolarHBondContact O-CB 3.09Å; Q167-S171 PolarHBondContact O-N 2.81Å
168L80.6Confident81.1Confident117 Ų11790.3 Ų90.361%0.61347%0.47SS*.Hα-helixtrans-65.1-43.8172.7-17074.2000111N164 L165 S171 H172N164-L168 VanDerWaalsContact O-CB 3.3Å; N164-L168 WeakPolarHBondContact O-CB 3.19Å; N164-L168 PolarHBondContact O-N 3.07Å; L165-L168 HydrophobicContact CD2-CD2 4.46Å; L165-L168 PolarHBondContact O-N 3.04Å; L168-S171 WeakPolarHBondContact O-CB 3.26Å; L168-S171 PolarHBondContact O-N 2.85Å; L168-H172 WeakPolarHBondContact O-CB 3.3Å; L168-H172 PolarHBondContact O-N 2.62Å
169L78.3Confident80.6Confident103 Ų10388.1 Ų88.154%0.53946%0.464SS..Hα-helixtrans-65.1-43.8176.5-174.567.7000111.5L165 S171 H172 Q173L165-L169 VanDerWaalsContact O-CB 3.28Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 PolarHBondContact O-N 3.49Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 2.79Å; L169-H172 PolarHBondContact O-N 2.94Å; L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 WeakPolarHBondContact O-CG 3.45Å; L169-Q173 PolarHBondContact O-N 3.27Å
170A80Confident80.1Confident53 Ų5386.5 Ų86.544%0.43846%0.46SS..Hα-helixtrans-63.3-39174.200000112Q166 A174Q166-A170 WeakPolarHBondContact O-CB 3.38Å; Q166-A170 PolarHBondContact O-N 3.22Å; A170-A174 VanDerWaalsContact O-CB 3.25Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.45Å
171S78.4Confident79.9Confident59 Ų5987.3 Ų87.341%0.41346%0.46SS..Hα-helixtrans-64.2-41.3173-175.80000111.8Q167 L168 L169 A174 K175Q167-S171 VanDerWaalsContact O-CB 3.23Å; Q167-S171 WeakPolarHBondContact O-CB 3.09Å; Q167-S171 PolarHBondContact O-N 2.81Å; L168-S171 WeakPolarHBondContact O-CB 3.26Å; L168-S171 PolarHBondContact O-N 2.85Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 2.79Å; S171-A174 PolarHBondContact O-N 2.9Å; S171-K175 WeakPolarHBondContact O-CB 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.39Å; S171-K175 PolarHBondContact O-N 3.19Å
172H83.5Confident79.6Confident111 Ų11185.2 Ų85.251%0.51445%0.45SS..Hα-helixtrans-67.7-46.6176.4-165.5-79.8000112L168 L169 A174 K175 T176L168-H172 WeakPolarHBondContact O-CB 3.3Å; L168-H172 PolarHBondContact O-N 2.62Å; L169-H172 PolarHBondContact O-N 2.94Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.46Å; H172-K175 PolarHBondContact O-N 2.72Å; H172-T176 PolarHBondContact CE1-OG1 3.26Å; H172-T176 PolarHBondContact ND1-OG1 3.26Å; H172-T176 WeakPolarHBondContact O-CB 3.45Å; H172-T176 PolarHBondContact O-N 2.87Å; H172-T176 PolarHBondContact O-OG1 3.46Å
173Q78.2Confident79Confident109 Ų10985.5 Ų85.551%0.50946%0.458SS..Hα-helixtrans-59.3-42.9174.5-75.9180-33.200111.3L169 T176 S177L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 WeakPolarHBondContact O-CG 3.45Å; L169-Q173 PolarHBondContact O-N 3.27Å; Q173-T176 PolarHBondContact O-N 2.92Å; Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.28Å
174A81.7Confident78.8Confident53 Ų5389.8 Ų89.844%0.43847%0.47SS..Hα-helixtrans-60.7-46.3173.600000111.7A170 S171 H172 S177 K178A170-A174 VanDerWaalsContact O-CB 3.25Å; A170-A174 WeakPolarHBondContact O-CB 3.42Å; A170-A174 PolarHBondContact O-N 3.45Å; S171-A174 PolarHBondContact O-N 2.9Å; H172-A174 VanDerWaalsContact C-N 3.32Å; H172-A174 PolarHBondContact O-N 3.46Å; A174-S177 CarbonylContact O-C 3.57Å; A174-S177 PolarHBondContact O-N 2.96Å; A174-K178 VanDerWaalsContact O-CG 3.22Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 3.25Å
175K81.3Confident78.7Confident137 Ų13789.2 Ų89.260%0.59646%0.463SS*.Hα-helixtrans-62.9-42.4175.7-77-179.1178.1-169.30113.4S171 H172 S177 K178 S179S171-K175 WeakPolarHBondContact O-CB 3.28Å; S171-K175 WeakPolarHBondContact O-CG 3.39Å; S171-K175 PolarHBondContact O-N 3.19Å; H172-K175 PolarHBondContact O-N 2.72Å; K175-S177 VanDerWaalsContact C-N 3.32Å; K175-K178 WeakPolarHBondContact O-CB 3.3Å; K175-K178 PolarHBondContact O-N 3.18Å; K175-K178 VanDerWaalsContact O-N 3.13Å; K175-S179 PolarHBondContact O-N 2.81Å
176T77.5Confident78.3Confident52 Ų5289.9 Ų89.932%0.31946%0.461SS..Hα-helixtrans-65.2-41.3177.7-43.50000109.6H172 Q173 S179 V180H172-T176 PolarHBondContact CE1-OG1 3.26Å; H172-T176 PolarHBondContact ND1-OG1 3.26Å; H172-T176 WeakPolarHBondContact O-CB 3.45Å; H172-T176 PolarHBondContact O-N 2.87Å; H172-T176 PolarHBondContact O-OG1 3.46Å; Q173-T176 PolarHBondContact O-N 2.92Å; T176-S179 PolarHBondContact O-N 3.22Å; T176-V180 WeakPolarHBondContact O-CB 3.48Å; T176-V180 VanDerWaalsContact O-CG2 3.32Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 2.62Å
177S76.8Confident78.1Confident51 Ų5189 Ų8936%0.35746%0.459SS..Hα-helixtrans-65.3-34.1170.7172.10000112.9Q173 A174 K175 D181 R1537Q173-S177 WeakPolarHBondContact O-CB 3.45Å; Q173-S177 PolarHBondContact O-N 3.28Å; A174-S177 CarbonylContact O-C 3.57Å; A174-S177 PolarHBondContact O-N 2.96Å; K175-S177 VanDerWaalsContact C-N 3.32Å; S177-D181 VanDerWaalsContact O-CB 3.28Å; S177-D181 WeakPolarHBondContact O-CB 3.44Å; S177-D181 PolarHBondContact O-N 2.9Å; S177-D181 VanDerWaalsContact O-OD2 3.08Å; S177-D181 PolarHBondContact OG-OD2 3.42Å; S177-R1537 VanDerWaalsContact C-NH1 3.3Å; S177-R1537 PolarHBondContact O-NH1 2.76Å; S177-R1537 PolarHBondContact OG-NH1 2.83Å
178K79.6Confident77.9Confident55 Ų5586.6 Ų86.624%0.23945%0.448CS..Hα-helixtrans-57.9-55.4169.4-59-155.8172.9-173.40110.5A174 K175 V180 D181 E182 R1537 E1540A174-K178 VanDerWaalsContact O-CG 3.22Å; A174-K178 WeakPolarHBondContact O-CG 3.47Å; A174-K178 PolarHBondContact O-N 3.25Å; K175-K178 WeakPolarHBondContact O-CB 3.3Å; K175-K178 PolarHBondContact O-N 3.18Å; K175-K178 VanDerWaalsContact O-N 3.13Å; K178-V180 VanDerWaalsContact C-N 3.35Å; K178-V180 PolarHBondContact O-N 2.7Å; K178-D181 PolarHBondContact O-N 3.4Å; K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 VanDerWaalsContact O-CD 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 3.14Å; K178-R1537 HydrophobicContact CD-CB 3.94Å; K178-R1537 HydrophobicContact CD-CG 3.82Å; K178-R1537 HydrophobicContact CG-CB 4.48Å; K178-R1537 HydrophobicContact CG-CG 4.08Å; K178-R1537 VanDerWaalsContact N-NH1 3.17Å; K178-E1540 IonicContact NZ-OE2 2.6Å; K178-E1540 PolarHBondContact NZ-OE2 2.87Å
179S71.8Confident77.9Confident57 Ų5785.3 Ų85.340%0.39944%0.441SS..Hα-helixtrans-60.5-39.6-179.2177.40000113K175 T176 E182 M183K175-S179 PolarHBondContact O-N 2.81Å; T176-S179 PolarHBondContact O-N 3.22Å; S179-E182 PolarHBondContact O-N 3.5Å; S179-M183 WeakPolarHBondContact O-CB 3.5Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; S179-M183 PolarHBondContact O-N 3.12Å
180V70.7Confident77.7Confident53 Ų5384.2 Ų84.232%0.32144%0.436SS..Hα-helixtrans-69.2-43176169.90000111.9T176 K178 E182 M183 Y184T176-V180 WeakPolarHBondContact O-CB 3.48Å; T176-V180 VanDerWaalsContact O-CG2 3.32Å; T176-V180 WeakPolarHBondContact O-CG2 3.49Å; T176-V180 PolarHBondContact O-N 2.62Å; K178-V180 VanDerWaalsContact C-N 3.35Å; K178-V180 PolarHBondContact O-N 2.7Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 3.33Å; V180-M183 HydrophobicContact CG2-CE 4.17Å; V180-M183 PolarHBondContact O-N 2.79Å; V180-Y184 HydrophobicContact CG1-CD2 3.7Å; V180-Y184 HydrophobicContact CG1-CE2 3.53Å; V180-Y184 VanDerWaalsContact O-CD2 3.24Å; V180-Y184 WeakPolarHBondContact O-CD2 3.4Å; V180-Y184 PolarHBondContact O-N 3.23Å
181D77.2Confident77.7Confident71 Ų7186.5 Ų86.538%0.3844%0.436SS..Hα-helixtrans-62.4-39.5174.6-65.6-22.7000110.9S177 K178 K185 R1537S177-D181 VanDerWaalsContact O-CB 3.28Å; S177-D181 WeakPolarHBondContact O-CB 3.44Å; S177-D181 PolarHBondContact O-N 2.9Å; S177-D181 VanDerWaalsContact O-OD2 3.08Å; S177-D181 PolarHBondContact OG-OD2 3.42Å; K178-D181 PolarHBondContact O-N 3.4Å; D181-K185 VanDerWaalsContact O-CB 3.26Å; D181-K185 WeakPolarHBondContact O-CB 3.31Å; D181-K185 PolarHBondContact O-N 2.75Å; D181-R1537 IonicContact OD2-CZ 3.75Å; D181-R1537 IonicContact OD2-NH1 2.72Å; D181-R1537 PolarHBondContact OD2-NH1 2.95Å; D181-R1537 IonicContact OD2-NH2 3.65Å; D181-R1537 PolarHBondContact OD2-NH2 2.79Å
182E74.6Confident77.8Confident60 Ų6089 Ų8928%0.2844%0.441SS..Hα-helixtrans-65.9-41.5175-73.3157.1-154.400112K178 S179 V180 K185 K186K178-E182 WeakPolarHBondContact O-CB 3.39Å; K178-E182 VanDerWaalsContact O-CD 3.3Å; K178-E182 WeakPolarHBondContact O-CG 3.4Å; K178-E182 PolarHBondContact O-N 3.14Å; S179-E182 PolarHBondContact O-N 3.5Å; V180-E182 VanDerWaalsContact C-N 3.3Å; V180-E182 PolarHBondContact O-N 3.33Å; E182-K185 PolarHBondContact O-N 3.45Å; E182-K186 WeakPolarHBondContact O-CB 3.41Å; E182-K186 PolarHBondContact O-N 3.49Å
183M73.7Confident77.7Confident118 Ų11887.7 Ų87.758%0.58144%0.441SS*.Hα-helixtrans-66.6-43.3174.9-77.6-165.6-59.500112.7S179 V180 K185 K186 L187S179-M183 WeakPolarHBondContact O-CB 3.5Å; S179-M183 WeakPolarHBondContact O-CG 3.38Å; S179-M183 PolarHBondContact O-N 3.12Å; V180-M183 HydrophobicContact CG2-CE 4.17Å; V180-M183 PolarHBondContact O-N 2.79Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.99Å; M183-K186 PolarHBondContact O-N 2.87Å; M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 PolarHBondContact O-N 2.74Å
184Y79.9Confident77.8Confident162 Ų16288.5 Ų88.564%0.63544%0.443SS*.Hα-helixtrans-62-40.1174.1-82.6-63000111.7V180 L187 E188V180-Y184 HydrophobicContact CG1-CD2 3.7Å; V180-Y184 HydrophobicContact CG1-CE2 3.53Å; V180-Y184 VanDerWaalsContact O-CD2 3.24Å; V180-Y184 WeakPolarHBondContact O-CD2 3.4Å; V180-Y184 PolarHBondContact O-N 3.23Å; Y184-L187 PolarHBondContact O-N 2.77Å; Y184-E188 WeakPolarHBondContact O-CB 3.41Å; Y184-E188 PolarHBondContact O-N 3.37Å
185K81.8Confident77.8Confident86 Ų8690.2 Ų90.237%0.37445%0.445SS..Hα-helixtrans-67.4-36176.3-175.2174.1173.3-105.40112.5D181 E182 M183 L189 D1538D181-K185 VanDerWaalsContact O-CB 3.26Å; D181-K185 WeakPolarHBondContact O-CB 3.31Å; D181-K185 PolarHBondContact O-N 2.75Å; E182-K185 PolarHBondContact O-N 3.45Å; M183-K185 VanDerWaalsContact C-N 3.3Å; M183-K185 PolarHBondContact O-N 2.99Å; K185-L189 PolarHBondContact O-N 3.47Å; K185-L189 VanDerWaalsContact O-N 3.11Å; K185-D1538 IonicContact NZ-OD2 2.72Å; K185-D1538 PolarHBondContact NZ-OD2 2.86Å
186K74.2Confident77.7Confident129 Ų12988.9 Ų88.956%0.56144%0.441SS*.Hα-helixtrans-68-47172.3-170.5-178.6174.5-175.10111.2E182 M183 E188 L189 D190E182-K186 WeakPolarHBondContact O-CB 3.41Å; E182-K186 PolarHBondContact O-N 3.49Å; M183-K186 PolarHBondContact O-N 2.87Å; K186-E188 PolarHBondContact O-N 3.39Å; K186-L189 CarbonylContact O-C 3.51Å; K186-L189 WeakPolarHBondContact O-CB 3.34Å; K186-L189 PolarHBondContact O-N 2.86Å; K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 WeakPolarHBondContact O-CB 3.48Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.44Å
187L76.6Confident77.7Confident93 Ų9391 Ų9149%0.48745%0.45SS..Hα-helixtrans-57.1-36176.6-17864.5000112.2M183 Y184 K191M183-L187 WeakPolarHBondContact O-CB 3.4Å; M183-L187 PolarHBondContact O-N 2.74Å; Y184-L187 PolarHBondContact O-N 2.77Å; L187-K191 VanDerWaalsContact O-CG 3.31Å; L187-K191 WeakPolarHBondContact O-CG 3.41Å; L187-K191 PolarHBondContact O-N 2.68Å
188E79.2Confident77.8Confident90 Ų9091.8 Ų91.842%0.42145%0.448SS..Hα-helixtrans-73.7-35.1175.9-162.466.5-175.100112.9Y184 K186 K191 Q192Y184-E188 WeakPolarHBondContact O-CB 3.41Å; Y184-E188 PolarHBondContact O-N 3.37Å; K186-E188 PolarHBondContact O-N 3.39Å; E188-K191 IonicContact OE2-NZ 2.69Å; E188-K191 PolarHBondContact OE2-NZ 2.75Å; E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 3.43Å
189L81.9Confident78Confident89 Ų8995.2 Ų95.247%0.46646%0.459SS..Hα-helixtrans-68.3-40.9171-80.6163.8000112.2K185 K186 K191 Q192 T193K185-L189 PolarHBondContact O-N 3.47Å; K185-L189 VanDerWaalsContact O-N 3.11Å; K186-L189 CarbonylContact O-C 3.51Å; K186-L189 WeakPolarHBondContact O-CB 3.34Å; K186-L189 PolarHBondContact O-N 2.86Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.81Å; L189-Q192 PolarHBondContact O-N 3.33Å; L189-T193 WeakPolarHBondContact O-CB 3.14Å; L189-T193 PolarHBondContact O-N 3.16Å; L189-T193 PolarHBondContact O-OG1 2.8Å
190D73.1Confident78.3Confident81 Ų8196.9 Ų96.943%0.43346%0.463SS..Hα-helixtrans-65-38.2177.4-66.1-17.8000110.2K186 K194K186-D190 WeakPolarHBondContact CE-OD2 3.43Å; K186-D190 WeakPolarHBondContact O-CB 3.48Å; K186-D190 VanDerWaalsContact O-CG 3.27Å; K186-D190 PolarHBondContact O-N 3.44Å; D190-K194 WeakPolarHBondContact O-CB 3.37Å; D190-K194 PolarHBondContact O-N 3.45Å
191K79.9Confident78.5Confident100 Ų100100.3 Ų100.344%0.43548%0.475SS..Hα-helixtrans-62.4-50.3168.7-75.9177.6-157.6159.70112.8L187 E188 L189 T193 K194 D195L187-K191 VanDerWaalsContact O-CG 3.31Å; L187-K191 WeakPolarHBondContact O-CG 3.41Å; L187-K191 PolarHBondContact O-N 2.68Å; E188-K191 IonicContact OE2-NZ 2.69Å; E188-K191 PolarHBondContact OE2-NZ 2.75Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-K191 PolarHBondContact O-N 2.81Å; K191-T193 VanDerWaalsContact C-N 3.25Å; K191-T193 PolarHBondContact O-N 3.49Å; K191-K194 CarbonylContact O-C 3.36Å; K191-K194 WeakPolarHBondContact O-CB 3.43Å; K191-K194 PolarHBondContact O-N 2.68Å; K191-K194 VanDerWaalsContact O-N 3.11Å; K191-D195 PolarHBondContact O-N 3.48Å
192Q81.6Confident78.9Confident111 Ų111104.7 Ų104.752%0.51949%0.486SS..Hα-helixtrans-60.8-38.9-180-75176.411.900111.3E188 L189 D195 E196E188-Q192 WeakPolarHBondContact O-CG 3.27Å; E188-Q192 PolarHBondContact O-N 3.43Å; L189-Q192 PolarHBondContact O-N 3.33Å; Q192-D195 PolarHBondContact O-N 2.63Å; Q192-E196 WeakPolarHBondContact O-CB 3.44Å; Q192-E196 PolarHBondContact O-N 2.78Å
193T79.7Confident79.3Confident85 Ų85109.3 Ų109.352%0.52150%0.501SS..Hα-helixtrans-64.3-42.9174-52.40000111.1L189 K191 E196 L197L189-T193 WeakPolarHBondContact O-CB 3.14Å; L189-T193 PolarHBondContact O-N 3.16Å; L189-T193 PolarHBondContact O-OG1 2.8Å; K191-T193 VanDerWaalsContact C-N 3.25Å; K191-T193 PolarHBondContact O-N 3.49Å; T193-E196 PolarHBondContact O-N 3.25Å; T193-L197 WeakPolarHBondContact O-CB 3.38Å; T193-L197 PolarHBondContact O-N 2.76Å
194K80.6Confident79.7Confident126 Ų126108 Ų10855%0.54850%0.495SS..Hα-helixtrans-62.6-46.8173.7-175.5-173.3171.5-168.60112.1D190 K191 E196 L197 E198D190-K194 WeakPolarHBondContact O-CB 3.37Å; D190-K194 PolarHBondContact O-N 3.45Å; K191-K194 CarbonylContact O-C 3.36Å; K191-K194 WeakPolarHBondContact O-CB 3.43Å; K191-K194 PolarHBondContact O-N 2.68Å; K191-K194 VanDerWaalsContact O-N 3.11Å; K194-E196 PolarHBondContact O-N 2.77Å; K194-L197 PolarHBondContact O-N 2.93Å; K194-E198 WeakPolarHBondContact CE-OE1 3.2Å; K194-E198 IonicContact NZ-OE1 3.87Å; K194-E198 PolarHBondContact O-N 3.31Å
195D82.7Confident79.5Confident88 Ų88105.5 Ų105.547%0.47149%0.493SS..Hα-helixtrans-63.1-31.6179-75.6-5.2000111.9K191 Q192 R199K191-D195 PolarHBondContact O-N 3.48Å; Q192-D195 PolarHBondContact O-N 2.63Å; D195-R199 VanDerWaalsContact O-CB 3.26Å; D195-R199 WeakPolarHBondContact O-CB 3.17Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 PolarHBondContact O-NH2 2.81Å; D195-R199 VanDerWaalsContact O-NH2 3.07Å
196E79.1Confident79.5Confident109 Ų109104.6 Ų104.651%0.50950%0.497SS..Hα-helixtrans-74-43.4172.6-164.5119.8-100.600111.3Q192 T193 K194 E198 R199 D200Q192-E196 WeakPolarHBondContact O-CB 3.44Å; Q192-E196 PolarHBondContact O-N 2.78Å; T193-E196 PolarHBondContact O-N 3.25Å; K194-E196 PolarHBondContact O-N 2.77Å; E196-E198 PolarHBondContact O-N 2.84Å; E196-R199 WeakPolarHBondContact O-CB 3.45Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 VanDerWaalsContact O-N 3.09Å; E196-R199 IonicContact OE1-NH1 3.19Å; E196-R199 PolarHBondContact OE1-NH1 3.15Å; E196-D200 PolarHBondContact O-N 3.49Å
197L76.8Confident79.8Confident97 Ų97102.7 Ų102.751%0.50849%0.49SS..Hα-helixtrans-63.5-40.7175.6-144.980000112.2T193 K194 R199 D200 F201T193-L197 WeakPolarHBondContact O-CB 3.38Å; T193-L197 PolarHBondContact O-N 2.76Å; K194-L197 PolarHBondContact O-N 2.93Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 3.47Å; L197-D200 PolarHBondContact O-N 3.26Å; L197-F201 HydrophobicContact CD2-CE2 3.79Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 4.3Å; L197-F201 HydrophobicContact CG-CE2 3.92Å; L197-F201 WeakPolarHBondContact O-CB 3.18Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 WeakPolarHBondContact O-CG 3.31Å; L197-F201 PolarHBondContact O-N 2.83Å
198E78.8Confident80.1Confident68 Ų68103.7 Ų103.732%0.31849%0.49SS..Hα-helixtrans-63.9-34.7172-83.4-160.7-144.100112.1K194 E196 R202K194-E198 WeakPolarHBondContact CE-OE1 3.2Å; K194-E198 IonicContact NZ-OE1 3.87Å; K194-E198 PolarHBondContact O-N 3.31Å; E196-E198 PolarHBondContact O-N 2.84Å; E198-R202 WeakPolarHBondContact O-CB 3.13Å; E198-R202 WeakPolarHBondContact O-CG 3.17Å; E198-R202 PolarHBondContact O-N 2.8Å; E198-R202 IonicContact OE2-CZ 2.93Å; E198-R202 IonicContact OE2-NE 2.7Å; E198-R202 IonicContact OE2-NH2 2.69Å; E198-R202 PolarHBondContact OE2-NH2 3.41Å
199R84.6Confident80.2Confident127 Ų127104.6 Ų104.648%0.47950%0.495SS..Hα-helixtrans-71.1-41.5177.9-168.5-177.6-51.512015.8111.3D195 E196 L197 R202 R203D195-R199 VanDerWaalsContact O-CB 3.26Å; D195-R199 WeakPolarHBondContact O-CB 3.17Å; D195-R199 PolarHBondContact O-N 3.37Å; D195-R199 PolarHBondContact O-NH2 2.81Å; D195-R199 VanDerWaalsContact O-NH2 3.07Å; E196-R199 WeakPolarHBondContact O-CB 3.45Å; E196-R199 PolarHBondContact O-N 2.84Å; E196-R199 VanDerWaalsContact O-N 3.09Å; E196-R199 IonicContact OE1-NH1 3.19Å; E196-R199 PolarHBondContact OE1-NH1 3.15Å; L197-R199 VanDerWaalsContact C-N 3.3Å; L197-R199 PolarHBondContact O-N 3.47Å; R199-R202 PolarHBondContact O-N 3.19Å; R199-R203 WeakPolarHBondContact O-CB 3.5Å; R199-R203 PolarHBondContact O-N 2.87Å
200D77.8Confident80.2Confident91 Ų91105.7 Ų105.749%0.48750%0.498SS..Hα-helixtrans-68.9-38.7173.5-83.8-8.4000112E196 L197 R203 L204E196-D200 PolarHBondContact O-N 3.49Å; L197-D200 PolarHBondContact O-N 3.26Å; D200-R203 PolarHBondContact O-N 3.02Å; D200-L204 VanDerWaalsContact O-CB 3.23Å; D200-L204 WeakPolarHBondContact O-CB 3.25Å; D200-L204 PolarHBondContact O-N 2.68Å
201F74.5Confident80.6Confident126 Ų126106 Ų10655%0.55350%0.498SS*.Hα-helixtrans-64.2-42.2170.9-77.1-49000112.1L197 R203 L204 L205L197-F201 HydrophobicContact CD2-CE2 3.79Å; L197-F201 HydrophobicContact CD2-CZ 4.46Å; L197-F201 HydrophobicContact CG-CD2 4.3Å; L197-F201 HydrophobicContact CG-CE2 3.92Å; L197-F201 WeakPolarHBondContact O-CB 3.18Å; L197-F201 WeakPolarHBondContact O-CD2 3.34Å; L197-F201 WeakPolarHBondContact O-CG 3.31Å; L197-F201 PolarHBondContact O-N 2.83Å; F201-R203 VanDerWaalsContact C-N 3.35Å; F201-R203 PolarHBondContact O-N 3.46Å; F201-L204 PolarHBondContact O-N 3.43Å; F201-L205 VanDerWaalsContact O-CB 3.26Å; F201-L205 WeakPolarHBondContact O-CB 3.23Å; F201-L205 VanDerWaalsContact O-CG 3.22Å; F201-L205 WeakPolarHBondContact O-CG 3.44Å; F201-L205 PolarHBondContact O-N 3.31Å
202R85.5Confident80.5Confident163 Ų163105 Ų10562%0.61550%0.497SS*.Hα-helixtrans-63.8-38.8174.2-73.9168.9-162.3-89.70.4111.9E198 R199 S206E198-R202 WeakPolarHBondContact O-CB 3.13Å; E198-R202 WeakPolarHBondContact O-CG 3.17Å; E198-R202 PolarHBondContact O-N 2.8Å; E198-R202 IonicContact OE2-CZ 2.93Å; E198-R202 IonicContact OE2-NE 2.7Å; E198-R202 IonicContact OE2-NH2 2.69Å; E198-R202 PolarHBondContact OE2-NH2 3.41Å; R199-R202 PolarHBondContact O-N 3.19Å; R202-S206 WeakPolarHBondContact O-CB 3.35Å; R202-S206 PolarHBondContact O-N 3.47Å; R202-S206 PolarHBondContact O-OG 3.43Å
203R83.6Confident80.6Confident157 Ų157104 Ų10459%0.59249%0.491SS*.Hα-helixtrans-64.4-49.7174178.6-179.7171.1174.7-1.9111.1R199 D200 F201 L205 S206 E207R199-R203 WeakPolarHBondContact O-CB 3.5Å; R199-R203 PolarHBondContact O-N 2.87Å; D200-R203 PolarHBondContact O-N 3.02Å; F201-R203 VanDerWaalsContact C-N 3.35Å; F201-R203 PolarHBondContact O-N 3.46Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.75Å; R203-S206 CarbonylContact O-C 3.57Å; R203-S206 WeakPolarHBondContact O-CA 3.08Å; R203-S206 VanDerWaalsContact O-CB 3.32Å; R203-S206 WeakPolarHBondContact O-CB 3.44Å; R203-S206 PolarHBondContact O-N 2.92Å; R203-E207 IonicContact CZ-OE1 3.05Å; R203-E207 IonicContact NE-OE1 2.67Å; R203-E207 PolarHBondContact NE-OE1 3.06Å; R203-E207 IonicContact NH2-OE1 2.63Å; R203-E207 PolarHBondContact NH2-OE1 3.35Å; R203-E207 VanDerWaalsContact NH2-OE1 3.1Å; R203-E207 WeakPolarHBondContact O-CG 3.26Å; R203-E207 PolarHBondContact O-N 3.31Å
204L81.2Confident80.6Confident89 Ų89103.4 Ų103.447%0.46649%0.49SS..Hα-helixtrans-66.6-37-179-167.6148.2000111.1D200 F201 S206 E207 K208D200-L204 VanDerWaalsContact O-CB 3.23Å; D200-L204 WeakPolarHBondContact O-CB 3.25Å; D200-L204 PolarHBondContact O-N 2.68Å; F201-L204 PolarHBondContact O-N 3.43Å; L204-S206 VanDerWaalsContact C-N 3.35Å; L204-E207 PolarHBondContact O-N 3.4Å; L204-K208 HydrophobicContact CD2-CG 3.94Å; L204-K208 WeakPolarHBondContact O-CB 3.47Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.25Å
205L77Confident80.4Confident111 Ų111101.8 Ų101.858%0.58149%0.487SS*.Hα-helixtrans-61.2-41.5168.7-76168.9000111.7F201 R203 K208 E209F201-L205 VanDerWaalsContact O-CB 3.26Å; F201-L205 WeakPolarHBondContact O-CB 3.23Å; F201-L205 VanDerWaalsContact O-CG 3.22Å; F201-L205 WeakPolarHBondContact O-CG 3.44Å; F201-L205 PolarHBondContact O-N 3.31Å; R203-L205 VanDerWaalsContact C-N 3.35Å; R203-L205 PolarHBondContact O-N 2.75Å; L205-K208 CarbonylContact O-C 3.52Å; L205-K208 PolarHBondContact O-N 3.37Å; L205-E209 WeakPolarHBondContact O-CB 3.25Å; L205-E209 PolarHBondContact O-N 3.45Å
206S81.5Confident80.1Confident67 Ų67105.6 Ų105.647%0.46950%0.495SS..Hα-helixtrans-64.3-42.4175.5-55.60000112R202 R203 L204 E209 E210R202-S206 WeakPolarHBondContact O-CB 3.35Å; R202-S206 PolarHBondContact O-N 3.47Å; R202-S206 PolarHBondContact O-OG 3.43Å; R203-S206 CarbonylContact O-C 3.57Å; R203-S206 WeakPolarHBondContact O-CA 3.08Å; R203-S206 VanDerWaalsContact O-CB 3.32Å; R203-S206 WeakPolarHBondContact O-CB 3.44Å; R203-S206 PolarHBondContact O-N 2.92Å; L204-S206 VanDerWaalsContact C-N 3.35Å; S206-E209 WeakPolarHBondContact O-CB 3.25Å; S206-E209 PolarHBondContact O-N 3.06Å; S206-E210 PolarHBondContact O-N 2.82Å
207E81.1Confident80.2Confident89 Ų89106.3 Ų106.342%0.41650%0.501SS..Hα-helixtrans-66.7-37.9175.2-70.4173.6-172.400111.4R203 L204 E210 I211R203-E207 IonicContact CZ-OE1 3.05Å; R203-E207 IonicContact NE-OE1 2.67Å; R203-E207 PolarHBondContact NE-OE1 3.06Å; R203-E207 IonicContact NH2-OE1 2.63Å; R203-E207 PolarHBondContact NH2-OE1 3.35Å; R203-E207 VanDerWaalsContact NH2-OE1 3.1Å; R203-E207 WeakPolarHBondContact O-CG 3.26Å; R203-E207 PolarHBondContact O-N 3.31Å; L204-E207 PolarHBondContact O-N 3.4Å; E207-E210 PolarHBondContact O-N 3.38Å; E207-I211 WeakPolarHBondContact O-CB 3.19Å; E207-I211 WeakPolarHBondContact O-CD1 3.33Å; E207-I211 VanDerWaalsContact O-CG1 3.24Å; E207-I211 WeakPolarHBondContact O-CG1 3.48Å; E207-I211 PolarHBondContact O-N 3.44Å
208K81.2Confident80Confident113 Ų113107.5 Ų107.549%0.49150%0.504SS..Hα-helixtrans-66.7-37.3170.9-68-63.1178.2-171.70112L204 L205 I211 I212L204-K208 HydrophobicContact CD2-CG 3.94Å; L204-K208 WeakPolarHBondContact O-CB 3.47Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.25Å; L205-K208 CarbonylContact O-C 3.52Å; L205-K208 PolarHBondContact O-N 3.37Å; K208-I211 PolarHBondContact O-N 2.94Å; K208-I212 VanDerWaalsContact O-CB 3.32Å; K208-I212 WeakPolarHBondContact O-CB 3.48Å; K208-I212 WeakPolarHBondContact O-CD1 3.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.4Å; K208-I212 PolarHBondContact O-N 2.96Å
209E81.3Confident79.4Confident109 Ų109106.3 Ų106.351%0.50950%0.503SS..Hα-helixtrans-64.1-43.3173.6-87-165.6-167.300112.2L205 S206 I212 K213L205-E209 WeakPolarHBondContact O-CB 3.25Å; L205-E209 PolarHBondContact O-N 3.45Å; S206-E209 WeakPolarHBondContact O-CB 3.25Å; S206-E209 PolarHBondContact O-N 3.06Å; E209-I212 CarbonylContact O-C 3.57Å; E209-I212 PolarHBondContact O-N 3.34Å; E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 VanDerWaalsContact O-CG 3.24Å; E209-K213 WeakPolarHBondContact O-CG 3.2Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 IonicContact OE2-NZ 2.89Å; E209-K213 PolarHBondContact OE2-NZ 3.21Å
210E82.6Confident78.8Confident113 Ų113104.5 Ų104.553%0.52850%0.503SS..Hα-helixtrans-67.8-36.5175.3-69.6-53.5132.400111.9S206 E207 I212 K213 S214S206-E210 PolarHBondContact O-N 2.82Å; E207-E210 PolarHBondContact O-N 3.38Å; E210-I212 VanDerWaalsContact C-N 3.35Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.24Å; E210-K213 WeakPolarHBondContact OE1-CD 3.43Å; E210-K213 WeakPolarHBondContact OE1-CE 3.39Å; E210-K213 IonicContact OE1-NZ 3.41Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; E210-S214 VanDerWaalsContact O-CB 3.24Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 2.88Å
211I81.7Confident78.5Confident86 Ų86104 Ų10444%0.44150%0.498SS..Hα-helixtrans-63.2-40.9169.6-70.4164.8000110.8E207 K208 S214 L215E207-I211 WeakPolarHBondContact O-CB 3.19Å; E207-I211 WeakPolarHBondContact O-CD1 3.33Å; E207-I211 VanDerWaalsContact O-CG1 3.24Å; E207-I211 WeakPolarHBondContact O-CG1 3.48Å; E207-I211 PolarHBondContact O-N 3.44Å; K208-I211 PolarHBondContact O-N 2.94Å; I211-S214 PolarHBondContact O-N 2.56Å; I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 VanDerWaalsContact O-CB 3.29Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.78Å
212I77.9Confident78.3Confident80 Ų80104.6 Ų104.641%0.4150%0.502SS..Hα-helixtrans-68.6-39176.6-73.3163.5000111.1K208 E209 E210 R216K208-I212 VanDerWaalsContact O-CB 3.32Å; K208-I212 WeakPolarHBondContact O-CB 3.48Å; K208-I212 WeakPolarHBondContact O-CD1 3.23Å; K208-I212 WeakPolarHBondContact O-CG1 3.4Å; K208-I212 PolarHBondContact O-N 2.96Å; E209-I212 CarbonylContact O-C 3.57Å; E209-I212 PolarHBondContact O-N 3.34Å; E210-I212 VanDerWaalsContact C-N 3.35Å; I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 WeakPolarHBondContact O-CG 3.13Å; I212-R216 PolarHBondContact O-N 2.83Å
213K84.4Confident77.4Confident90 Ų9099.9 Ų99.939%0.39149%0.489SS..Hα-helixtrans-63.2-45173.2-72.3161.6-159.7163.70110.5E209 E210 R216 L217E209-K213 WeakPolarHBondContact O-CB 3.33Å; E209-K213 VanDerWaalsContact O-CG 3.24Å; E209-K213 WeakPolarHBondContact O-CG 3.2Å; E209-K213 PolarHBondContact O-N 2.98Å; E209-K213 IonicContact OE2-NZ 2.89Å; E209-K213 PolarHBondContact OE2-NZ 3.21Å; E210-K213 PolarHBondContact O-N 2.85Å; E210-K213 VanDerWaalsContact OE1-CD 3.24Å; E210-K213 WeakPolarHBondContact OE1-CD 3.43Å; E210-K213 WeakPolarHBondContact OE1-CE 3.39Å; E210-K213 IonicContact OE1-NZ 3.41Å; E210-K213 PolarHBondContact OE1-NZ 3.16Å; K213-R216 PolarHBondContact O-N 3.31Å; K213-L217 WeakPolarHBondContact O-CB 3.35Å; K213-L217 PolarHBondContact O-N 2.7Å
214S79.4Confident76.7Confident72 Ų7296.2 Ų96.250%0.50348%0.48SS..Hα-helixtrans-63.1-49.2176.4-173.20000112E210 I211 R216 L217 Q218E210-S214 VanDerWaalsContact O-CB 3.24Å; E210-S214 WeakPolarHBondContact O-CB 3.47Å; E210-S214 PolarHBondContact O-N 2.88Å; I211-S214 PolarHBondContact O-N 2.56Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.7Å; S214-L217 PolarHBondContact O-N 2.69Å; S214-Q218 WeakPolarHBondContact O-CB 3.29Å; S214-Q218 PolarHBondContact O-N 3.14Å
215L75.9Confident76.2Confident92 Ų9294.3 Ų94.348%0.48247%0.471SS..Hα-helixtrans-67-30.7176.6-71.8173.5000112.8I211 C219I211-L215 HydrophobicContact CG2-CD1 3.75Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 VanDerWaalsContact O-CB 3.29Å; I211-L215 WeakPolarHBondContact O-CB 3.4Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.46Å; I211-L215 PolarHBondContact O-N 2.78Å; L215-C219 VanDerWaalsContact O-CB 3.23Å; L215-C219 WeakPolarHBondContact O-CB 3.32Å; L215-C219 PolarHBondContact O-N 2.69Å; L215-C219 PolarHBondContact O-SG 3.24Å
216R76.1Confident75.8Confident169 Ų16993.7 Ų93.764%0.63846%0.463SS*.Hα-helixtrans-67.2-51.4169.4-77.8174.4-175.2-166.73.5110.4I212 K213 S214 Q218 C219 D220I212-R216 HydrophobicContact CG2-CG 4.33Å; I212-R216 WeakPolarHBondContact O-CB 3.21Å; I212-R216 WeakPolarHBondContact O-CG 3.13Å; I212-R216 PolarHBondContact O-N 2.83Å; K213-R216 PolarHBondContact O-N 3.31Å; S214-R216 VanDerWaalsContact C-N 3.34Å; S214-R216 PolarHBondContact O-N 2.7Å; R216-Q218 PolarHBondContact O-N 2.75Å; R216-C219 CarbonylContact O-C 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.45Å; R216-C219 PolarHBondContact O-N 3.44Å; R216-C219 VanDerWaalsContact O-N 3.13Å; R216-D220 WeakPolarHBondContact O-CB 3.48Å; R216-D220 PolarHBondContact O-N 2.69Å
217L80.4Confident74.6Confident124 Ų12495.6 Ų95.665%0.64947%0.468SS*.Hα-helixtrans-55-40.7174.4-116.9111.6000112.1K213 S214 D220 Q221K213-L217 WeakPolarHBondContact O-CB 3.35Å; K213-L217 PolarHBondContact O-N 2.7Å; S214-L217 PolarHBondContact O-N 2.69Å; L217-D220 PolarHBondContact O-N 2.66Å; L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.11Å; L217-Q221 PolarHBondContact O-N 3.42Å
218Q73.1Confident73.8Confident121 Ų12197.4 Ų97.457%0.56547%0.471SS*.Hα-helixtrans-72.7-39.6178.9-160.3172.232.400111.7S214 R216 D220 Q222S214-Q218 WeakPolarHBondContact O-CB 3.29Å; S214-Q218 PolarHBondContact O-N 3.14Å; R216-Q218 PolarHBondContact O-N 2.75Å; Q218-D220 VanDerWaalsContact C-N 3.33Å; Q218-Q222 WeakPolarHBondContact O-CB 3.08Å; Q218-Q222 PolarHBondContact O-N 2.81Å
219C66.7Low72.9Confident44 Ų4495 Ų9530%0.29747%0.468SS..Hα-helixtrans-60.6-40.9168.7-78.20000111.9L215 R216 Q222 N223L215-C219 VanDerWaalsContact O-CB 3.23Å; L215-C219 WeakPolarHBondContact O-CB 3.32Å; L215-C219 PolarHBondContact O-N 2.69Å; L215-C219 PolarHBondContact O-SG 3.24Å; R216-C219 CarbonylContact O-C 3.55Å; R216-C219 WeakPolarHBondContact O-CB 3.45Å; R216-C219 PolarHBondContact O-N 3.44Å; R216-C219 VanDerWaalsContact O-N 3.13Å; C219-Q222 PolarHBondContact O-N 2.77Å; C219-N223 WeakPolarHBondContact O-CA 3.4Å; C219-N223 WeakPolarHBondContact O-CB 3.26Å; C219-N223 PolarHBondContact O-N 3.46Å; C219-N223 PolarHBondContact O-ND2 3.24Å
220D72.3Confident71.4Confident88 Ų8894.3 Ų94.347%0.47147%0.465SS..Hα-helixtrans-73.2-41.3-177.7-65.4-24.1000110.1R216 L217 Q218 N223 I224R216-D220 WeakPolarHBondContact O-CB 3.48Å; R216-D220 PolarHBondContact O-N 2.69Å; L217-D220 PolarHBondContact O-N 2.66Å; Q218-D220 VanDerWaalsContact C-N 3.33Å; D220-N223 PolarHBondContact O-N 2.75Å; D220-I224 VanDerWaalsContact O-CB 3.25Å; D220-I224 WeakPolarHBondContact O-CB 3.21Å; D220-I224 WeakPolarHBondContact O-CD1 3.4Å; D220-I224 WeakPolarHBondContact O-CG1 3.28Å; D220-I224 PolarHBondContact O-N 2.72Å
221Q71Confident69.9Low82 Ų8295 Ų9538%0.38347%0.471SS..Hα-helixtrans-61.7-42.9171-162.278.45.400111.4L217 I224 N225L217-Q221 VanDerWaalsContact O-CB 3.25Å; L217-Q221 WeakPolarHBondContact O-CB 3.11Å; L217-Q221 PolarHBondContact O-N 3.42Å; Q221-I224 PolarHBondContact O-N 3.48Å; Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.22Å
222Q69.8Low68.7Low137 Ų13794.1 Ų94.164%0.6448%0.477SS*.Hα-helixtrans-72.5-35.2179.2-166.6173.624.300112.1Q218 C219 N225 K226Q218-Q222 WeakPolarHBondContact O-CB 3.08Å; Q218-Q222 PolarHBondContact O-N 2.81Å; C219-Q222 PolarHBondContact O-N 2.77Å; Q222-N225 PolarHBondContact O-N 2.8Å; Q222-K226 VanDerWaalsContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CB 2.97Å; Q222-K226 PolarHBondContact O-N 3.48Å
223N67.6Low67.5Low65 Ų6596.5 Ų96.535%0.34849%0.491SS..Hα-helixtrans-69.7-40.1171.4-80.3-23000111.3C219 D220 N225 K226 L227C219-N223 WeakPolarHBondContact O-CA 3.4Å; C219-N223 WeakPolarHBondContact O-CB 3.26Å; C219-N223 PolarHBondContact O-N 3.46Å; C219-N223 PolarHBondContact O-ND2 3.24Å; D220-N223 PolarHBondContact O-N 2.75Å; N223-N225 VanDerWaalsContact C-N 3.31Å; N223-N225 PolarHBondContact O-N 3.3Å; N223-K226 PolarHBondContact O-N 2.78Å; N223-L227 WeakPolarHBondContact O-CB 2.94Å; N223-L227 WeakPolarHBondContact O-CG 3.32Å; N223-L227 PolarHBondContact O-N 2.83Å
224I69.6Low65.9Low79 Ų7994.2 Ų94.241%0.40549%0.486SS..Hα-helixtrans-63.2-39.6173.1-73.8164.1000110.3D220 Q221 R228D220-I224 VanDerWaalsContact O-CB 3.25Å; D220-I224 WeakPolarHBondContact O-CB 3.21Å; D220-I224 WeakPolarHBondContact O-CD1 3.4Å; D220-I224 WeakPolarHBondContact O-CG1 3.28Å; D220-I224 PolarHBondContact O-N 2.72Å; Q221-I224 PolarHBondContact O-N 3.48Å; I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.12Å; I224-R228 VanDerWaalsContact O-CG 3.26Å; I224-R228 WeakPolarHBondContact O-CG 3.41Å; I224-R228 PolarHBondContact O-N 2.74Å
225N70.2Confident64.6Low50 Ų5099 Ų9927%0.26750%0.497SS..Hα-helixtrans-69-43.4174.6-77.3-13000112.2Q221 Q222 N223 R228 S229Q221-N225 WeakPolarHBondContact O-CB 3.3Å; Q221-N225 PolarHBondContact O-N 3.22Å; Q222-N225 PolarHBondContact O-N 2.8Å; N223-N225 VanDerWaalsContact C-N 3.31Å; N223-N225 PolarHBondContact O-N 3.3Å; N225-R228 WeakPolarHBondContact O-CB 3.1Å; N225-R228 PolarHBondContact O-N 2.8Å; N225-R228 VanDerWaalsContact O-N 3.15Å; N225-S229 PolarHBondContact O-N 2.73Å; N225-S229 PolarHBondContact O-OG 3.31Å
226K67.7Low63.1Low97 Ų97102.9 Ų102.942%0.42252%0.518SS..Hα-helixtrans-64-46.3176.3-177.6173.6173.31800111.6Q222 N223 R228 S229 E230Q222-K226 VanDerWaalsContact O-CB 3.23Å; Q222-K226 WeakPolarHBondContact O-CB 2.97Å; Q222-K226 PolarHBondContact O-N 3.48Å; N223-K226 PolarHBondContact O-N 2.78Å; K226-R228 VanDerWaalsContact C-N 3.27Å; K226-R228 PolarHBondContact O-N 3.45Å; K226-S229 WeakPolarHBondContact CA-OG 3.26Å; K226-S229 PolarHBondContact O-N 3.23Å; K226-S229 PolarHBondContact O-OG 2.84Å; K226-E230 WeakPolarHBondContact CE-OE1 3.03Å; K226-E230 HydrophobicContact CG-CG 4.44Å; K226-E230 WeakPolarHBondContact CG-OE1 3.43Å; K226-E230 IonicContact NZ-OE1 2.79Å; K226-E230 WeakPolarHBondContact O-CB 3.41Å; K226-E230 WeakPolarHBondContact O-CG 3.1Å; K226-E230 PolarHBondContact O-N 3.31Å
227L56.3Low62.2Low107 Ų10797.5 Ų97.556%0.5651%0.506SS*.Hα-helixtrans-63.2-30.1171.7-71.4169.7000111.9N223 L231N223-L227 WeakPolarHBondContact O-CB 2.94Å; N223-L227 WeakPolarHBondContact O-CG 3.32Å; N223-L227 PolarHBondContact O-N 2.83Å; L227-L231 WeakPolarHBondContact O-CA 3.4Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 2.96Å
228R64.6Low60.7Low128 Ų12898 Ų9848%0.48351%0.506SS..Hα-helixtrans-70-40.5171.4-84.9-179.2-179.3-168.79.5112.7I224 N225 K226 A232 Y663I224-R228 VanDerWaalsContact O-CB 3.31Å; I224-R228 WeakPolarHBondContact O-CB 3.12Å; I224-R228 VanDerWaalsContact O-CG 3.26Å; I224-R228 WeakPolarHBondContact O-CG 3.41Å; I224-R228 PolarHBondContact O-N 2.74Å; N225-R228 WeakPolarHBondContact O-CB 3.1Å; N225-R228 PolarHBondContact O-N 2.8Å; N225-R228 VanDerWaalsContact O-N 3.15Å; K226-R228 VanDerWaalsContact C-N 3.27Å; K226-R228 PolarHBondContact O-N 3.45Å; R228-A232 WeakPolarHBondContact O-CB 3.41Å; R228-A232 PolarHBondContact O-N 2.76Å; R228-A232 VanDerWaalsContact O-N 3.1Å; R228-Y663 PolarHBondContact NH2-OH 2.74Å
229S62.9Low59.9Low62 Ų6295.9 Ų95.943%0.43451%0.508SS..Hα-helixtrans-66.6-47.2172.141.50000111.5N225 K226 L231 A232 D233N225-S229 PolarHBondContact O-N 2.73Å; N225-S229 PolarHBondContact O-OG 3.31Å; K226-S229 WeakPolarHBondContact CA-OG 3.26Å; K226-S229 PolarHBondContact O-N 3.23Å; K226-S229 PolarHBondContact O-OG 2.84Å; S229-L231 PolarHBondContact O-N 3.31Å; S229-A232 WeakPolarHBondContact O-CB 3.38Å; S229-A232 PolarHBondContact O-N 2.85Å; S229-A232 VanDerWaalsContact O-N 3.09Å; S229-D233 PolarHBondContact O-N 3.23Å; S229-D233 VanDerWaalsContact O-N 3.09Å
230E49Very low59.3Low94 Ų9496.4 Ų96.444%0.43952%0.516SS..Hα-helixtrans-65.9-36.8-180-70.9172.4176.800111.3K226 A232 D233 S234K226-E230 WeakPolarHBondContact CE-OE1 3.03Å; K226-E230 HydrophobicContact CG-CG 4.44Å; K226-E230 WeakPolarHBondContact CG-OE1 3.43Å; K226-E230 IonicContact NZ-OE1 2.79Å; K226-E230 WeakPolarHBondContact O-CB 3.41Å; K226-E230 WeakPolarHBondContact O-CG 3.1Å; K226-E230 PolarHBondContact O-N 3.31Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.49Å; E230-D233 PolarHBondContact O-N 3.3Å; E230-S234 WeakPolarHBondContact O-CA 3.19Å; E230-S234 WeakPolarHBondContact O-CB 3.36Å; E230-S234 PolarHBondContact O-N 3.46Å
231L51.1Low58.3Low127 Ų12796.5 Ų96.567%0.66552%0.516SS*.Hα-helixtrans-74.4-18.9174.3-171.163.2000113.5L227 S229L227-L231 WeakPolarHBondContact O-CA 3.4Å; L227-L231 WeakPolarHBondContact O-CB 3.47Å; L227-L231 PolarHBondContact O-N 2.96Å; S229-L231 PolarHBondContact O-N 3.31Å
232A57Low57.7Low68 Ų6898.9 Ų98.956%0.56253%0.527SS*.Hα-helixtrans-73.8-45.817000000111.1R228 S229 E230R228-A232 WeakPolarHBondContact O-CB 3.41Å; R228-A232 PolarHBondContact O-N 2.76Å; R228-A232 VanDerWaalsContact O-N 3.1Å; S229-A232 WeakPolarHBondContact O-CB 3.38Å; S229-A232 PolarHBondContact O-N 2.85Å; S229-A232 VanDerWaalsContact O-N 3.09Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.49Å
233D51.6Low57.2Low131 Ų13199.5 Ų99.570%0.70153%0.53SS*.Hα-helixtrans-86.2-30.7-176.3-67.1-29.7000113.7S229 E230 K235 L236S229-D233 PolarHBondContact O-N 3.23Å; S229-D233 VanDerWaalsContact O-N 3.09Å; E230-D233 PolarHBondContact O-N 3.3Å; D233-K235 PolarHBondContact O-N 2.81Å; D233-K235 VanDerWaalsContact O-N 3.08Å; D233-L236 PolarHBondContact O-N 2.84Å
234S52.1Low56.5Low41 Ų41102.9 Ų102.929%0.28754%0.544SS..G310 helixtrans-65.5-14.2-174.8-179.30000114.4E230 L236 S237 Q238E230-S234 WeakPolarHBondContact O-CA 3.19Å; E230-S234 WeakPolarHBondContact O-CB 3.36Å; E230-S234 PolarHBondContact O-N 3.46Å; S234-L236 PolarHBondContact O-N 3.24Å; S234-S237 PolarHBondContact O-N 2.86Å; S234-Q238 PolarHBondContact O-N 3.43Å; S234-Q238 VanDerWaalsContact O-N 3.08Å
235K51.2Low55.6Low172 Ų172102.8 Ų102.875%0.74855%0.547SS*.G310 helixtrans-60.4-11.2173.7-76.7-170.4175.8-179.70114.6D233D233-K235 PolarHBondContact O-N 2.81Å; D233-K235 VanDerWaalsContact O-N 3.08Å
236L45.2Very low55.3Low174 Ų174107.1 Ų107.191%0.91157%0.565SS**G310 helixtrans-106.7-7.4170.3-148.269.8000114.1D233 S234D233-L236 PolarHBondContact O-N 2.84Å; S234-L236 PolarHBondContact O-N 3.24Å
237S57.1Low54.4Low57 Ų57106.6 Ų106.640%0.39957%0.573SS.*THydrogen-bonded Turntrans-106.8-15.7-175.9-160.80000114S234 A239 A240 L241S234-S237 PolarHBondContact O-N 2.86Å; S237-A239 PolarHBondContact O-N 2.86Å; S237-A240 PolarHBondContact O-N 2.82Å; S237-L241 PolarHBondContact O-N 2.68Å
238Q48.6Very low54.1Low135 Ų135105.9 Ų105.963%0.63157%0.569SS**Hα-helixtrans-52.1-30.5-173.6-168.6170.614.100114.8S234 Q242S234-Q238 PolarHBondContact O-N 3.43Å; S234-Q238 VanDerWaalsContact O-N 3.08Å; Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 2.81Å
239A56.9Low53.3Low75 Ų75105.8 Ų105.862%0.6257%0.572SS**Hα-helixtrans-71.6-40.4176.600000113.6S237 Q242 E243S237-A239 PolarHBondContact O-N 2.86Å; A239-Q242 WeakPolarHBondContact O-CB 3.26Å; A239-Q242 PolarHBondContact O-N 3.2Å; A239-E243 PolarHBondContact O-N 3.47Å
240A52.5Low52.8Low56 Ų56106.2 Ų106.246%0.46358%0.579SS.*Hα-helixtrans-70.6-37.6-178.300000111.9S237 Q242 E243 Q244S237-A240 PolarHBondContact O-N 2.82Å; A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.38Å; A240-E243 PolarHBondContact O-N 2.98Å; A240-Q244 PolarHBondContact O-N 2.88Å
241L53.3Low52.4Low90 Ų90108.3 Ų108.347%0.47159%0.589SS.*Hα-helixtrans-63.7-35170.6-81.6165.8000112S237 E243 Q244 V245S237-L241 PolarHBondContact O-N 2.68Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.96Å; L241-Q244 PolarHBondContact O-N 3.45Å; L241-V245 VanDerWaalsContact O-CB 3.26Å; L241-V245 WeakPolarHBondContact O-CB 3.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.19Å; L241-V245 PolarHBondContact O-N 2.86Å
242Q58.1Low51.9Low132 Ų132110.5 Ų110.562%0.61759%0.593SS**Hα-helixtrans-66.6-34.8-179-164.5164.66.900112.4Q238 A239 A240 Q246Q238-Q242 WeakPolarHBondContact O-CB 3.38Å; Q238-Q242 PolarHBondContact O-N 2.81Å; A239-Q242 WeakPolarHBondContact O-CB 3.26Å; A239-Q242 PolarHBondContact O-N 3.2Å; A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.38Å; Q242-Q246 WeakPolarHBondContact O-CB 3.42Å; Q242-Q246 PolarHBondContact O-N 2.57Å
243E59.1Low51.1Low149 Ų149116.1 Ų116.170%0.69660%0.602SS**Hα-helixtrans-70.1-48174.3-120.1171-172.500112.2A239 A240 L241 V245 Q246 C247A239-E243 PolarHBondContact O-N 3.47Å; A240-E243 PolarHBondContact O-N 2.98Å; L241-E243 VanDerWaalsContact C-N 3.34Å; L241-E243 PolarHBondContact O-N 2.96Å; E243-V245 PolarHBondContact O-N 2.85Å; E243-Q246 PolarHBondContact O-N 3.34Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; E243-C247 PolarHBondContact O-N 3.39Å; E243-C247 VanDerWaalsContact O-N 3.14Å
244Q51.7Low50.5Low137 Ų137113.9 Ų113.964%0.6460%0.596SS**Hα-helixtrans-66.1-39.2179.3-69.2-173.2-700112.7A240 L241 Q246 C247 L248A240-Q244 PolarHBondContact O-N 2.88Å; L241-Q244 PolarHBondContact O-N 3.45Å; Q244-Q246 PolarHBondContact O-N 2.96Å; Q244-C247 PolarHBondContact O-N 3.47Å; Q244-L248 PolarHBondContact O-N 3.48Å
245V52.2Low49.3Very low77 Ų77119.4 Ų119.447%0.46762%0.622SS.*Hα-helixtrans-66-27.1174170.50000111.7L241 E243 K249L241-V245 VanDerWaalsContact O-CB 3.26Å; L241-V245 WeakPolarHBondContact O-CB 3.43Å; L241-V245 WeakPolarHBondContact O-CG2 3.19Å; L241-V245 PolarHBondContact O-N 2.86Å; E243-V245 PolarHBondContact O-N 2.85Å; V245-K249 WeakPolarHBondContact O-CB 3.26Å; V245-K249 PolarHBondContact O-N 3.35Å
246Q62.6Low48.2Very low141 Ų141116 Ų11666%0.65962%0.62SS**Hα-helixtrans-74.8-37175.5-165.1161.10.500112.2Q242 E243 Q244 A250Q242-Q246 WeakPolarHBondContact O-CB 3.42Å; Q242-Q246 PolarHBondContact O-N 2.57Å; E243-Q246 PolarHBondContact O-N 3.34Å; E243-Q246 VanDerWaalsContact O-N 3.13Å; Q244-Q246 PolarHBondContact O-N 2.96Å; Q246-A250 PolarHBondContact O-N 3.36Å
247C49Very low47.5Very low86 Ų86112.7 Ų112.758%0.58161%0.612SS**Hα-helixtrans-65.8-44.3169.1-700000112.5E243 Q244 K249 A250 Q251E243-C247 PolarHBondContact O-N 3.39Å; E243-C247 VanDerWaalsContact O-N 3.14Å; Q244-C247 PolarHBondContact O-N 3.47Å; C247-K249 VanDerWaalsContact C-N 3.32Å; C247-K249 PolarHBondContact O-N 3.16Å; C247-A250 WeakPolarHBondContact O-CB 3.1Å; C247-A250 PolarHBondContact O-N 2.59Å; C247-A250 VanDerWaalsContact O-N 3.14Å; C247-Q251 PolarHBondContact O-N 3.02Å; C247-Q251 VanDerWaalsContact O-N 3.15Å
248L50.4Low46.2Very low91 Ų91116.4 Ų116.448%0.47663%0.632SS.*Hα-helixtrans-65.2-34.5177-73.8167.8000112.2Q244 Q251 F252Q244-L248 PolarHBondContact O-N 3.48Å; L248-Q251 PolarHBondContact O-N 2.78Å; L248-F252 PolarHBondContact O-N 3.37Å
249K48.9Very low45.2Very low127 Ų127118.5 Ų118.555%0.55264%0.642SS**Hα-helixtrans-62.2-40.1170.4-96.5-170.3169.5-174.20112.9V245 C247 Q251 F252 Y253V245-K249 WeakPolarHBondContact O-CB 3.26Å; V245-K249 PolarHBondContact O-N 3.35Å; C247-K249 VanDerWaalsContact C-N 3.32Å; C247-K249 PolarHBondContact O-N 3.16Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.98Å; K249-F252 PolarHBondContact O-N 3.23Å; K249-Y253 VanDerWaalsContact O-CD2 3.31Å; K249-Y253 WeakPolarHBondContact O-CD2 3.22Å; K249-Y253 PolarHBondContact O-N 3.49Å
250A50.8Low43.9Very low70 Ų70123.1 Ų123.158%0.57965%0.651SS**Hα-helixtrans-63.1-36.4175.900000111.8Q246 C247Q246-A250 PolarHBondContact O-N 3.36Å; C247-A250 WeakPolarHBondContact O-CB 3.1Å; C247-A250 PolarHBondContact O-N 2.59Å; C247-A250 VanDerWaalsContact O-N 3.14Å
251Q41.4Very low42.7Very low139 Ų139127.1 Ų127.165%0.6567%0.67SS**Hα-helixtrans-72.5-39.8176.8-70.1178-27.800112.8C247 L248 K249 Y253 S254C247-Q251 PolarHBondContact O-N 3.02Å; C247-Q251 VanDerWaalsContact O-N 3.15Å; L248-Q251 PolarHBondContact O-N 2.78Å; K249-Q251 VanDerWaalsContact C-N 3.28Å; K249-Q251 PolarHBondContact O-N 2.98Å; Q251-Y253 PolarHBondContact O-N 2.86Å; Q251-S254 PolarHBondContact O-OG 3.06Å
252F40.8Very low41.5Very low172 Ų172126.7 Ų126.775%0.75469%0.687SS**Hα-helixtrans-70.6-24.6-179.2-99.1-89.1000115.1L248 K249 S254L248-F252 PolarHBondContact O-N 3.37Å; K249-F252 PolarHBondContact O-N 3.23Å; F252-S254 PolarHBondContact O-N 3.37Å
253Y40.5Very low40Very low187 Ų187128 Ų12873%0.73370%0.698SS**THydrogen-bonded Turntrans-78.713.8177.8-85.3-65.4000115K249 Q251K249-Y253 VanDerWaalsContact O-CD2 3.31Å; K249-Y253 WeakPolarHBondContact O-CD2 3.22Å; K249-Y253 PolarHBondContact O-N 3.49Å; Q251-Y253 PolarHBondContact O-N 2.86Å
254S37.6Very low38.5Very low84 Ų84127.8 Ų127.859%0.58770%0.7SS**THydrogen-bonded Turntrans-96.6-26-176-59.70000115.3Q251 F252Q251-S254 PolarHBondContact O-OG 3.06Å; F252-S254 PolarHBondContact O-N 3.37Å
255N27.3Very low37.4Very low156 Ų156129.3 Ų129.383%0.83471%0.707SS**SBendtrans-124.670.8-167.5-73.2-0.8000112.7
256S28.7Very low36.3Very low101 Ų101133 Ų13371%0.70673%0.725SS**  trans-157.277174.664.10000114
257S29.7Very low34.7Very low104 Ų104133.8 Ų133.873%0.72773%0.728SS**  trans-164.5139.8161.659.40000113.8
258T31Very low34Very low135 Ų135133.7 Ų133.783%0.82873%0.729SS**  trans63.9119.116049.50000119.1
259E27.3Very low33.3Very low179 Ų179134.8 Ų134.884%0.83674%0.744SS**  trans-84.3176.5172.4-61.6127.312600113.9
260E28.2Very low32.7Very low172 Ų172134.2 Ų134.280%0.80475%0.747SS**  trans79.6131.6140.1-95.1-175.7-179.800124.6
261T28.3Very low31.8Very low141 Ų141139.6 Ų139.687%0.86576%0.757SS**  trans71.1144.8156.268.20000121.2
262G28.4Very low31.3Very low81 Ų81140.9 Ų140.984%0.83577%0.767SS**  trans13595.1166.300000115.5
263L27.1Very low30.9Very low160 Ų160139.4 Ų139.484%0.83877%0.767SS**  trans-103.7144.8175.6-94.2165.8000112.6
264L27.3Very low30.6Very low144 Ų144136.2 Ų136.275%0.75477%0.766SS**  trans59.8115150.5-63165.4000120
265Q28Very low30.7Very low169 Ų169142.9 Ų142.979%0.7978%0.779SS**  174.2145.2100.3-95.1177.718.200114.9
266N28.9Very low31.3Very low155 Ų155141.3 Ų141.383%0.82978%0.775SS**  trans-165.8110.2145.9-100.9-44.8000105.5
267E29.1Very low31.6Very low157 Ų157141.6 Ų141.673%0.73477%0.765SS**  59.6132.176.7-72.5-103.7170.800112.3
268S35Very low32.2Very low84 Ų84140.5 Ų140.559%0.58776%0.757SS**  cis-164.8138.413.1-150.90000112.2
269S35.8Very low32.8Very low114 Ų114140.5 Ų140.580%0.79775%0.752SS**  trans150.2144.9148.5-75.70000114.9
270N35.6Very low33.5Very low114 Ų114140.7 Ų140.761%0.6175%0.747SS**  cis-168.4111.9-36-123.9-56.7000110.1
271K31.8Very low34.3Very low183 Ų183136.9 Ų136.980%0.79673%0.731SS**  trans49.893.6148.6-61.6169.4-175.9164.40121.2
272L30.7Very low35.4Very low166 Ų166136.4 Ų136.487%0.86972%0.718SS**  -179154.4126-12167000108.5
273L33.2Very low36.3Very low142 Ų142140 Ų14074%0.74371%0.707SS**  cis-146118.86.3173.466000110.5R275L273-R275 PolarHBondContact O-N 3Å
274V32.7Very low37Very low119 Ų119135 Ų13572%0.72169%0.686SS**  trans-61120.2178.8176.10000112.2
275R40.4Very low38.2Very low225 Ų225131.6 Ų131.685%0.84967%0.668SS**SBendtrans-171.2-19.6146.8-117.3170.5-178.4148.13.5117.9L273L273-R275 PolarHBondContact O-N 3Å
276T41.2Very low39.4Very low122 Ų122129.3 Ų129.375%0.74866%0.657SS**SBendtrans-94.4-19.5-17637.80000114.4S278T276-S278 PolarHBondContact O-N 2.81Å
277E34.7Very low40.4Very low107 Ų107126.8 Ų126.850%0.564%0.643SS.*THydrogen-bonded Turntrans-68.5-19.2-176.8-66.4150129.700113.4N279 Y280 I281E277-N279 PolarHBondContact O-N 2.86Å; E277-N279 VanDerWaalsContact O-N 3.07Å; E277-Y280 PolarHBondContact O-N 2.93Å; E277-I281 HydrophobicContact CB-CD1 3.93Å; E277-I281 HydrophobicContact CB-CG1 4.36Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 3.23Å
278S40.8Very low41.9Very low82 Ų82123.2 Ų123.257%0.57363%0.628SS**Hα-helixtrans-59.8-23.7-176.4-165.40000114.5T276 H282T276-S278 PolarHBondContact O-N 2.81Å; S278-H282 WeakPolarHBondContact O-CB 3.28Å; S278-H282 PolarHBondContact O-N 2.78Å
279N44.4Very low43.3Very low134 Ų134124 Ų12472%0.71763%0.625SS**Hα-helixtrans-95.1-14.6176.4-70.513.8000113E277E277-N279 PolarHBondContact O-N 2.86Å; E277-N279 VanDerWaalsContact O-N 3.07Å
280Y41.6Very low44.5Very low184 Ų184122 Ų12272%0.72260%0.603SS**Hα-helixtrans-88.3-45.8171.4-96.1-88.8000110.6E277 H282 R283 S284E277-Y280 PolarHBondContact O-N 2.93Å; Y280-H282 PolarHBondContact O-N 2.74Å; Y280-R283 CarbonylContact O-C 3.5Å; Y280-R283 PolarHBondContact O-N 2.89Å; Y280-R283 VanDerWaalsContact O-N 3.14Å; Y280-S284 WeakPolarHBondContact O-CB 3.36Å; Y280-S284 PolarHBondContact O-N 3.48Å; Y280-S284 PolarHBondContact O-OG 2.91Å
281I45.2Very low45.1Very low92 Ų92118.2 Ų118.247%0.47258%0.584SS.*Hα-helixtrans-58-48.7174.7-66169.4000110.1E277 R283 S284 D285E277-I281 HydrophobicContact CB-CD1 3.93Å; E277-I281 HydrophobicContact CB-CG1 4.36Å; E277-I281 WeakPolarHBondContact O-CG1 3.46Å; E277-I281 PolarHBondContact O-N 3.23Å; I281-R283 PolarHBondContact O-N 3.44Å; I281-S284 CarbonylContact O-C 3.17Å; I281-S284 WeakPolarHBondContact O-CA 3.25Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 VanDerWaalsContact O-N 3.07Å; I281-D285 WeakPolarHBondContact CG2-OD2 3.18Å; I281-D285 WeakPolarHBondContact O-CB 3.49Å; I281-D285 VanDerWaalsContact O-CG 3.25Å; I281-D285 PolarHBondContact O-N 3.02Å
282H51Low46.4Very low130 Ų130113.2 Ų113.260%0.60257%0.566SS**Hα-helixtrans-64.2-27.1-179.9-154.3-34.7000113.2S278 Y280 E286S278-H282 WeakPolarHBondContact O-CB 3.28Å; S278-H282 PolarHBondContact O-N 2.78Å; Y280-H282 PolarHBondContact O-N 2.74Å; H282-E286 VanDerWaalsContact O-CB 3.3Å; H282-E286 WeakPolarHBondContact O-CB 3.47Å; H282-E286 PolarHBondContact O-N 2.92Å
283R47.7Very low47.8Very low156 Ų156111.6 Ų111.659%0.58955%0.553SS**Hα-helixtrans-81.3-33.5174.3-157.5176.2-169.2-159.8-0.7111.8Y280 I281 E286 I287Y280-R283 CarbonylContact O-C 3.5Å; Y280-R283 PolarHBondContact O-N 2.89Å; Y280-R283 VanDerWaalsContact O-N 3.14Å; I281-R283 PolarHBondContact O-N 3.44Å; R283-E286 PolarHBondContact O-N 3.32Å; R283-I287 WeakPolarHBondContact O-CB 3.2Å; R283-I287 WeakPolarHBondContact O-CD1 3.46Å; R283-I287 WeakPolarHBondContact O-CG1 3.07Å; R283-I287 PolarHBondContact O-N 3.15Å
284S42.3Very low48.3Very low57 Ų57105.1 Ų105.140%0.39952%0.519SS..Hα-helixtrans-65.9-40.1168.4-67.80000111.7Y280 I281 I287 I288Y280-S284 WeakPolarHBondContact O-CB 3.36Å; Y280-S284 PolarHBondContact O-N 3.48Å; Y280-S284 PolarHBondContact O-OG 2.91Å; I281-S284 CarbonylContact O-C 3.17Å; I281-S284 WeakPolarHBondContact O-CA 3.25Å; I281-S284 WeakPolarHBondContact O-CB 3.37Å; I281-S284 PolarHBondContact O-N 2.86Å; I281-S284 VanDerWaalsContact O-N 3.07Å; S284-I287 CarbonylContact O-C 3.52Å; S284-I287 PolarHBondContact O-N 2.75Å; S284-I288 VanDerWaalsContact O-CB 3.31Å; S284-I288 WeakPolarHBondContact O-CB 3.27Å; S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.19Å; S284-I288 PolarHBondContact O-N 3.28Å
285D52Low49.3Very low72 Ų7299.8 Ų99.839%0.38549%0.487SS..Hα-helixtrans-69.9-33175.5-67-24.2000111.4I281 I288 N289I281-D285 WeakPolarHBondContact CG2-OD2 3.18Å; I281-D285 WeakPolarHBondContact O-CB 3.49Å; I281-D285 VanDerWaalsContact O-CG 3.25Å; I281-D285 PolarHBondContact O-N 3.02Å; D285-I288 PolarHBondContact O-N 2.78Å; D285-N289 VanDerWaalsContact O-CB 3.26Å; D285-N289 WeakPolarHBondContact O-CB 3.46Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 PolarHBondContact O-ND2 3.14Å
286E54.3Low50.1Low121 Ų12193.8 Ų93.857%0.56547%0.472SS*.Hα-helixtrans-71.2-39.5172.3-169.6169.4-12400111.2H282 R283 K290H282-E286 VanDerWaalsContact O-CB 3.3Å; H282-E286 WeakPolarHBondContact O-CB 3.47Å; H282-E286 PolarHBondContact O-N 2.92Å; R283-E286 PolarHBondContact O-N 3.32Å; E286-K290 VanDerWaalsContact O-CB 3.28Å; E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 3.33Å
287I49.8Very low50.7Low101 Ų10191.8 Ų91.852%0.51845%0.454SS..Hα-helixtrans-63-41.2168.8-72.1163.1000111R283 S284 T291R283-I287 WeakPolarHBondContact O-CB 3.2Å; R283-I287 WeakPolarHBondContact O-CD1 3.46Å; R283-I287 WeakPolarHBondContact O-CG1 3.07Å; R283-I287 PolarHBondContact O-N 3.15Å; S284-I287 CarbonylContact O-C 3.52Å; S284-I287 PolarHBondContact O-N 2.75Å; I287-T291 VanDerWaalsContact O-CB 3.25Å; I287-T291 WeakPolarHBondContact O-CB 3.36Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.89Å
288I59.1Low51.5Low83 Ų8388.4 Ų88.443%0.42644%0.439SS..Hα-helixtrans-72.9-41.4-179.3-73.1161.2000111.5S284 D285 T291 N292S284-I288 VanDerWaalsContact O-CB 3.31Å; S284-I288 WeakPolarHBondContact O-CB 3.27Å; S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 WeakPolarHBondContact O-CG1 3.19Å; S284-I288 PolarHBondContact O-N 3.28Å; D285-I288 PolarHBondContact O-N 2.78Å; I288-T291 CarbonylContact O-C 3.57Å; I288-T291 VanDerWaalsContact O-CA 3.31Å; I288-T291 WeakPolarHBondContact O-CA 3.3Å; I288-T291 VanDerWaalsContact O-CB 3.31Å; I288-T291 WeakPolarHBondContact O-CB 3.45Å; I288-T291 PolarHBondContact O-N 2.65Å; I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 3.28Å; I288-N292 PolarHBondContact O-ND2 2.88Å
289N64.2Low52.5Low100 Ų10086.8 Ų86.854%0.53542%0.422SS..Hα-helixtrans-70.4-36.9177.4-77.1-57.9000111.7D285 N292 E293D285-N289 VanDerWaalsContact O-CB 3.26Å; D285-N289 WeakPolarHBondContact O-CB 3.46Å; D285-N289 PolarHBondContact O-N 3.12Å; D285-N289 PolarHBondContact O-ND2 3.14Å; N289-N292 PolarHBondContact O-N 2.7Å; N289-E293 PolarHBondContact O-N 2.9Å; N289-E293 VanDerWaalsContact O-N 3.08Å
290K61.9Low53.7Low73 Ų7383.3 Ų83.332%0.31741%0.408SS..Hα-helixtrans-53.7-60.9158.8-90.1177.1165.9176.70108.9E286 N292 E293 Q294 N541E286-K290 VanDerWaalsContact O-CB 3.28Å; E286-K290 WeakPolarHBondContact O-CB 3.29Å; E286-K290 PolarHBondContact O-N 3.33Å; K290-N292 CarbonylContact O-C 3.54Å; K290-N292 PolarHBondContact O-N 3.01Å; K290-E293 PolarHBondContact O-N 3.12Å; K290-Q294 HydrophobicContact CB-CG 4.18Å; K290-Q294 WeakPolarHBondContact O-CA 3.37Å; K290-Q294 WeakPolarHBondContact O-CB 3.42Å; K290-Q294 WeakPolarHBondContact O-CG 3.36Å; K290-Q294 PolarHBondContact O-N 2.74Å; K290-N541 VanDerWaalsContact CD-OD1 3.25Å; K290-N541 WeakPolarHBondContact CD-OD1 3.48Å; K290-N541 WeakPolarHBondContact CE-OD1 3.35Å; K290-N541 PolarHBondContact NZ-ND2 3.22Å; K290-N541 VanDerWaalsContact NZ-ND2 3.12Å; K290-N541 PolarHBondContact NZ-OD1 2.81Å
291T48.4Very low54.4Low34 Ų3477.6 Ų77.621%0.20939%0.39CS..Hα-helixtrans-46.5-24-179.8-57.90000113.2I287 I288 Q294 S295 N548I287-T291 VanDerWaalsContact O-CB 3.25Å; I287-T291 WeakPolarHBondContact O-CB 3.36Å; I287-T291 PolarHBondContact O-N 2.91Å; I287-T291 PolarHBondContact O-OG1 2.89Å; I288-T291 CarbonylContact O-C 3.57Å; I288-T291 VanDerWaalsContact O-CA 3.31Å; I288-T291 WeakPolarHBondContact O-CA 3.3Å; I288-T291 VanDerWaalsContact O-CB 3.31Å; I288-T291 WeakPolarHBondContact O-CB 3.45Å; I288-T291 PolarHBondContact O-N 2.65Å; T291-Q294 CarbonylContact O-C 3.51Å; T291-Q294 VanDerWaalsContact O-C 3.31Å; T291-Q294 WeakPolarHBondContact O-CB 3.44Å; T291-S295 VanDerWaalsContact O-CB 3.27Å; T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.45Å; T291-S295 VanDerWaalsContact O-N 3.09Å; T291-N548 WeakPolarHBondContact CG2-OD1 3.2Å; T291-N548 WeakPolarHBondContact O-CB 3.47Å; T291-N548 PolarHBondContact O-ND2 2.91Å
292N59.1Low55.4Low78 Ų7874.7 Ų74.742%0.41738%0.377SS..Hα-helixtrans-91.5-28.6173.7-67.6-32.4000117.2I288 N289 K290 S295 N296I288-N292 VanDerWaalsContact O-CG 3.29Å; I288-N292 PolarHBondContact O-N 3.28Å; I288-N292 PolarHBondContact O-ND2 2.88Å; N289-N292 PolarHBondContact O-N 2.7Å; K290-N292 CarbonylContact O-C 3.54Å; K290-N292 PolarHBondContact O-N 3.01Å; N292-S295 CarbonylContact O-C 3.45Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.24Å; N292-S295 WeakPolarHBondContact O-CB 3.42Å; N292-S295 PolarHBondContact O-N 3.42Å; N292-N296 PolarHBondContact O-N 2.76Å; N292-N296 PolarHBondContact O-ND2 2.76Å
293E60.2Low55.9Low132 Ų13269.8 Ų69.862%0.61736%0.357SS*.Hα-helixtrans-75.7-39.2164-67.6-176.8144.400110.8N289 K290 S295 N296N289-E293 PolarHBondContact O-N 2.9Å; N289-E293 VanDerWaalsContact O-N 3.08Å; K290-E293 PolarHBondContact O-N 3.12Å; E293-S295 PolarHBondContact O-N 3.2Å; E293-S295 VanDerWaalsContact O-N 3.08Å; E293-N296 WeakPolarHBondContact O-CA 3.37Å; E293-N296 PolarHBondContact O-N 3.45Å
294Q42.8Very low56.7Low5 Ų566.8 Ų66.82%0.02335%0.35CS..THydrogen-bonded Turntrans-50.9-12.5152.4-55.6-177.2-29.500113.6K290 T291 N541 Q544 V545 N548 T549K290-Q294 HydrophobicContact CB-CG 4.18Å; K290-Q294 WeakPolarHBondContact O-CA 3.37Å; K290-Q294 WeakPolarHBondContact O-CB 3.42Å; K290-Q294 WeakPolarHBondContact O-CG 3.36Å; K290-Q294 PolarHBondContact O-N 2.74Å; T291-Q294 CarbonylContact O-C 3.51Å; T291-Q294 VanDerWaalsContact O-C 3.31Å; T291-Q294 WeakPolarHBondContact O-CB 3.44Å; Q294-N541 PolarHBondContact NE2-O 2.78Å; Q294-Q544 VanDerWaalsContact CA-O 3.23Å; Q294-Q544 WeakPolarHBondContact CA-O 3.35Å; Q294-Q544 VanDerWaalsContact CB-C 3.49Å; Q294-Q544 HydrophobicContact CB-CG 4.22Å; Q294-Q544 WeakPolarHBondContact CB-O 3.33Å; Q294-Q544 HydrophobicContact CG-CB 4.27Å; Q294-Q544 HydrophobicContact CG-CG 4.04Å; Q294-Q544 WeakPolarHBondContact CG-O 3.48Å; Q294-V545 VanDerWaalsContact CA-CA 3.48Å; Q294-V545 WeakPolarHBondContact CA-O 3.43Å; Q294-V545 VanDerWaalsContact CG-CA 3.44Å; Q294-V545 HydrophobicContact CG-CB 4.2Å; Q294-V545 HydrophobicContact CG-CG2 3.68Å; Q294-N548 CarbonylContact O-C 3.55Å; Q294-N548 WeakPolarHBondContact O-CA 3.35Å; Q294-N548 WeakPolarHBondContact O-CB 3.5Å; Q294-N548 PolarHBondContact O-N 3.34Å; Q294-T549 VanDerWaalsContact C-OG1 3.32Å; Q294-T549 PolarHBondContact O-N 3.44Å; Q294-T549 PolarHBondContact O-OG1 3.02Å
295S53.4Low57.5Low7 Ų768.8 Ų68.85%0.04936%0.356CS..THydrogen-bonded Turntrans-114.924.9169.1-1360000113.3T291 N292 E293 N548 T549 N552T291-S295 VanDerWaalsContact O-CB 3.27Å; T291-S295 WeakPolarHBondContact O-CB 3.38Å; T291-S295 PolarHBondContact O-N 3.45Å; T291-S295 VanDerWaalsContact O-N 3.09Å; N292-S295 CarbonylContact O-C 3.45Å; N292-S295 WeakPolarHBondContact O-CA 3.49Å; N292-S295 VanDerWaalsContact O-CB 3.24Å; N292-S295 WeakPolarHBondContact O-CB 3.42Å; N292-S295 PolarHBondContact O-N 3.42Å; E293-S295 PolarHBondContact O-N 3.2Å; E293-S295 VanDerWaalsContact O-N 3.08Å; S295-N548 WeakPolarHBondContact OG-CB 3.34Å; S295-N548 PolarHBondContact OG-O 3.48Å; S295-T549 VanDerWaalsContact C-CB 3.49Å; S295-T549 WeakPolarHBondContact CA-OG1 3.37Å; S295-T549 PolarHBondContact N-OG1 3.22Å; S295-T549 WeakPolarHBondContact O-CG2 3.4Å; S295-N552 WeakPolarHBondContact CB-ND2 3.39Å; S295-N552 PolarHBondContact O-ND2 3.13Å; S295-N552 WeakPolarHBondContact OG-CB 3.3Å; S295-N552 PolarHBondContact OG-ND2 2.96Å
296N57.7Low58.2Low99 Ų9970.4 Ų70.453%0.52936%0.361SS..THydrogen-bonded Turntrans-131.7-4.2166-74.3-75000118.8N292 E293 T549N292-N296 PolarHBondContact O-N 2.76Å; N292-N296 PolarHBondContact O-ND2 2.76Å; E293-N296 WeakPolarHBondContact O-CA 3.37Å; E293-N296 PolarHBondContact O-N 3.45Å; N296-T549 WeakPolarHBondContact CA-OG1 3.37Å; N296-T549 VanDerWaalsContact N-CG2 3.34Å; N296-T549 PolarHBondContact N-OG1 3.49Å
297E54.4Low59.1Low80 Ų8070.8 Ų70.837%0.37436%0.361SS..SBendtrans-93.7-52.2178.1-155165.9-99.800117.5K299 S300 L301 V545 Q546 T549E297-K299 PolarHBondContact O-N 3.4Å; E297-S300 WeakPolarHBondContact O-CA 3.43Å; E297-S300 WeakPolarHBondContact O-CB 3.09Å; E297-S300 PolarHBondContact O-N 3.42Å; E297-L301 PolarHBondContact O-N 2.8Å; E297-V545 HydrophobicContact CB-CG1 3.94Å; E297-V545 WeakPolarHBondContact CB-O 3.37Å; E297-V545 HydrophobicContact CG-CG1 4.48Å; E297-Q546 HydrophobicContact CB-CG 4.23Å; E297-Q546 HydrophobicContact CG-CG 4.22Å; E297-Q546 WeakPolarHBondContact OE2-CG 3.48Å; E297-Q546 PolarHBondContact OE2-NE2 3.04Å; E297-T549 PolarHBondContact N-OG1 2.82Å
298I52.2Low59.9Low36 Ų3670.4 Ų70.419%0.18536%0.359CS..Hα-helixtrans-63.5-3.1167-63.8171.1000112.7S300 L301 S302 Q546 T549 V550I298-S300 PolarHBondContact O-N 2.77Å; I298-L301 HydrophobicContact CB-CB 4.17Å; I298-L301 HydrophobicContact CG1-CB 3.92Å; I298-L301 HydrophobicContact CG1-CD1 3.82Å; I298-L301 HydrophobicContact CG1-CG 4.29Å; I298-L301 HydrophobicContact CG2-CB 4.29Å; I298-L301 PolarHBondContact O-N 3.37Å; I298-S302 WeakPolarHBondContact O-CA 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.2Å; I298-S302 PolarHBondContact O-N 3.31Å; I298-Q546 WeakPolarHBondContact CB-O 3.45Å; I298-Q546 VanDerWaalsContact CD1-C 3.48Å; I298-Q546 HydrophobicContact CD1-CB 3.75Å; I298-Q546 VanDerWaalsContact CD1-O 3.25Å; I298-Q546 WeakPolarHBondContact CD1-O 3.49Å; I298-Q546 HydrophobicContact CG1-CB 3.66Å; I298-Q546 HydrophobicContact CG1-CG 4.3Å; I298-Q546 WeakPolarHBondContact CG1-O 3.45Å; I298-T549 VanDerWaalsContact N-CB 3.28Å; I298-T549 PolarHBondContact N-OG1 3.34Å; I298-V550 HydrophobicContact CG2-CB 3.86Å; I298-V550 HydrophobicContact CG2-CG2 4.06Å
299K61.1Low60.2Low48 Ų4870.8 Ų70.821%0.20936%0.362CS..Hα-helixtrans-60-38.9163.2-119.4175.6-141.8-53.20108.5E297 C303 T549 N552 H553E297-K299 PolarHBondContact O-N 3.4Å; K299-C303 WeakPolarHBondContact O-CB 3.11Å; K299-T549 HydrophobicContact CB-CG2 3.55Å; K299-T549 HydrophobicContact CD-CG2 4.04Å; K299-T549 HydrophobicContact CG-CG2 3.6Å; K299-N552 PolarHBondContact NZ-O 3.06Å; K299-H553 VanDerWaalsContact CA-CD2 3.47Å; K299-H553 WeakPolarHBondContact CA-CD2 3.5Å; K299-H553 HydrophobicContact CG-CB 4.32Å; K299-H553 PolarHBondContact O-CD2 3.47Å; K299-H553 PolarHBondContact O-NE2 2.72Å
300S68.7Low60.6Low62 Ų6271.3 Ų71.343%0.43436%0.362SS..Hα-helixtrans-71.8-54.9167.9-1550000111.5E297 I298 Q304E297-S300 WeakPolarHBondContact O-CA 3.43Å; E297-S300 WeakPolarHBondContact O-CB 3.09Å; E297-S300 PolarHBondContact O-N 3.42Å; I298-S300 PolarHBondContact O-N 2.77Å; S300-Q304 VanDerWaalsContact O-CB 3.3Å; S300-Q304 WeakPolarHBondContact O-CB 3.19Å; S300-Q304 WeakPolarHBondContact O-CG 3.23Å; S300-Q304 PolarHBondContact O-N 3.44Å; S300-Q304 PolarHBondContact O-NE2 2.71Å; S300-Q304 PolarHBondContact OG-NE2 3.12Å
301L57.5Low61.1Low63 Ų6374.4 Ų74.433%0.3338%0.375SS..Hα-helixtrans-73.1-33.3-169.1-54.5174.5000114.7E297 I298 Q304 L305 Q546E297-L301 PolarHBondContact O-N 2.8Å; I298-L301 HydrophobicContact CB-CB 4.17Å; I298-L301 HydrophobicContact CG1-CB 3.92Å; I298-L301 HydrophobicContact CG1-CD1 3.82Å; I298-L301 HydrophobicContact CG1-CG 4.29Å; I298-L301 HydrophobicContact CG2-CB 4.29Å; I298-L301 PolarHBondContact O-N 3.37Å; L301-Q304 PolarHBondContact O-N 3.09Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 PolarHBondContact O-N 3.47Å; L301-Q546 HydrophobicContact CD1-CG 3.93Å
302S65Low62.1Low31 Ų3176.8 Ų76.822%0.21739%0.386CS..Hα-helixtrans-75-40175.5178.40000111.1I298 Q304 L305 E306I298-S302 WeakPolarHBondContact O-CA 3.13Å; I298-S302 WeakPolarHBondContact O-CB 3.2Å; I298-S302 PolarHBondContact O-N 3.31Å; S302-Q304 PolarHBondContact O-N 2.97Å; S302-L305 CarbonylContact O-C 3.51Å; S302-L305 PolarHBondContact O-N 3.08Å; S302-E306 VanDerWaalsContact O-CB 3.32Å; S302-E306 WeakPolarHBondContact O-CB 3.3Å; S302-E306 PolarHBondContact O-N 3.44Å
303C62.4Low62.5Low27 Ų2775.6 Ų75.618%0.18239%0.387CS..Hα-helixtrans-67.9-27.6171.3-1660000111.9K299 K307K299-C303 WeakPolarHBondContact O-CB 3.11Å; C303-K307 VanDerWaalsContact O-CB 3.31Å; C303-K307 WeakPolarHBondContact O-CB 3.39Å; C303-K307 VanDerWaalsContact O-CD 3.27Å; C303-K307 WeakPolarHBondContact O-CD 2.96Å; C303-K307 WeakPolarHBondContact O-CG 3.08Å; C303-K307 PolarHBondContact O-N 3.1Å; C303-K307 VanDerWaalsContact O-N 3.09Å; C303-K307 VanDerWaalsContact SG-CE 3.57Å; C303-K307 PolarHBondContact SG-NZ 3.09Å
304Q64.2Low63.1Low94 Ų9473.3 Ų73.344%0.43938%0.379SS..Hα-helixtrans-71.9-43.8168.8-76.5175.975.600111.9S300 L301 S302 K307 L308S300-Q304 VanDerWaalsContact O-CB 3.3Å; S300-Q304 WeakPolarHBondContact O-CB 3.19Å; S300-Q304 WeakPolarHBondContact O-CG 3.23Å; S300-Q304 PolarHBondContact O-N 3.44Å; S300-Q304 PolarHBondContact O-NE2 2.71Å; S300-Q304 PolarHBondContact OG-NE2 3.12Å; L301-Q304 PolarHBondContact O-N 3.09Å; S302-Q304 PolarHBondContact O-N 2.97Å; Q304-K307 CarbonylContact O-C 3.52Å; Q304-K307 PolarHBondContact O-N 3.03Å; Q304-L308 WeakPolarHBondContact O-CB 3.33Å; Q304-L308 VanDerWaalsContact O-CG 3.23Å; Q304-L308 WeakPolarHBondContact O-CG 3.18Å; Q304-L308 PolarHBondContact O-N 2.95Å
305L58.8Low64.3Low98 Ų9875.5 Ų75.551%0.51340%0.395SS..Hα-helixtrans-61.6-41.1173.7-93.9162.6000112.1L301 S302 L308 N309L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 PolarHBondContact O-N 3.47Å; S302-L305 CarbonylContact O-C 3.51Å; S302-L305 PolarHBondContact O-N 3.08Å; L305-L308 CarbonylContact O-C 3.54Å; L305-L308 PolarHBondContact O-N 2.93Å; L305-N309 VanDerWaalsContact O-CB 3.25Å; L305-N309 WeakPolarHBondContact O-CB 3.34Å; L305-N309 PolarHBondContact O-N 3.24Å
306E67.2Low65.2Low107 Ų10778.3 Ų78.350%0.541%0.407SS..Hα-helixtrans-67.8-40.6176-171.4176-139.200111S302 L308 N309 Q310S302-E306 VanDerWaalsContact O-CB 3.32Å; S302-E306 WeakPolarHBondContact O-CB 3.3Å; S302-E306 PolarHBondContact O-N 3.44Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.09Å; E306-N309 PolarHBondContact O-N 2.84Å; E306-Q310 WeakPolarHBondContact O-CB 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å
307K72.1Confident66Low128 Ų12878.3 Ų78.356%0.55741%0.407SS*.Hα-helixtrans-67.7-26.9171.1-74.6165.9-174.2150.20113.4C303 Q304 K311C303-K307 VanDerWaalsContact O-CB 3.31Å; C303-K307 WeakPolarHBondContact O-CB 3.39Å; C303-K307 VanDerWaalsContact O-CD 3.27Å; C303-K307 WeakPolarHBondContact O-CD 2.96Å; C303-K307 WeakPolarHBondContact O-CG 3.08Å; C303-K307 PolarHBondContact O-N 3.1Å; C303-K307 VanDerWaalsContact O-N 3.09Å; C303-K307 VanDerWaalsContact SG-CE 3.57Å; C303-K307 PolarHBondContact SG-NZ 3.09Å; Q304-K307 CarbonylContact O-C 3.52Å; Q304-K307 PolarHBondContact O-N 3.03Å; K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 WeakPolarHBondContact O-CD 3.25Å; K307-K311 WeakPolarHBondContact O-CG 3.5Å; K307-K311 PolarHBondContact O-N 2.87Å
308L66.6Low67Low93 Ų9378.3 Ų78.349%0.48741%0.409SS..Hα-helixtrans-79.7-39.7173.9-76.7166.9000111.1Q304 L305 E306 K311 L312Q304-L308 WeakPolarHBondContact O-CB 3.33Å; Q304-L308 VanDerWaalsContact O-CG 3.23Å; Q304-L308 WeakPolarHBondContact O-CG 3.18Å; Q304-L308 PolarHBondContact O-N 2.95Å; L305-L308 CarbonylContact O-C 3.54Å; L305-L308 PolarHBondContact O-N 2.93Å; E306-L308 VanDerWaalsContact C-N 3.3Å; E306-L308 PolarHBondContact O-N 3.09Å; L308-K311 CarbonylContact O-C 3.57Å; L308-K311 WeakPolarHBondContact O-CB 3.48Å; L308-K311 PolarHBondContact O-N 3.2Å; L308-L312 VanDerWaalsContact O-CB 3.31Å; L308-L312 WeakPolarHBondContact O-CB 3.32Å; L308-L312 PolarHBondContact O-N 2.9Å
309N66.5Low68.2Low91 Ų9182.3 Ų82.349%0.48742%0.422SS..Hα-helixtrans-70.5-35.8176.1-73.6-11.5000111.6L305 E306 L312 A313L305-N309 VanDerWaalsContact O-CB 3.25Å; L305-N309 WeakPolarHBondContact O-CB 3.34Å; L305-N309 PolarHBondContact O-N 3.24Å; E306-N309 PolarHBondContact O-N 2.84Å; N309-L312 PolarHBondContact O-N 3.36Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.39Å
310Q72.7Confident69Low111 Ų11184.8 Ų84.852%0.51944%0.436SS..Hα-helixtrans-64.8-43.3168.8-174.761.658.100110.8E306 L312 A313 D314E306-Q310 WeakPolarHBondContact O-CB 3.49Å; E306-Q310 PolarHBondContact O-N 3.43Å; Q310-L312 VanDerWaalsContact C-N 3.26Å; Q310-L312 PolarHBondContact O-N 3.31Å; Q310-A313 PolarHBondContact O-N 2.89Å; Q310-D314 PolarHBondContact NE2-OD1 2.87Å; Q310-D314 WeakPolarHBondContact O-CB 3.35Å; Q310-D314 PolarHBondContact O-N 2.79Å
311K72.4Confident69.5Low138 Ų13887.9 Ų87.960%0.644%0.438SS*.Hα-helixtrans-64-30.9172.5-76.7171.3-177.8178.40112.9K307 L308 S315K307-K311 WeakPolarHBondContact O-CB 3.4Å; K307-K311 WeakPolarHBondContact O-CD 3.25Å; K307-K311 WeakPolarHBondContact O-CG 3.5Å; K307-K311 PolarHBondContact O-N 2.87Å; L308-K311 CarbonylContact O-C 3.57Å; L308-K311 WeakPolarHBondContact O-CB 3.48Å; L308-K311 PolarHBondContact O-N 3.2Å; K311-S315 WeakPolarHBondContact O-CB 3.27Å; K311-S315 PolarHBondContact O-N 2.78Å
312L70Confident70.3Confident85 Ų8589 Ų8945%0.44544%0.444SS..Hα-helixtrans-73.2-41.5176.3-168.768.8000110.4L308 N309 Q310 S315 E316L308-L312 VanDerWaalsContact O-CB 3.31Å; L308-L312 WeakPolarHBondContact O-CB 3.32Å; L308-L312 PolarHBondContact O-N 2.9Å; N309-L312 PolarHBondContact O-N 3.36Å; Q310-L312 VanDerWaalsContact C-N 3.26Å; Q310-L312 PolarHBondContact O-N 3.31Å; L312-S315 CarbonylContact O-C 3.56Å; L312-S315 PolarHBondContact O-N 3.1Å; L312-E316 VanDerWaalsContact O-CB 3.3Å; L312-E316 WeakPolarHBondContact O-CB 3.28Å; L312-E316 PolarHBondContact O-N 2.79Å
313A67.1Low70.8Confident53 Ų5391.8 Ų91.844%0.43846%0.457SS..Hα-helixtrans-64.7-45.3172.500000111.7N309 Q310 S315 E316 D317N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.39Å; Q310-A313 PolarHBondContact O-N 2.89Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3.25Å; A313-E316 PolarHBondContact O-N 3.48Å; A313-D317 WeakPolarHBondContact O-CB 3.48Å; A313-D317 PolarHBondContact O-N 3.04Å
314D71.4Confident71.6Confident83 Ų8396.8 Ų96.844%0.44448%0.475SS..Hα-helixtrans-59.5-41.3172.2-66.8-8.7000110.7Q310 I318Q310-D314 PolarHBondContact NE2-OD1 2.87Å; Q310-D314 WeakPolarHBondContact O-CB 3.35Å; Q310-D314 PolarHBondContact O-N 2.79Å; D314-I318 WeakPolarHBondContact O-CB 3.4Å; D314-I318 WeakPolarHBondContact O-CD1 3.49Å; D314-I318 WeakPolarHBondContact O-CG1 3.22Å; D314-I318 PolarHBondContact O-N 3.25Å
315S68.2Low72.2Confident51 Ų5196.3 Ų96.336%0.35747%0.473SS..Hα-helixtrans-69.3-32.8176.4-174.10000112.7K311 L312 A313 R319K311-S315 WeakPolarHBondContact O-CB 3.27Å; K311-S315 PolarHBondContact O-N 2.78Å; L312-S315 CarbonylContact O-C 3.56Å; L312-S315 PolarHBondContact O-N 3.1Å; A313-S315 VanDerWaalsContact C-N 3.29Å; A313-S315 PolarHBondContact O-N 3.25Å; S315-R319 WeakPolarHBondContact O-CB 3.49Å; S315-R319 PolarHBondContact O-N 3.08Å
316E73.8Confident73Confident67 Ų6794.7 Ų94.731%0.31347%0.467SS..Hα-helixtrans-79.8-37.2179.6-162.157.9-132.400111.1L312 A313 I318 R319 I320L312-E316 VanDerWaalsContact O-CB 3.3Å; L312-E316 WeakPolarHBondContact O-CB 3.28Å; L312-E316 PolarHBondContact O-N 2.79Å; A313-E316 PolarHBondContact O-N 3.48Å; E316-I318 VanDerWaalsContact C-N 3.29Å; E316-I318 PolarHBondContact O-N 3.27Å; E316-R319 CarbonylContact O-C 3.6Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-R319 VanDerWaalsContact O-N 3.09Å; E316-R319 VanDerWaalsContact OE1-CD 3.27Å; E316-R319 WeakPolarHBondContact OE1-CD 3.19Å; E316-R319 IonicContact OE1-CZ 2.64Å; E316-R319 IonicContact OE1-NE 2.65Å; E316-R319 PolarHBondContact OE1-NE 3.1Å; E316-R319 IonicContact OE2-CZ 3.02Å; E316-R319 IonicContact OE2-NE 2.68Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.7Å; E316-R319 PolarHBondContact OE2-NH2 2.94Å; E316-I320 HydrophobicContact CG-CD1 4.18Å; E316-I320 WeakPolarHBondContact O-CB 3.48Å; E316-I320 VanDerWaalsContact O-CG1 3.25Å; E316-I320 WeakPolarHBondContact O-CG1 3.39Å; E316-I320 PolarHBondContact O-N 3.37Å
317D73.4Confident73.4Confident98 Ų9893.1 Ų93.152%0.52446%0.462SS..Hα-helixtrans-66.8-33.5170.1-16264.6000110.9A313 R321A313-D317 WeakPolarHBondContact O-CB 3.48Å; A313-D317 PolarHBondContact O-N 3.04Å; D317-R321 VanDerWaalsContact O-CB 3.23Å; D317-R321 WeakPolarHBondContact O-CB 3.33Å; D317-R321 PolarHBondContact O-N 2.83Å
318I76.5Confident73.6Confident80 Ų8092.7 Ų92.741%0.4146%0.462SS..Hα-helixtrans-64.5-43.3165.6-72.9166000111.5D314 E316 R321 L322D314-I318 WeakPolarHBondContact O-CB 3.4Å; D314-I318 WeakPolarHBondContact O-CD1 3.49Å; D314-I318 WeakPolarHBondContact O-CG1 3.22Å; D314-I318 PolarHBondContact O-N 3.25Å; E316-I318 VanDerWaalsContact C-N 3.29Å; E316-I318 PolarHBondContact O-N 3.27Å; I318-R321 PolarHBondContact O-N 3.43Å; I318-L322 HydrophobicContact CG2-CD1 3.84Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 2.95Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.03Å
319R77.6Confident73.8Confident121 Ų12193.9 Ų93.946%0.45747%0.468SS..Hα-helixtrans-62.9-49.5178.3-160.5-156.6-48.3-97.60110.8S315 E316 R321 L322 D323S315-R319 WeakPolarHBondContact O-CB 3.49Å; S315-R319 PolarHBondContact O-N 3.08Å; E316-R319 CarbonylContact O-C 3.6Å; E316-R319 WeakPolarHBondContact O-CB 3.28Å; E316-R319 PolarHBondContact O-N 3.4Å; E316-R319 VanDerWaalsContact O-N 3.09Å; E316-R319 VanDerWaalsContact OE1-CD 3.27Å; E316-R319 WeakPolarHBondContact OE1-CD 3.19Å; E316-R319 IonicContact OE1-CZ 2.64Å; E316-R319 IonicContact OE1-NE 2.65Å; E316-R319 PolarHBondContact OE1-NE 3.1Å; E316-R319 IonicContact OE2-CZ 3.02Å; E316-R319 IonicContact OE2-NE 2.68Å; E316-R319 PolarHBondContact OE2-NE 3.02Å; E316-R319 IonicContact OE2-NH2 2.7Å; E316-R319 PolarHBondContact OE2-NH2 2.94Å; R319-R321 VanDerWaalsContact C-N 3.33Å; R319-R321 PolarHBondContact O-N 2.74Å; R319-L322 CarbonylContact O-C 3.6Å; R319-L322 PolarHBondContact O-N 3.23Å; R319-D323 WeakPolarHBondContact O-CB 3.4Å; R319-D323 PolarHBondContact O-N 3.41Å
320I77.5Confident74Confident100 Ų10095.8 Ų95.851%0.51347%0.473SS..Hα-helixtrans-60.6-41.2177.2-69165.3000110.7E316 D323 K324E316-I320 HydrophobicContact CG-CD1 4.18Å; E316-I320 WeakPolarHBondContact O-CB 3.48Å; E316-I320 VanDerWaalsContact O-CG1 3.25Å; E316-I320 WeakPolarHBondContact O-CG1 3.39Å; E316-I320 PolarHBondContact O-N 3.37Å; I320-D323 PolarHBondContact O-N 2.84Å; I320-K324 VanDerWaalsContact O-CB 3.31Å; I320-K324 WeakPolarHBondContact O-CB 3.43Å; I320-K324 PolarHBondContact O-N 3.49Å
321R78.6Confident74Confident126 Ų12694.2 Ų94.248%0.47547%0.474SS..Hα-helixtrans-69-40.1175.7-158.2-176.674.9-117.4-0.4112.1D317 I318 R319 K324 E325D317-R321 VanDerWaalsContact O-CB 3.23Å; D317-R321 WeakPolarHBondContact O-CB 3.33Å; D317-R321 PolarHBondContact O-N 2.83Å; I318-R321 PolarHBondContact O-N 3.43Å; R319-R321 VanDerWaalsContact C-N 3.33Å; R319-R321 PolarHBondContact O-N 2.74Å; R321-K324 PolarHBondContact O-N 2.83Å; R321-E325 IonicContact NE-OE1 2.61Å; R321-E325 PolarHBondContact NE-OE1 3.35Å; R321-E325 WeakPolarHBondContact O-CB 3.4Å; R321-E325 VanDerWaalsContact O-CG 3.31Å; R321-E325 WeakPolarHBondContact O-CG 3.5Å; R321-E325 PolarHBondContact O-N 3.35Å
322L74.5Confident73.8Confident87 Ų8790.3 Ų90.346%0.45547%0.467SS..Hα-helixtrans-64.2-41.2173.2-78.5171.6000111.9I318 R319 K324 E325 V326I318-L322 HydrophobicContact CG2-CD1 3.84Å; I318-L322 HydrophobicContact CG2-CG 4.35Å; I318-L322 WeakPolarHBondContact O-CB 2.95Å; I318-L322 WeakPolarHBondContact O-CG 3.39Å; I318-L322 PolarHBondContact O-N 3.03Å; R319-L322 CarbonylContact O-C 3.6Å; R319-L322 PolarHBondContact O-N 3.23Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.87Å; L322-E325 PolarHBondContact O-N 3.05Å; L322-V326 VanDerWaalsContact O-CB 3.22Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 WeakPolarHBondContact O-CG2 3.34Å; L322-V326 PolarHBondContact O-N 2.69Å
323D75Confident72.9Confident89 Ų8990.5 Ų90.548%0.47647%0.468SS..Hα-helixtrans-68.8-32.7177.5-128.9-1.1000110.9R319 I320 N327R319-D323 WeakPolarHBondContact O-CB 3.4Å; R319-D323 PolarHBondContact O-N 3.41Å; I320-D323 PolarHBondContact O-N 2.84Å; D323-N327 VanDerWaalsContact O-CB 3.24Å; D323-N327 WeakPolarHBondContact O-CB 3.42Å; D323-N327 VanDerWaalsContact O-CG 3.3Å; D323-N327 PolarHBondContact O-N 2.76Å; D323-N327 PolarHBondContact O-ND2 3.41Å
324K80.4Confident72.1Confident132 Ų13290.2 Ų90.257%0.57447%0.47SS*.Hα-helixtrans-67.6-48.6170.8-169.1174.3-179.2179.10111.8I320 R321 L322 V326 N327 E328I320-K324 VanDerWaalsContact O-CB 3.31Å; I320-K324 WeakPolarHBondContact O-CB 3.43Å; I320-K324 PolarHBondContact O-N 3.49Å; R321-K324 PolarHBondContact O-N 2.83Å; L322-K324 VanDerWaalsContact C-N 3.3Å; L322-K324 PolarHBondContact O-N 2.87Å; K324-V326 VanDerWaalsContact C-N 3.32Å; K324-V326 PolarHBondContact O-N 3.13Å; K324-N327 PolarHBondContact O-N 2.85Å; K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 WeakPolarHBondContact O-CB 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.3Å; K324-E328 PolarHBondContact O-N 3.28Å
325E76.9Confident71.4Confident84 Ų8490.2 Ų90.239%0.39348%0.477SS..Hα-helixtrans-59.7-40.8174.3-72.8172.4-148.500111.1R321 L322 E328 L329R321-E325 IonicContact NE-OE1 2.61Å; R321-E325 PolarHBondContact NE-OE1 3.35Å; R321-E325 WeakPolarHBondContact O-CB 3.4Å; R321-E325 VanDerWaalsContact O-CG 3.31Å; R321-E325 WeakPolarHBondContact O-CG 3.5Å; R321-E325 PolarHBondContact O-N 3.35Å; L322-E325 PolarHBondContact O-N 3.05Å; E325-E328 PolarHBondContact O-N 3.4Å; E325-L329 VanDerWaalsContact O-CB 3.27Å; E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.33Å; E325-L329 PolarHBondContact O-N 2.84Å
326V75.1Confident70.4Confident65 Ų6591.2 Ų91.239%0.39448%0.484SS..Hα-helixtrans-68.9-36.1175.9165.40000112.1L322 K324 K330L322-V326 VanDerWaalsContact O-CB 3.22Å; L322-V326 WeakPolarHBondContact O-CB 3.43Å; L322-V326 WeakPolarHBondContact O-CG2 3.34Å; L322-V326 PolarHBondContact O-N 2.69Å; K324-V326 VanDerWaalsContact C-N 3.32Å; K324-V326 PolarHBondContact O-N 3.13Å; V326-K330 WeakPolarHBondContact O-CB 3.48Å; V326-K330 PolarHBondContact O-N 3.17Å
327N75.3Confident68.8Low73 Ų7395.5 Ų95.539%0.3950%0.501SS..Hα-helixtrans-75.9-34.4175.6-77.4-55.7000112.5D323 K324 K330 S331D323-N327 VanDerWaalsContact O-CB 3.24Å; D323-N327 WeakPolarHBondContact O-CB 3.42Å; D323-N327 VanDerWaalsContact O-CG 3.3Å; D323-N327 PolarHBondContact O-N 2.76Å; D323-N327 PolarHBondContact O-ND2 3.41Å; K324-N327 PolarHBondContact O-N 2.85Å; N327-K330 PolarHBondContact O-N 3.45Å; N327-S331 WeakPolarHBondContact O-CB 3.24Å; N327-S331 PolarHBondContact O-N 2.93Å; N327-S331 PolarHBondContact O-OG 3.11Å
328E76.1Confident67.5Low119 Ų11995.5 Ų95.556%0.55651%0.509SS*.Hα-helixtrans-64.6-43.5168.9-73.3178.2-158.700110.6K324 E325 S331 A332K324-E328 WeakPolarHBondContact CE-OE1 3.31Å; K324-E328 WeakPolarHBondContact O-CB 3.26Å; K324-E328 WeakPolarHBondContact O-CG 3.3Å; K324-E328 PolarHBondContact O-N 3.28Å; E325-E328 PolarHBondContact O-N 3.4Å; E328-S331 PolarHBondContact O-N 3.38Å; E328-A332 WeakPolarHBondContact O-CB 3.2Å; E328-A332 PolarHBondContact O-N 2.71Å
329L71.4Confident65.7Low118 Ų11899.7 Ų99.762%0.61853%0.527SS*.Hα-helixtrans-65.2-38.9172.2-74170.3000112.8E325 S331 A332 L333E325-L329 VanDerWaalsContact O-CB 3.27Å; E325-L329 WeakPolarHBondContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CG 3.33Å; E325-L329 PolarHBondContact O-N 2.84Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.05Å; L329-A332 PolarHBondContact O-N 3.15Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.41Å
330K70.5Confident63.7Low132 Ų132100.7 Ų100.757%0.57455%0.546SS*.Hα-helixtrans-61.2-39.8171-97.8171.7174.6166.40111.4V326 N327 G334V326-K330 WeakPolarHBondContact O-CB 3.48Å; V326-K330 PolarHBondContact O-N 3.17Å; N327-K330 PolarHBondContact O-N 3.45Å; K330-G334 WeakPolarHBondContact O-CA 3.25Å; K330-G334 PolarHBondContact O-N 3.18Å
331S72.6Confident61.5Low78 Ų78102.6 Ų102.655%0.54556%0.557SS.*Hα-helixtrans-70.9-40.6179-59.90000111.6N327 E328 L329 S335N327-S331 WeakPolarHBondContact O-CB 3.24Å; N327-S331 PolarHBondContact O-N 2.93Å; N327-S331 PolarHBondContact O-OG 3.11Å; E328-S331 PolarHBondContact O-N 3.38Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.05Å; S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.04Å; S331-S335 PolarHBondContact O-OG 2.92Å
332A67.3Low59.3Low55 Ų55102.3 Ų102.346%0.45557%0.572SS.*Hα-helixtrans-66.7-40.6172.800000112.3E328 L329 S335 S336E328-A332 WeakPolarHBondContact O-CB 3.2Å; E328-A332 PolarHBondContact O-N 2.71Å; L329-A332 PolarHBondContact O-N 3.15Å; A332-S335 PolarHBondContact O-N 2.99Å; A332-S336 WeakPolarHBondContact O-CB 3.29Å; A332-S336 PolarHBondContact O-N 3.47Å; A332-S336 PolarHBondContact O-OG 2.9Å
333L51.8Low57.4Low90 Ų90103.5 Ų103.547%0.47158%0.583SS.*Hα-helixtrans-71.6-34.7176.6-173.962.2000112L329 S336 K337L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 PolarHBondContact O-N 3.41Å; L333-S336 WeakPolarHBondContact CA-OG 3.48Å; L333-S336 PolarHBondContact O-OG 3.27Å; L333-K337 HydrophobicContact CD1-CD 4.49Å; L333-K337 HydrophobicContact CD1-CG 4.42Å; L333-K337 HydrophobicContact CG-CD 4.18Å; L333-K337 VanDerWaalsContact O-CB 3.23Å; L333-K337 WeakPolarHBondContact O-CB 3.34Å; L333-K337 WeakPolarHBondContact O-CG 3.27Å; L333-K337 PolarHBondContact O-N 3.11Å
334G51.2Low55.6Low47 Ų47106.2 Ų106.249%0.48560%0.596SS.*Hα-helixtrans-66.2-41.7171.800000111.8K330K330-G334 WeakPolarHBondContact O-CA 3.25Å; K330-G334 PolarHBondContact O-N 3.18Å
335S56Low53.3Low82 Ų82106.6 Ų106.657%0.57360%0.603SS**Hα-helixtrans-63.3-48174.3-57.70000111.6S331 A332 S338S331-S335 WeakPolarHBondContact O-CB 3.27Å; S331-S335 PolarHBondContact O-N 3.04Å; S331-S335 PolarHBondContact O-OG 2.92Å; A332-S335 PolarHBondContact O-N 2.99Å; S335-S338 WeakPolarHBondContact O-CB 3.22Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact O-OG 3.3Å
336S48.1Very low51.1Low73 Ų73107.2 Ų107.251%0.5162%0.616SS.*Hα-helixtrans-77-18-178.551.60000114.7A332 L333 S338A332-S336 WeakPolarHBondContact O-CB 3.29Å; A332-S336 PolarHBondContact O-N 3.47Å; A332-S336 PolarHBondContact O-OG 2.9Å; L333-S336 WeakPolarHBondContact CA-OG 3.48Å; L333-S336 PolarHBondContact O-OG 3.27Å; S336-S338 PolarHBondContact O-N 3.35Å
337K40.1Very low49Very low157 Ų157111 Ų11168%0.68363%0.634SS**THydrogen-bonded Turntrans-71.9-5.3168.6-82.7174.6176.6177.90114.3L333L333-K337 HydrophobicContact CD1-CD 4.49Å; L333-K337 HydrophobicContact CD1-CG 4.42Å; L333-K337 HydrophobicContact CG-CD 4.18Å; L333-K337 VanDerWaalsContact O-CB 3.23Å; L333-K337 WeakPolarHBondContact O-CB 3.34Å; L333-K337 WeakPolarHBondContact O-CG 3.27Å; L333-K337 PolarHBondContact O-N 3.11Å
338S45.6Very low47Very low98 Ų98114.9 Ų114.969%0.68566%0.655SS**THydrogen-bonded Turntrans-82.9-17.8176.170.20000114.3S335 S336S335-S338 WeakPolarHBondContact O-CB 3.22Å; S335-S338 PolarHBondContact O-N 3.31Å; S335-S338 PolarHBondContact O-OG 3.3Å; S336-S338 PolarHBondContact O-N 3.35Å
339E37.6Very low45.2Very low168 Ų168118 Ų11879%0.78567%0.67SS**SBendtrans-128.991.1176.7-70.9-167.4129.300111.9
340V36.3Very low43.1Very low141 Ų141118.9 Ų118.986%0.85568%0.684SS**  trans-178.7129.6140.9143.30000108.4
341N32.3Very low41.2Very low140 Ų140118.7 Ų118.775%0.74969%0.689SS**  trans-99.2123.6-168.9-160.31.6000110.7T343N341-T343 PolarHBondContact O-N 3.24Å
342P31.4Very low39.8Very low121 Ų121119.7 Ų119.779%0.78669%0.694SS**  trans-79.877.8-171.632.1-36.6000112.7
343T34.2Very low38.6Very low112 Ų112119.2 Ų119.269%0.68770%0.695SS**  trans-153.1152.3172.1-53.80000109.8N341N341-T343 PolarHBondContact O-N 3.24Å
344I37Very low37.8Very low146 Ų146121.3 Ų121.375%0.74971%0.706SS**  trans86.190.9-168.7-53.2168.7000110.4
345I31.8Very low37.7Very low139 Ų139123.6 Ų123.671%0.71371%0.71SS**  6588.977.9-59.5163.8000108.8
346S31.9Very low37.4Very low97 Ų97125.4 Ų125.468%0.67871%0.713SS**  66.4140.282.381.20000114.9
347D31.3Very low37.1Very low144 Ų144127.1 Ų127.177%0.7772%0.716SS**  trans74.3116.6176.3-63.8-16.1000119.6
348N32.8Very low37.7Very low156 Ų156125 Ų12583%0.83471%0.709SS**  trans88138.5154.1-63.3-58.2000121.8
349Q38.3Very low38.6Very low185 Ų185124 Ų12486%0.86470%0.698SS**  trans67.371.4163.1-66.3-175.5-8.500119.1
350C26.8Very low40Very low136 Ų136120.5 Ų120.592%0.91969%0.685SS**  23.7113.4123.9-167.70000117.6
351N31.4Very low41.4Very low127 Ų127118 Ų11868%0.67967%0.666SS**  trans-138.3127.8171.5-163.1-2.3000109.4G353 L354N351-G353 PolarHBondContact O-N 2.77Å; N351-L354 PolarHBondContact O-N 2.89Å
352P43.5Very low43.3Very low100 Ų100114.9 Ų114.965%0.64965%0.65SS**THydrogen-bonded Turntrans-61.4-22.4-165.6-28.136.6000116.5L354 V355P352-L354 PolarHBondContact O-N 2.9Å; P352-V355 PolarHBondContact O-N 2.73Å
353G40.4Very low45.2Very low45 Ų45114.4 Ų114.446%0.46464%0.637SS.*Hα-helixtrans-63.4-24.5-178.200000114.9N351 L357N351-G353 PolarHBondContact O-N 2.77Å; G353-L357 PolarHBondContact O-N 3.43Å
354L36.7Very low46.9Very low134 Ų134113.8 Ų113.870%0.70263%0.629SS**Hα-helixtrans-75.1-28.5-178.5-143.478.3000112.8N351 P352 L357 Q358N351-L354 PolarHBondContact O-N 2.89Å; P352-L354 PolarHBondContact O-N 2.9Å; L354-L357 PolarHBondContact O-N 2.84Å; L354-Q358 PolarHBondContact O-N 3.41Å
355V47.2Very low48.5Very low94 Ų94109.7 Ų109.757%0.5761%0.611SS**Hα-helixtrans-66.1-43.4175.9-179.20000110P352 L357 Q358 T359P352-V355 PolarHBondContact O-N 2.73Å; V355-L357 VanDerWaalsContact C-N 3.27Å; V355-L357 PolarHBondContact O-N 3.33Å; V355-Q358 PolarHBondContact O-N 3.46Å; V355-Q358 VanDerWaalsContact O-N 3.14Å; V355-T359 PolarHBondContact O-N 3.41Å; V355-T359 PolarHBondContact O-OG1 3.34Å
356N50.9Low50.6Low121 Ų121106.9 Ų106.965%0.64760%0.6SS**Hα-helixtrans-62.3-33.3176.2-72.611.8000112.6L360N356-L360 WeakPolarHBondContact O-CB 3.5Å; N356-L360 PolarHBondContact O-N 3.09Å
357L40.8Very low52.6Low108 Ų108107.5 Ų107.557%0.56559%0.592SS**Hα-helixtrans-72.6-36.5174.2-78.1170.2000112.4G353 L354 V355 N361G353-L357 PolarHBondContact O-N 3.43Å; L354-L357 PolarHBondContact O-N 2.84Å; V355-L357 VanDerWaalsContact C-N 3.27Å; V355-L357 PolarHBondContact O-N 3.33Å; L357-N361 WeakPolarHBondContact O-CB 3.48Å; L357-N361 PolarHBondContact O-N 2.84Å
358Q54.1Low54.5Low114 Ų114106.3 Ų106.353%0.53359%0.585SS.*Hα-helixtrans-63.9-50.9172.9-16766.753.900110.5L354 V355 L360 N361 D362L354-Q358 PolarHBondContact O-N 3.41Å; V355-Q358 PolarHBondContact O-N 3.46Å; V355-Q358 VanDerWaalsContact O-N 3.14Å; Q358-L360 PolarHBondContact O-N 2.79Å; Q358-N361 PolarHBondContact O-N 3.49Å; Q358-N361 VanDerWaalsContact O-N 3.13Å; Q358-D362 PolarHBondContact NE2-OD1 2.89Å; Q358-D362 WeakPolarHBondContact O-CB 3.42Å; Q358-D362 PolarHBondContact O-N 3.44Å
359T64.3Low56.6Low75 Ų75103.1 Ų103.146%0.4657%0.568SS.*Hα-helixtrans-61.1-42.1177.4-52.10000112.2V355 N361 D362 E363V355-T359 PolarHBondContact O-N 3.41Å; V355-T359 PolarHBondContact O-OG1 3.34Å; T359-N361 VanDerWaalsContact C-N 3.32Å; T359-N361 PolarHBondContact O-N 2.67Å; T359-D362 PolarHBondContact O-N 3.16Å; T359-E363 VanDerWaalsContact O-CB 3.22Å; T359-E363 WeakPolarHBondContact O-CB 3.01Å; T359-E363 PolarHBondContact O-N 2.94Å
360L66.6Low58.4Low96 Ų9699.1 Ų99.150%0.50355%0.549SS..Hα-helixtrans-64.2-36.5175.3-176.565.5000112.2N356 Q358 L364N356-L360 WeakPolarHBondContact O-CB 3.5Å; N356-L360 PolarHBondContact O-N 3.09Å; Q358-L360 PolarHBondContact O-N 2.79Å; L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.73Å
361N66.5Low60.4Low87 Ų8795.3 Ų95.347%0.46553%0.525SS..Hα-helixtrans-70.3-41175.6-178.290.6000111.9L357 Q358 T359 T365L357-N361 WeakPolarHBondContact O-CB 3.48Å; L357-N361 PolarHBondContact O-N 2.84Å; Q358-N361 PolarHBondContact O-N 3.49Å; Q358-N361 VanDerWaalsContact O-N 3.13Å; T359-N361 VanDerWaalsContact C-N 3.32Å; T359-N361 PolarHBondContact O-N 2.67Å; N361-T365 VanDerWaalsContact O-CB 3.29Å; N361-T365 WeakPolarHBondContact O-CB 3.28Å; N361-T365 PolarHBondContact O-N 2.77Å; N361-T365 PolarHBondContact O-OG1 2.92Å
362D70.4Confident62.5Low76 Ų7694.8 Ų94.841%0.40652%0.516SS..Hα-helixtrans-68.6-36.2177.5-58.3-17.6000110.7Q358 T359 T365 T366Q358-D362 PolarHBondContact NE2-OD1 2.89Å; Q358-D362 WeakPolarHBondContact O-CB 3.42Å; Q358-D362 PolarHBondContact O-N 3.44Å; T359-D362 PolarHBondContact O-N 3.16Å; D362-T365 PolarHBondContact O-N 3.49Å; D362-T366 WeakPolarHBondContact O-CB 3.5Å; D362-T366 PolarHBondContact O-N 3.47Å; D362-T366 PolarHBondContact O-OG1 3.33Å
363E73.2Confident64.1Low111 Ų11195.3 Ų95.352%0.51951%0.513SS..Hα-helixtrans-73.8-39.1175.3-168.2158.5-161.500112.3T359 T365 T366 Q367T359-E363 VanDerWaalsContact O-CB 3.22Å; T359-E363 WeakPolarHBondContact O-CB 3.01Å; T359-E363 PolarHBondContact O-N 2.94Å; E363-T365 VanDerWaalsContact C-N 3.34Å; E363-T366 PolarHBondContact O-N 2.97Å; E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.45Å
364L68.8Low65.8Low99 Ų9998.5 Ų98.552%0.51851%0.514SS..Hα-helixtrans-62-39.8167.3-81.4166.9000111.9L360 T366 Q367 L368L360-L364 HydrophobicContact CG-CD1 4.19Å; L360-L364 VanDerWaalsContact O-CB 3.25Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.27Å; L360-L364 WeakPolarHBondContact O-CG 3.49Å; L360-L364 PolarHBondContact O-N 2.73Å; L364-T366 VanDerWaalsContact C-N 3.3Å; L364-T366 PolarHBondContact O-N 3.19Å; L364-Q367 PolarHBondContact O-N 3.48Å; L364-L368 VanDerWaalsContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CB 3.17Å; L364-L368 PolarHBondContact O-N 3.19Å
365T71.1Confident67.3Low60 Ų6096.3 Ų96.337%0.36850%0.502SS..Hα-helixtrans-65.7-36.4175.7-58.50000110.8N361 D362 E363 L368 N369N361-T365 VanDerWaalsContact O-CB 3.29Å; N361-T365 WeakPolarHBondContact O-CB 3.28Å; N361-T365 PolarHBondContact O-N 2.77Å; N361-T365 PolarHBondContact O-OG1 2.92Å; D362-T365 PolarHBondContact O-N 3.49Å; E363-T365 VanDerWaalsContact C-N 3.34Å; T365-L368 PolarHBondContact O-N 2.72Å; T365-N369 WeakPolarHBondContact O-CB 3.5Å; T365-N369 VanDerWaalsContact O-CG 3.24Å; T365-N369 PolarHBondContact O-N 2.8Å; T365-N369 PolarHBondContact O-ND2 2.76Å
366T76.6Confident68.5Low80 Ų8095.7 Ų95.749%0.49149%0.493SS..Hα-helixtrans-68.1-46.3175.5-56.30000111.3D362 E363 L364 L368 N369 E370D362-T366 WeakPolarHBondContact O-CB 3.5Å; D362-T366 PolarHBondContact O-N 3.47Å; D362-T366 PolarHBondContact O-OG1 3.33Å; E363-T366 PolarHBondContact O-N 2.97Å; L364-T366 VanDerWaalsContact C-N 3.3Å; L364-T366 PolarHBondContact O-N 3.19Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.32Å; T366-N369 PolarHBondContact O-N 3.36Å; T366-E370 PolarHBondContact O-N 2.98Å
367Q72.8Confident69.5Low110 Ų11095.4 Ų95.451%0.51449%0.488SS..Hα-helixtrans-64.5-35.1175-70.2-179.521.300112.5E363 L364 S371E363-Q367 WeakPolarHBondContact O-CG 3.47Å; E363-Q367 PolarHBondContact O-N 3.45Å; L364-Q367 PolarHBondContact O-N 3.48Å; Q367-S371 VanDerWaalsContact O-CB 3.28Å; Q367-S371 WeakPolarHBondContact O-CB 3.45Å; Q367-S371 PolarHBondContact O-N 2.85Å; Q367-S371 PolarHBondContact O-OG 2.76Å
368L72.3Confident70.6Confident119 Ų11995 Ų9562%0.62349%0.485SS*.Hα-helixtrans-66.4-43.2174-173.369.2000111.4L364 T365 T366 S371 K372L364-L368 VanDerWaalsContact O-CB 3.22Å; L364-L368 WeakPolarHBondContact O-CB 3.17Å; L364-L368 PolarHBondContact O-N 3.19Å; T365-L368 PolarHBondContact O-N 2.72Å; T366-L368 VanDerWaalsContact C-N 3.33Å; T366-L368 PolarHBondContact O-N 3.32Å; L368-S371 PolarHBondContact O-N 3.27Å; L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.41Å
369N74.9Confident71.1Confident88 Ų8894.2 Ų94.247%0.47148%0.482SS..Hα-helixtrans-68.1-40.4176.5-74-23.3000112.3T365 T366 S371 K372 L373T365-N369 WeakPolarHBondContact O-CB 3.5Å; T365-N369 VanDerWaalsContact O-CG 3.24Å; T365-N369 PolarHBondContact O-N 2.8Å; T365-N369 PolarHBondContact O-ND2 2.76Å; T366-N369 PolarHBondContact O-N 3.36Å; N369-S371 VanDerWaalsContact C-N 3.32Å; N369-S371 PolarHBondContact O-N 3.28Å; N369-K372 PolarHBondContact O-N 2.8Å; N369-L373 WeakPolarHBondContact O-CG 3.02Å; N369-L373 PolarHBondContact O-N 2.96Å
370E76.7Confident71.5Confident101 Ų10193.9 Ų93.947%0.47248%0.482SS..Hα-helixtrans-60.3-42.3170.5-87.6-160.6-157.500112T366 L373 K374T366-E370 PolarHBondContact O-N 2.98Å; E370-L373 PolarHBondContact O-N 3.08Å; E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.23Å; E370-K374 WeakPolarHBondContact O-CG 3.25Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.45Å
371S68.6Low71.8Confident57 Ų5792.5 Ų92.540%0.39948%0.476SS..Hα-helixtrans-67.3-38.9178.3-58.10000111Q367 L368 N369 K374 I375Q367-S371 VanDerWaalsContact O-CB 3.28Å; Q367-S371 WeakPolarHBondContact O-CB 3.45Å; Q367-S371 PolarHBondContact O-N 2.85Å; Q367-S371 PolarHBondContact O-OG 2.76Å; L368-S371 PolarHBondContact O-N 3.27Å; N369-S371 VanDerWaalsContact C-N 3.32Å; N369-S371 PolarHBondContact O-N 3.28Å; S371-K374 PolarHBondContact O-N 3.49Å; S371-I375 VanDerWaalsContact O-CG1 3.31Å; S371-I375 WeakPolarHBondContact O-CG1 3.41Å; S371-I375 PolarHBondContact O-N 3.3Å
372K76.7Confident71.4Confident115 Ų11592.7 Ų92.750%0.547%0.474SS..Hα-helixtrans-65.3-42.6174.8-169.9171.4-172.3-88.40112.2L368 N369 K374 I375 E376L368-K372 WeakPolarHBondContact O-CB 3.39Å; L368-K372 PolarHBondContact O-N 3.41Å; N369-K372 PolarHBondContact O-N 2.8Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 3.07Å; K372-I375 PolarHBondContact O-N 3.31Å; K372-E376 IonicContact NZ-OE1 3.85Å; K372-E376 PolarHBondContact NZ-OE1 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.28Å; K372-E376 PolarHBondContact O-N 2.66Å
373L76.7Confident71.5Confident112 Ų11293.5 Ų93.559%0.58648%0.477SS*.Hα-helixtrans-65.3-34.2174.3-75.1168.2000112.4N369 E370 H377N369-L373 WeakPolarHBondContact O-CG 3.02Å; N369-L373 PolarHBondContact O-N 2.96Å; E370-L373 PolarHBondContact O-N 3.08Å; L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 2.86Å
374K76.3Confident71.3Confident111 Ų11192.8 Ų92.848%0.48347%0.474SS..Hα-helixtrans-66.8-38.6171.7-71.3160.1-165.9161.20111.3E370 S371 K372 L378E370-K374 WeakPolarHBondContact O-CB 3.4Å; E370-K374 WeakPolarHBondContact O-CD 3.47Å; E370-K374 VanDerWaalsContact O-CG 3.23Å; E370-K374 WeakPolarHBondContact O-CG 3.25Å; E370-K374 PolarHBondContact O-N 3.39Å; E370-K374 IonicContact OE2-NZ 2.65Å; E370-K374 PolarHBondContact OE2-NZ 3.45Å; S371-K374 PolarHBondContact O-N 3.49Å; K372-K374 VanDerWaalsContact C-N 3.32Å; K372-K374 PolarHBondContact O-N 3.07Å; K374-L378 WeakPolarHBondContact O-CB 3.47Å; K374-L378 WeakPolarHBondContact O-CD1 3.22Å; K374-L378 VanDerWaalsContact O-CG 3.23Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.3Å
375I67.8Low70.5Confident88 Ų8893.2 Ų93.245%0.45147%0.473SS..Hα-helixtrans-66-51.8173.7-69.8163.3000110.8S371 K372 H377 L378 E379S371-I375 VanDerWaalsContact O-CG1 3.31Å; S371-I375 WeakPolarHBondContact O-CG1 3.41Å; S371-I375 PolarHBondContact O-N 3.3Å; K372-I375 PolarHBondContact O-N 3.31Å; I375-H377 PolarHBondContact O-N 3.32Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CA 3.24Å; I375-L378 PolarHBondContact O-N 2.77Å; I375-E379 HydrophobicContact CG2-CG 4.14Å; I375-E379 WeakPolarHBondContact CG2-OE1 3.12Å; I375-E379 WeakPolarHBondContact O-CG 3.23Å; I375-E379 PolarHBondContact O-N 2.77Å
376E71.4Confident70.3Confident81 Ų8195 Ų9538%0.37948%0.48SS..Hα-helixtrans-58.9-34.6178.3-73.1173.318000112.2K372 S380K372-E376 IonicContact NZ-OE1 3.85Å; K372-E376 PolarHBondContact NZ-OE1 3.45Å; K372-E376 WeakPolarHBondContact O-CG 3.28Å; K372-E376 PolarHBondContact O-N 2.66Å; E376-S380 VanDerWaalsContact O-CB 3.29Å; E376-S380 WeakPolarHBondContact O-CB 3.21Å; E376-S380 PolarHBondContact O-N 2.9Å
377H73.1Confident70.1Confident115 Ų11596.5 Ų96.553%0.53248%0.48SS..Hα-helixtrans-70.6-39.7172.6-176.945.4000112.8L373 I375 S380 N381L373-H377 WeakPolarHBondContact O-CB 3.27Å; L373-H377 PolarHBondContact O-N 2.86Å; I375-H377 PolarHBondContact O-N 3.32Å; H377-S380 PolarHBondContact O-N 3.17Å; H377-N381 PolarHBondContact CE1-ND2 2.74Å; H377-N381 VanDerWaalsContact CE1-ND2 3.3Å; H377-N381 PolarHBondContact CE1-OD1 3.35Å; H377-N381 PolarHBondContact NE2-ND2 3.48Å; H377-N381 WeakPolarHBondContact O-CB 3.5Å; H377-N381 PolarHBondContact O-N 3.2Å; H377-N381 PolarHBondContact O-ND2 2.88Å
378L62.6Low70Confident99 Ų9996.9 Ų96.952%0.51848%0.481SS..Hα-helixtrans-67-41.4174.9-73.6167000111.9K374 I375 N381 Q382K374-L378 WeakPolarHBondContact O-CB 3.47Å; K374-L378 WeakPolarHBondContact O-CD1 3.22Å; K374-L378 VanDerWaalsContact O-CG 3.23Å; K374-L378 WeakPolarHBondContact O-CG 3.45Å; K374-L378 PolarHBondContact O-N 3.3Å; I375-L378 CarbonylContact O-C 3.57Å; I375-L378 WeakPolarHBondContact O-CA 3.24Å; I375-L378 PolarHBondContact O-N 2.77Å; L378-N381 PolarHBondContact O-N 3.04Å; L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 2.8Å
379E65.6Low69.7Low98 Ų9895.1 Ų95.146%0.45847%0.472SS..Hα-helixtrans-61.7-43.3173.8-71.7172.1167.700111.1I375 N381 Q382 I383I375-E379 HydrophobicContact CG2-CG 4.14Å; I375-E379 WeakPolarHBondContact CG2-OE1 3.12Å; I375-E379 WeakPolarHBondContact O-CG 3.23Å; I375-E379 PolarHBondContact O-N 2.77Å; E379-N381 PolarHBondContact O-N 2.97Å; E379-Q382 PolarHBondContact O-N 2.98Å; E379-I383 WeakPolarHBondContact O-CG1 2.87Å; E379-I383 PolarHBondContact O-N 2.91Å
380S73.1Confident69.2Low68 Ų6895.5 Ų95.548%0.47647%0.474SS..Hα-helixtrans-62.2-42.2174.3-167.90000112.1E376 H377 I383 E384E376-S380 VanDerWaalsContact O-CB 3.29Å; E376-S380 WeakPolarHBondContact O-CB 3.21Å; E376-S380 PolarHBondContact O-N 2.9Å; H377-S380 PolarHBondContact O-N 3.17Å; S380-I383 PolarHBondContact O-N 3.44Å; S380-E384 PolarHBondContact O-N 3.28Å
381N72.5Confident69Low67 Ų6795.9 Ų95.936%0.35848%0.475SS..Hα-helixtrans-66.1-36.1174.4-66.6-24.9000112.1H377 L378 E379 E384 Q385H377-N381 PolarHBondContact CE1-ND2 2.74Å; H377-N381 VanDerWaalsContact CE1-ND2 3.3Å; H377-N381 PolarHBondContact CE1-OD1 3.35Å; H377-N381 PolarHBondContact NE2-ND2 3.48Å; H377-N381 WeakPolarHBondContact O-CB 3.5Å; H377-N381 PolarHBondContact O-N 3.2Å; H377-N381 PolarHBondContact O-ND2 2.88Å; L378-N381 PolarHBondContact O-N 3.04Å; E379-N381 PolarHBondContact O-N 2.97Å; N381-E384 PolarHBondContact O-N 3.39Å; N381-Q385 WeakPolarHBondContact O-CB 3.39Å; N381-Q385 WeakPolarHBondContact O-CG 3.38Å; N381-Q385 PolarHBondContact O-N 3.15Å
382Q58.8Low68.8Low91 Ų9198.1 Ų98.143%0.42548%0.482SS..Hα-helixtrans-67-40.2173.8-76.7-177-46.200112L378 E379 E384 Q385 L386L378-Q382 WeakPolarHBondContact O-CG 3.36Å; L378-Q382 PolarHBondContact O-N 2.8Å; E379-Q382 PolarHBondContact O-N 2.98Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 3.15Å; Q382-Q385 PolarHBondContact O-N 2.82Å; Q382-L386 WeakPolarHBondContact O-CG 3.17Å; Q382-L386 PolarHBondContact O-N 2.79Å
383I71Confident68.4Low94 Ų9498.5 Ų98.548%0.48249%0.486SS..Hα-helixtrans-63.3-39173.9-71.6165.1000110.9E379 S380 L386 K387E379-I383 WeakPolarHBondContact O-CG1 2.87Å; E379-I383 PolarHBondContact O-N 2.91Å; S380-I383 PolarHBondContact O-N 3.44Å; I383-L386 PolarHBondContact O-N 3.43Å; I383-K387 WeakPolarHBondContact O-CG 3.21Å; I383-K387 PolarHBondContact O-N 2.93Å; I383-K387 VanDerWaalsContact O-N 3.14Å
384E69.3Low68.1Low96 Ų9697 Ų9745%0.44949%0.485SS..Hα-helixtrans-70-34.3176.2-155.269.5178.800112.5S380 N381 Q382 K387 Q388S380-E384 PolarHBondContact O-N 3.28Å; N381-E384 PolarHBondContact O-N 3.39Å; Q382-E384 VanDerWaalsContact C-N 3.32Å; Q382-E384 PolarHBondContact O-N 3.15Å; E384-K387 IonicContact OE2-NZ 2.69Å; E384-K387 PolarHBondContact OE2-NZ 3.43Å; E384-Q388 WeakPolarHBondContact O-CG 3.08Å; E384-Q388 PolarHBondContact O-N 3.4Å
385Q52.8Low67.8Low108 Ų10894.1 Ų94.151%0.50547%0.473SS..Hα-helixtrans-69.4-39.1172.3-75.8175.8-22.100112.6N381 Q382 Q388 I389N381-Q385 WeakPolarHBondContact O-CB 3.39Å; N381-Q385 WeakPolarHBondContact O-CG 3.38Å; N381-Q385 PolarHBondContact O-N 3.15Å; Q382-Q385 PolarHBondContact O-N 2.82Å; Q385-Q388 WeakPolarHBondContact O-CB 3.38Å; Q385-Q388 PolarHBondContact O-N 3.47Å; Q385-Q388 VanDerWaalsContact O-N 3.12Å; Q385-I389 WeakPolarHBondContact O-CG1 3.45Å; Q385-I389 PolarHBondContact O-N 2.76Å
386L67.1Low67.9Low97 Ų9795.2 Ų95.251%0.50848%0.479SS..Hα-helixtrans-61.2-44.5174.5-76167.3000111.3Q382 I383 Q388 I389 D390Q382-L386 WeakPolarHBondContact O-CG 3.17Å; Q382-L386 PolarHBondContact O-N 2.79Å; I383-L386 PolarHBondContact O-N 3.43Å; L386-Q388 PolarHBondContact O-N 2.92Å; L386-I389 CarbonylContact O-C 3.58Å; L386-I389 WeakPolarHBondContact O-CA 3.3Å; L386-I389 WeakPolarHBondContact O-CB 3.21Å; L386-I389 PolarHBondContact O-N 3.48Å; L386-D390 VanDerWaalsContact O-CG 3.24Å; L386-D390 PolarHBondContact O-N 2.83Å
387K71.9Confident67.8Low111 Ų11196.5 Ų96.548%0.48349%0.485SS..Hα-helixtrans-58.8-32.6173-66.4170.6-161.2161.20113.5I383 E384 H391I383-K387 WeakPolarHBondContact O-CG 3.21Å; I383-K387 PolarHBondContact O-N 2.93Å; I383-K387 VanDerWaalsContact O-N 3.14Å; E384-K387 IonicContact OE2-NZ 2.69Å; E384-K387 PolarHBondContact OE2-NZ 3.43Å; K387-H391 WeakPolarHBondContact O-CB 3.35Å; K387-H391 PolarHBondContact O-N 2.83Å
388Q69.9Low67.8Low118 Ų11894.1 Ų94.155%0.55148%0.482SS*.Hα-helixtrans-72.7-35.1175.8-70.9173.917.200111.3E384 Q385 L386 L392E384-Q388 WeakPolarHBondContact O-CG 3.08Å; E384-Q388 PolarHBondContact O-N 3.4Å; Q385-Q388 WeakPolarHBondContact O-CB 3.38Å; Q385-Q388 PolarHBondContact O-N 3.47Å; Q385-Q388 VanDerWaalsContact O-N 3.12Å; L386-Q388 PolarHBondContact O-N 2.92Å; Q388-L392 WeakPolarHBondContact O-CB 3.3Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.5Å; Q388-L392 PolarHBondContact O-N 2.91Å
389I66.4Low67.8Low82 Ų8292.8 Ų92.842%0.42147%0.47SS..Hα-helixtrans-66.5-50.3171.2-65.4166.3000110.2Q385 L386 H391 L392 E393Q385-I389 WeakPolarHBondContact O-CG1 3.45Å; Q385-I389 PolarHBondContact O-N 2.76Å; L386-I389 CarbonylContact O-C 3.58Å; L386-I389 WeakPolarHBondContact O-CA 3.3Å; L386-I389 WeakPolarHBondContact O-CB 3.21Å; L386-I389 PolarHBondContact O-N 3.48Å; I389-H391 PolarHBondContact O-N 2.9Å; I389-L392 CarbonylContact O-C 3.5Å; I389-L392 PolarHBondContact O-N 3.33Å; I389-E393 HydrophobicContact CG2-CG 4.31Å; I389-E393 PolarHBondContact O-N 3.1Å
390D65.1Low68Low97 Ų9792.9 Ų92.952%0.51947%0.47SS..Hα-helixtrans-53.7-40.2175.9-60.3-23.2000111.7L386 S394L386-D390 VanDerWaalsContact O-CG 3.24Å; L386-D390 PolarHBondContact O-N 2.83Å; D390-S394 WeakPolarHBondContact O-CB 3.5Å; D390-S394 PolarHBondContact O-N 2.87Å
391H72.6Confident67.8Low108 Ų10893 Ų9350%0.547%0.466SS..Hα-helixtrans-68.8-41.3176.5-174.713.2000112.5K387 I389 S394 E395K387-H391 WeakPolarHBondContact O-CB 3.35Å; K387-H391 PolarHBondContact O-N 2.83Å; I389-H391 PolarHBondContact O-N 2.9Å; H391-S394 WeakPolarHBondContact O-CB 3.43Å; H391-S394 PolarHBondContact O-N 2.89Å; H391-E395 IonicContact CE1-OE1 2.6Å; H391-E395 PolarHBondContact O-N 2.77Å
392L64.7Low67.5Low104 Ų10492.1 Ų92.155%0.54546%0.461SS..Hα-helixtrans-70.2-35.6177.4-73.8168.8000112.5Q388 I389 S394 E395 L396Q388-L392 WeakPolarHBondContact O-CB 3.3Å; Q388-L392 VanDerWaalsContact O-CG 3.25Å; Q388-L392 WeakPolarHBondContact O-CG 3.5Å; Q388-L392 PolarHBondContact O-N 2.91Å; I389-L392 CarbonylContact O-C 3.5Å; I389-L392 PolarHBondContact O-N 3.33Å; L392-S394 VanDerWaalsContact C-N 3.34Å; L392-E395 PolarHBondContact O-N 3.28Å; L392-L396 WeakPolarHBondContact O-CB 3.17Å; L392-L396 PolarHBondContact O-N 2.85Å
393E67.1Low68Low123 Ų12394.1 Ų94.158%0.57547%0.47SS*.Hα-helixtrans-65.4-39171.4-71.2-171177.800111.1I389 L396 H397I389-E393 HydrophobicContact CG2-CG 4.31Å; I389-E393 PolarHBondContact O-N 3.1Å; E393-L396 PolarHBondContact O-N 3.42Å; E393-H397 WeakPolarHBondContact O-CB 3.14Å; E393-H397 PolarHBondContact O-N 2.76Å
394S71.4Confident67.8Low82 Ų8295.5 Ų95.557%0.57347%0.474SS*.Hα-helixtrans-64.5-42.9172.9-172.90000112.8D390 H391 L392 H397 S398D390-S394 WeakPolarHBondContact O-CB 3.5Å; D390-S394 PolarHBondContact O-N 2.87Å; H391-S394 WeakPolarHBondContact O-CB 3.43Å; H391-S394 PolarHBondContact O-N 2.89Å; L392-S394 VanDerWaalsContact C-N 3.34Å; S394-H397 PolarHBondContact O-N 3.21Å; S394-S398 PolarHBondContact O-N 3.45Å; S394-S398 VanDerWaalsContact O-N 3.08Å
395E69.8Low67.8Low50 Ų5096.8 Ų96.823%0.23448%0.48CS..Hα-helixtrans-65.3-41.1172.3-68.4-154.7146.700111.6H391 L392 H397 S398 Y399 K539H391-E395 IonicContact CE1-OE1 2.6Å; H391-E395 PolarHBondContact O-N 2.77Å; L392-E395 PolarHBondContact O-N 3.28Å; E395-H397 PolarHBondContact O-N 2.83Å; E395-S398 WeakPolarHBondContact O-CB 3.37Å; E395-S398 PolarHBondContact O-N 3.5Å; E395-Y399 HydrophobicContact CB-CE2 4.32Å; E395-Y399 WeakPolarHBondContact O-CD2 3.25Å; E395-Y399 PolarHBondContact O-N 2.87Å; E395-K539 VanDerWaalsContact CD-NZ 3.29Å; E395-K539 IonicContact OE1-NZ 3.58Å; E395-K539 PolarHBondContact OE1-NZ 2.8Å; E395-K539 IonicContact OE2-NZ 2.69Å; E395-K539 PolarHBondContact OE2-NZ 3.47Å; E395-K539 VanDerWaalsContact OE2-NZ 3.16Å
396L69.7Low68.7Low110 Ų11095.5 Ų95.558%0.57648%0.477SS*.Hα-helixtrans-60.7-41.1175-92.4167000113L392 E393 S398 Y399 Q400L392-L396 WeakPolarHBondContact O-CB 3.17Å; L392-L396 PolarHBondContact O-N 2.85Å; E393-L396 PolarHBondContact O-N 3.42Å; L396-S398 VanDerWaalsContact C-N 3.34Å; L396-Y399 PolarHBondContact O-N 3.48Å; L396-Q400 PolarHBondContact O-N 3.41Å
397H69.8Low68.9Low109 Ų10995 Ų9551%0.50547%0.472SS..Hα-helixtrans-69-35.2177.8-16250.9000111.6E393 S394 E395 Q400 N401E393-H397 WeakPolarHBondContact O-CB 3.14Å; E393-H397 PolarHBondContact O-N 2.76Å; S394-H397 PolarHBondContact O-N 3.21Å; E395-H397 PolarHBondContact O-N 2.83Å; H397-Q400 PolarHBondContact O-N 2.82Å; H397-N401 PolarHBondContact O-N 2.8Å
398S72.7Confident68.7Low65 Ų6596.2 Ų96.246%0.45548%0.479SS..Hα-helixtrans-60-46168.9-170.90000111.9S394 E395 L396 Q400 N401 I402S394-S398 PolarHBondContact O-N 3.45Å; S394-S398 VanDerWaalsContact O-N 3.08Å; E395-S398 WeakPolarHBondContact O-CB 3.37Å; E395-S398 PolarHBondContact O-N 3.5Å; L396-S398 VanDerWaalsContact C-N 3.34Å; S398-Q400 PolarHBondContact O-N 2.75Å; S398-N401 PolarHBondContact O-N 2.78Å; S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.42Å
399Y61.6Low68.8Low71 Ų7194.6 Ų94.628%0.27847%0.474SS..Hα-helixtrans-63.4-36.2174.8-71.4-62.9000113.1E395 L396 I402 Q403E395-Y399 HydrophobicContact CB-CE2 4.32Å; E395-Y399 WeakPolarHBondContact O-CD2 3.25Å; E395-Y399 PolarHBondContact O-N 2.87Å; L396-Y399 PolarHBondContact O-N 3.48Å; Y399-I402 PolarHBondContact O-N 3.25Å; Y399-Q403 WeakPolarHBondContact O-CB 3.29Å; Y399-Q403 PolarHBondContact O-N 2.89Å
400Q69.8Low69.2Low99 Ų9996.5 Ų96.546%0.46348%0.479SS..Hα-helixtrans-63-43173.5-77.7-174.6-17.200112.2L396 H397 S398 Q403 Q404L396-Q400 PolarHBondContact O-N 3.41Å; H397-Q400 PolarHBondContact O-N 2.82Å; S398-Q400 PolarHBondContact O-N 2.75Å; Q400-Q403 WeakPolarHBondContact O-CB 3.4Å; Q400-Q403 PolarHBondContact O-N 2.97Å; Q400-Q404 WeakPolarHBondContact O-CG 3.14Å; Q400-Q404 PolarHBondContact O-N 3.33Å
401N70.6Confident69.5Low71 Ų7196.3 Ų96.338%0.3848%0.477SS..Hα-helixtrans-64.1-44.1176.6-70.4-10.1000111.1H397 S398 Q403 Q404 E405H397-N401 PolarHBondContact O-N 2.8Å; S398-N401 PolarHBondContact O-N 2.78Å; N401-Q403 VanDerWaalsContact C-N 3.26Å; N401-Q403 PolarHBondContact O-N 3.35Å; N401-Q404 PolarHBondContact O-N 3.46Å; N401-Q404 VanDerWaalsContact O-N 3.14Å; N401-E405 WeakPolarHBondContact O-CG 3.45Å; N401-E405 PolarHBondContact O-N 3.24Å
402I66Low69.5Low49 Ų4997.9 Ų97.925%0.25148%0.479SS..Hα-helixtrans-61.4-34.2174.5-66.3166000111.5S398 Y399 N406S398-I402 WeakPolarHBondContact O-CG1 3.38Å; S398-I402 PolarHBondContact O-N 3.42Å; Y399-I402 PolarHBondContact O-N 3.25Å; I402-N406 WeakPolarHBondContact O-CB 3.31Å; I402-N406 PolarHBondContact O-N 3.2Å; I402-N406 PolarHBondContact O-ND2 3.11Å
403Q69.4Low69.5Low133 Ų13399.9 Ų99.962%0.62148%0.481SS*.Hα-helixtrans-69-40.8174.4-172176.80.800112.1Y399 Q400 N401 N406 E407Y399-Q403 WeakPolarHBondContact O-CB 3.29Å; Y399-Q403 PolarHBondContact O-N 2.89Å; Q400-Q403 WeakPolarHBondContact O-CB 3.4Å; Q400-Q403 PolarHBondContact O-N 2.97Å; N401-Q403 VanDerWaalsContact C-N 3.26Å; N401-Q403 PolarHBondContact O-N 3.35Å; Q403-N406 PolarHBondContact O-N 3.06Å; Q403-E407 PolarHBondContact O-N 2.85Å
404Q65.5Low69.7Low122 Ų12299 Ų9957%0.5748%0.476SS*.Hα-helixtrans-64.7-42.9174.3-70.2-179.67.300111.8Q400 N401 N406 E407 H408Q400-Q404 WeakPolarHBondContact O-CG 3.14Å; Q400-Q404 PolarHBondContact O-N 3.33Å; N401-Q404 PolarHBondContact O-N 3.46Å; N401-Q404 VanDerWaalsContact O-N 3.14Å; Q404-N406 VanDerWaalsContact C-N 3.31Å; Q404-N406 PolarHBondContact O-N 3.47Å; Q404-E407 PolarHBondContact O-N 3.03Å; Q404-H408 WeakPolarHBondContact O-CB 3.25Å; Q404-H408 PolarHBondContact O-CD2 2.86Å; Q404-H408 PolarHBondContact O-N 2.98Å
405E70.3Confident69.6Low124 Ų12498.9 Ų98.958%0.57947%0.47SS*.Hα-helixtrans-58.7-41.3172.9-74-176.7169.900112N401 H408 L409N401-E405 WeakPolarHBondContact O-CG 3.45Å; N401-E405 PolarHBondContact O-N 3.24Å; E405-H408 PolarHBondContact O-N 3.34Å; E405-L409 WeakPolarHBondContact O-CB 3.23Å; E405-L409 PolarHBondContact O-N 3Å
406N71.7Confident69.5Low80 Ų8099.5 Ų99.543%0.42847%0.474SS..Hα-helixtrans-67.5-40.3177.6-88-79.2000113I402 Q403 Q404 L409 K410I402-N406 WeakPolarHBondContact O-CB 3.31Å; I402-N406 PolarHBondContact O-N 3.2Å; I402-N406 PolarHBondContact O-ND2 3.11Å; Q403-N406 PolarHBondContact O-N 3.06Å; Q404-N406 VanDerWaalsContact C-N 3.31Å; Q404-N406 PolarHBondContact O-N 3.47Å; N406-L409 PolarHBondContact O-N 3.08Å; N406-K410 VanDerWaalsContact O-CB 3.27Å; N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 PolarHBondContact O-N 3.5Å
407E70.6Confident69.4Low86 Ų8699.7 Ų99.740%0.40247%0.471SS..Hα-helixtrans-68.4-35.8172.2-73.6-62.7143.800111.8Q403 Q404 K410 I411Q403-E407 PolarHBondContact O-N 2.85Å; Q404-E407 PolarHBondContact O-N 3.03Å; E407-K410 PolarHBondContact O-N 2.89Å; E407-K410 IonicContact OE1-NZ 3.39Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.33Å; E407-K410 IonicContact OE2-NZ 3.1Å; E407-K410 PolarHBondContact OE2-NZ 3.04Å; E407-I411 WeakPolarHBondContact O-CB 3.28Å; E407-I411 VanDerWaalsContact O-CG1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.43Å; E407-I411 PolarHBondContact O-N 2.85Å
408H67.6Low69.4Low138 Ų13898.3 Ų98.364%0.63947%0.467SS*.Hα-helixtrans-61.8-42.9170.3-97.1-91.6000112.5Q404 E405 I411 Y412Q404-H408 WeakPolarHBondContact O-CB 3.25Å; Q404-H408 PolarHBondContact O-CD2 2.86Å; Q404-H408 PolarHBondContact O-N 2.98Å; E405-H408 PolarHBondContact O-N 3.34Å; H408-I411 PolarHBondContact O-N 2.87Å; H408-Y412 VanDerWaalsContact O-CB 3.29Å; H408-Y412 WeakPolarHBondContact O-CB 3.42Å; H408-Y412 PolarHBondContact O-N 3.17Å
409L71.6Confident69.1Low83 Ų83101.2 Ų101.244%0.43547%0.474SS..Hα-helixtrans-62.3-41.4173.4-92154.8000111.8E405 N406 Y412 Y413E405-L409 WeakPolarHBondContact O-CB 3.23Å; E405-L409 PolarHBondContact O-N 3Å; N406-L409 PolarHBondContact O-N 3.08Å; L409-Y412 WeakPolarHBondContact O-CB 3.28Å; L409-Y412 PolarHBondContact O-N 3.18Å; L409-Y413 HydrophobicContact CD2-CD2 4.49Å; L409-Y413 HydrophobicContact CD2-CE2 3.88Å; L409-Y413 WeakPolarHBondContact O-CD2 3.2Å; L409-Y413 PolarHBondContact O-N 3.46Å
410K74.9Confident69.1Low122 Ų122102.8 Ų102.853%0.5349%0.485SS..Hα-helixtrans-65.9-42176.6-180171.9157.4-132.60112N406 E407 Q414N406-K410 VanDerWaalsContact O-CB 3.27Å; N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 PolarHBondContact O-N 3.5Å; E407-K410 PolarHBondContact O-N 2.89Å; E407-K410 IonicContact OE1-NZ 3.39Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-K410 WeakPolarHBondContact OE2-CD 3.33Å; E407-K410 IonicContact OE2-NZ 3.1Å; E407-K410 PolarHBondContact OE2-NZ 3.04Å; K410-Q414 WeakPolarHBondContact O-CB 3.22Å; K410-Q414 PolarHBondContact O-N 3.19Å
411I73Confident68.8Low93 Ų93103.1 Ų103.148%0.47749%0.487SS..Hα-helixtrans-64.5-41.3171.4-69.9165.2000110.9E407 H408 Q414 N415E407-I411 WeakPolarHBondContact O-CB 3.28Å; E407-I411 VanDerWaalsContact O-CG1 3.26Å; E407-I411 WeakPolarHBondContact O-CG1 3.43Å; E407-I411 PolarHBondContact O-N 2.85Å; H408-I411 PolarHBondContact O-N 2.87Å; I411-Q414 PolarHBondContact O-N 3.5Å; I411-N415 WeakPolarHBondContact O-CB 3.22Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 2.86Å
412Y71.1Confident68.3Low141 Ų141106.3 Ų106.355%0.55350%0.497SS*.Hα-helixtrans-61.8-48.7175.7174.8-96.3000111.7H408 L409 N415 L416H408-Y412 VanDerWaalsContact O-CB 3.29Å; H408-Y412 WeakPolarHBondContact O-CB 3.42Å; H408-Y412 PolarHBondContact O-N 3.17Å; L409-Y412 WeakPolarHBondContact O-CB 3.28Å; L409-Y412 PolarHBondContact O-N 3.18Å; Y412-N415 PolarHBondContact O-N 2.72Å; Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 WeakPolarHBondContact O-CB 3.44Å; Y412-L416 PolarHBondContact O-N 2.83Å
413Y64.5Low67.7Low147 Ų147110.9 Ų110.958%0.57652%0.516SS*.Hα-helixtrans-65.5-37.5176.5-78.4-60.4000112.6L409 L416 F417L409-Y413 HydrophobicContact CD2-CD2 4.49Å; L409-Y413 HydrophobicContact CD2-CE2 3.88Å; L409-Y413 WeakPolarHBondContact O-CD2 3.2Å; L409-Y413 PolarHBondContact O-N 3.46Å; Y413-L416 HydrophobicContact CD1-CD2 4.44Å; Y413-L416 PolarHBondContact O-N 3Å; Y413-F417 VanDerWaalsContact O-CB 3.32Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.08Å
414Q71.3Confident66.6Low103 Ų103110.8 Ų110.848%0.48151%0.513SS..Hα-helixtrans-64.9-40.4173.6-173.66162.200111.6K410 I411 F417 N418K410-Q414 WeakPolarHBondContact O-CB 3.22Å; K410-Q414 PolarHBondContact O-N 3.19Å; I411-Q414 PolarHBondContact O-N 3.5Å; Q414-F417 PolarHBondContact O-N 2.64Å; Q414-N418 PolarHBondContact NE2-OD1 3.28Å; Q414-N418 WeakPolarHBondContact O-CB 3.42Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 2.92Å
415N69.1Low66Low81 Ų81107.8 Ų107.843%0.43351%0.505SS..Hα-helixtrans-67.9-38.4174.4-85.4-39.4000112.6I411 Y412 N418 Q419I411-N415 WeakPolarHBondContact O-CB 3.22Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 2.86Å; Y412-N415 PolarHBondContact O-N 2.72Å; N415-N418 PolarHBondContact O-N 2.63Å; N415-Q419 WeakPolarHBondContact O-CB 3.49Å; N415-Q419 VanDerWaalsContact O-CG 3.3Å; N415-Q419 WeakPolarHBondContact O-CG 3.45Å; N415-Q419 PolarHBondContact O-N 2.79Å
416L68.9Low65Low63 Ų63105.3 Ų105.333%0.3350%0.496SS..Hα-helixtrans-65.2-41.9174.2-172.366.8000111Y412 Y413 Q419 I420Y412-L416 HydrophobicContact CE1-CD2 4.46Å; Y412-L416 WeakPolarHBondContact O-CB 3.44Å; Y412-L416 PolarHBondContact O-N 2.83Å; Y413-L416 HydrophobicContact CD1-CD2 4.44Å; Y413-L416 PolarHBondContact O-N 3Å; L416-Q419 PolarHBondContact O-N 3.19Å; L416-I420 HydrophobicContact CG-CD1 4.1Å; L416-I420 WeakPolarHBondContact O-CB 3.26Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.14Å; L416-I420 PolarHBondContact O-N 3.12Å
417F68.4Low63.6Low114 Ų114106.7 Ų106.750%0.550%0.502SS..Hα-helixtrans-61-46.6173.1-174.7-90.9000111.5Y413 Q414 Q419 I420 H421Y413-F417 VanDerWaalsContact O-CB 3.32Å; Y413-F417 WeakPolarHBondContact O-CB 3.37Å; Y413-F417 PolarHBondContact O-N 3.08Å; Q414-F417 PolarHBondContact O-N 2.64Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 3.13Å; F417-I420 PolarHBondContact O-N 2.89Å; F417-H421 WeakPolarHBondContact O-CB 3.49Å; F417-H421 PolarHBondContact O-N 3.15Å
418N69.6Low62.1Low80 Ų80111.1 Ų111.143%0.42852%0.521SS..Hα-helixtrans-61-41.3176.1-68.1-11.9000111.8Q414 N415 H421 K422Q414-N418 PolarHBondContact NE2-OD1 3.28Å; Q414-N418 WeakPolarHBondContact O-CB 3.42Å; Q414-N418 PolarHBondContact O-N 2.96Å; Q414-N418 PolarHBondContact O-ND2 2.95Å; Q414-N418 PolarHBondContact O-OD1 2.92Å; N415-N418 PolarHBondContact O-N 2.63Å; N418-H421 PolarHBondContact O-N 3.14Å; N418-K422 WeakPolarHBondContact O-CB 3.4Å; N418-K422 PolarHBondContact O-N 2.77Å
419Q66.5Low61.1Low126 Ų126109.7 Ų109.759%0.58952%0.518SS*.Hα-helixtrans-64.3-45.7174.9-76.5177.752.200111.9N415 L416 F417 H421 K422 F423N415-Q419 WeakPolarHBondContact O-CB 3.49Å; N415-Q419 VanDerWaalsContact O-CG 3.3Å; N415-Q419 WeakPolarHBondContact O-CG 3.45Å; N415-Q419 PolarHBondContact O-N 2.79Å; L416-Q419 PolarHBondContact O-N 3.19Å; F417-Q419 VanDerWaalsContact C-N 3.34Å; F417-Q419 PolarHBondContact O-N 3.13Å; Q419-H421 VanDerWaalsContact C-N 3.32Å; Q419-H421 PolarHBondContact O-N 3.48Å; Q419-K422 PolarHBondContact O-N 3.48Å; Q419-F423 WeakPolarHBondContact O-CB 3.38Å; Q419-F423 PolarHBondContact O-N 3.31Å
420I59.9Low59.5Low103 Ų103112.3 Ų112.353%0.52853%0.531SS..Hα-helixtrans-61.6-41.5175.4-70.2165.1000110.8L416 F417 K422 F423 K424L416-I420 HydrophobicContact CG-CD1 4.1Å; L416-I420 WeakPolarHBondContact O-CB 3.26Å; L416-I420 VanDerWaalsContact O-CG1 3.28Å; L416-I420 WeakPolarHBondContact O-CG1 3.14Å; L416-I420 PolarHBondContact O-N 3.12Å; F417-I420 PolarHBondContact O-N 2.89Å; I420-K422 VanDerWaalsContact C-N 3.33Å; I420-K422 PolarHBondContact O-N 3.31Å; I420-F423 PolarHBondContact O-N 3.47Å; I420-K424 VanDerWaalsContact O-CB 3.28Å; I420-K424 WeakPolarHBondContact O-CB 3.38Å; I420-K424 PolarHBondContact O-N 3.19Å
421H64Low57.4Low106 Ų106113.8 Ų113.849%0.49155%0.545SS..Hα-helixtrans-67.5-34.2178.6-148-71.8000112.2F417 N418 Q419 S425F417-H421 WeakPolarHBondContact O-CB 3.49Å; F417-H421 PolarHBondContact O-N 3.15Å; N418-H421 PolarHBondContact O-N 3.14Å; Q419-H421 VanDerWaalsContact C-N 3.32Å; Q419-H421 PolarHBondContact O-N 3.48Å; H421-S425 PolarHBondContact O-N 3.37Å; H421-S425 VanDerWaalsContact O-N 3.16Å
422K59.8Low55.6Low138 Ų138115 Ų11560%0.655%0.553SS**Hα-helixtrans-68.8-48.3171-175172.2-179.8178.60111.7N418 Q419 I420 K424 S425 D426N418-K422 WeakPolarHBondContact O-CB 3.4Å; N418-K422 PolarHBondContact O-N 2.77Å; Q419-K422 PolarHBondContact O-N 3.48Å; I420-K422 VanDerWaalsContact C-N 3.33Å; I420-K422 PolarHBondContact O-N 3.31Å; K422-K424 VanDerWaalsContact C-N 3.25Å; K422-K424 PolarHBondContact O-N 3.49Å; K422-S425 CarbonylContact O-C 3.54Å; K422-S425 WeakPolarHBondContact O-CA 3.16Å; K422-S425 VanDerWaalsContact O-CB 3.3Å; K422-S425 WeakPolarHBondContact O-CB 3.13Å; K422-S425 PolarHBondContact O-N 2.91Å; K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 PolarHBondContact O-N 2.95Å
423F53.4Low54.4Low146 Ų146116.7 Ų116.764%0.6456%0.563SS**Hα-helixtrans-58.2-38.5176.9-134.4-81.5000111.9Q419 I420 D426 I427Q419-F423 WeakPolarHBondContact O-CB 3.38Å; Q419-F423 PolarHBondContact O-N 3.31Å; I420-F423 PolarHBondContact O-N 3.47Å; F423-D426 PolarHBondContact O-N 3.46Å; F423-I427 HydrophobicContact CD1-CD1 3.76Å; F423-I427 HydrophobicContact CD1-CG1 4.2Å; F423-I427 HydrophobicContact CE1-CD1 4.18Å; F423-I427 WeakPolarHBondContact O-CB 3.3Å; F423-I427 VanDerWaalsContact O-CG1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.49Å; F423-I427 PolarHBondContact O-N 3.13Å
424K46.1Very low53.5Low131 Ų131117.7 Ų117.757%0.5757%0.57SS**Hα-helixtrans-62.9-40172.8-175.9-179178.1-174.50112.4I420 K422 F428I420-K424 VanDerWaalsContact O-CB 3.28Å; I420-K424 WeakPolarHBondContact O-CB 3.38Å; I420-K424 PolarHBondContact O-N 3.19Å; K422-K424 VanDerWaalsContact C-N 3.25Å; K422-K424 PolarHBondContact O-N 3.49Å; K424-F428 PolarHBondContact O-N 2.92Å
425S54.6Low51.8Low58 Ų58119.1 Ų119.141%0.40658%0.58SS.*Hα-helixtrans-68.2-44.2174.7-170.90000112H421 K422 F428 N429H421-S425 PolarHBondContact O-N 3.37Å; H421-S425 VanDerWaalsContact O-N 3.16Å; K422-S425 CarbonylContact O-C 3.54Å; K422-S425 WeakPolarHBondContact O-CA 3.16Å; K422-S425 VanDerWaalsContact O-CB 3.3Å; K422-S425 WeakPolarHBondContact O-CB 3.13Å; K422-S425 PolarHBondContact O-N 2.91Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.27Å; S425-F428 VanDerWaalsContact O-N 3.1Å; S425-N429 PolarHBondContact O-N 3.47Å; S425-N429 PolarHBondContact O-ND2 3.33Å
426D47.4Very low50.4Low73 Ų73121.8 Ų121.839%0.3959%0.593SS.*Hα-helixtrans-68.8-38.1-178.1-65.4-20000111.3K422 F423 F428 N429 L430K422-D426 WeakPolarHBondContact CG-OD2 3.43Å; K422-D426 PolarHBondContact O-N 2.95Å; F423-D426 PolarHBondContact O-N 3.46Å; D426-F428 VanDerWaalsContact C-N 3.33Å; D426-F428 PolarHBondContact O-N 2.75Å; D426-N429 PolarHBondContact O-N 3.49Å; D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 3.14Å; D426-L430 VanDerWaalsContact O-N 3.09Å
427I42.3Very low49.2Very low108 Ų108126.6 Ų126.655%0.55461%0.614SS**Hα-helixtrans-61.6-38.5168.5-73.3172.6000111.5F423 N429 L430F423-I427 HydrophobicContact CD1-CD1 3.76Å; F423-I427 HydrophobicContact CD1-CG1 4.2Å; F423-I427 HydrophobicContact CE1-CD1 4.18Å; F423-I427 WeakPolarHBondContact O-CB 3.3Å; F423-I427 VanDerWaalsContact O-CG1 3.29Å; F423-I427 WeakPolarHBondContact O-CG1 3.49Å; F423-I427 PolarHBondContact O-N 3.13Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.7Å; I427-L430 PolarHBondContact O-N 2.97Å
428F39.3Very low47.7Very low180 Ų180127.7 Ų127.779%0.78962%0.624SS**Hα-helixtrans-68.8-28.7177.5-126.3-93.3000113.2K424 S425 D426K424-F428 PolarHBondContact O-N 2.92Å; S425-F428 WeakPolarHBondContact O-CB 3.42Å; S425-F428 PolarHBondContact O-N 3.27Å; S425-F428 VanDerWaalsContact O-N 3.1Å; D426-F428 VanDerWaalsContact C-N 3.33Å; D426-F428 PolarHBondContact O-N 2.75Å
429N47.6Very low45.7Very low107 Ų107131.7 Ų131.757%0.57264%0.635SS**Hα-helixtrans-86.2-15.7177.9-72.2-49.9000113.8S425 D426 I427 N431S425-N429 PolarHBondContact O-N 3.47Å; S425-N429 PolarHBondContact O-ND2 3.33Å; D426-N429 PolarHBondContact O-N 3.49Å; I427-N429 VanDerWaalsContact C-N 3.31Å; I427-N429 PolarHBondContact O-N 2.7Å; N429-N431 VanDerWaalsContact C-N 3.26Å; N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 PolarHBondContact O-ND2 3.28Å
430L37.4Very low44.2Very low138 Ų138130.7 Ų130.772%0.72364%0.639SS**SBendtrans-7775.3178.8-83166.6000112.3D426 I427 N432D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 3.14Å; D426-L430 VanDerWaalsContact O-N 3.09Å; I427-L430 PolarHBondContact O-N 2.97Å; L430-N432 PolarHBondContact O-N 3.35Å
431N32.1Very low43.1Very low153 Ų153133 Ų13382%0.81865%0.651SS**  trans-23.5108.1170.7-85.1-84.5000115.4N429N429-N431 VanDerWaalsContact C-N 3.26Å; N429-N431 PolarHBondContact O-N 2.93Å; N429-N431 PolarHBondContact O-ND2 3.28Å
432N35.5Very low41.5Very low119 Ų119134.5 Ų134.564%0.63666%0.656SS**  trans-137.2101.7154.4-144.3-31.1000111.7L430 K434 L435L430-N432 PolarHBondContact O-N 3.35Å; N432-K434 PolarHBondContact O-N 3.4Å; N432-L435 PolarHBondContact O-N 2.82Å
433K45.5Very low40.1Very low177 Ų177135.1 Ų135.177%0.7767%0.666SS**THydrogen-bonded Turntrans-65.80.7-160.5-153.8170.9-176.5174.10115.8
434K44.2Very low39Very low167 Ų167135.3 Ų135.373%0.72667%0.674SS**THydrogen-bonded Turntrans-99.8-16.1-179.2-72.2-177.5172.8-179.10114.8N432N432-K434 PolarHBondContact O-N 3.4Å
435L36Very low38.3Very low133 Ų133134.1 Ų134.170%0.69668%0.682SS**SBendtrans-79.6-20.5176-92.1150.9000113N432 E437 L438N432-L435 PolarHBondContact O-N 2.82Å; L435-E437 VanDerWaalsContact C-N 3.26Å; L435-E437 PolarHBondContact O-N 3.34Å; L435-L438 PolarHBondContact O-N 2.83Å
436I39.5Very low37.2Very low137 Ų137137.2 Ų137.270%0.70369%0.692SS**G310 helixtrans-66.8-25.7-178.8-62.6172000112.1L438I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.05Å
437E44.3Very low36.6Very low164 Ų164142.1 Ų142.177%0.76672%0.718SS**G310 helixtrans-81.9-5.2-177.7-62.7-174.2142.200114L435L435-E437 VanDerWaalsContact C-N 3.26Å; L435-E437 PolarHBondContact O-N 3.34Å
438L36.8Very low36.2Very low137 Ų137141.3 Ų141.372%0.71772%0.722SS**G310 helixtrans-112.71.6-171.3-75174.3000115.8L435 I436L435-L438 PolarHBondContact O-N 2.83Å; I436-L438 VanDerWaalsContact C-N 3.32Å; I436-L438 PolarHBondContact O-N 3.05Å
439Y28.5Very low35.7Very low164 Ų164137.2 Ų137.264%0.64371%0.708SS**  trans-143.463.5-175.1-141.9-100.7000118.5F442Y439-F442 HydrophobicContact CE1-CB 4.17Å; Y439-F442 AromaticContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CG 4.4Å; Y439-F442 AromaticContact CZ-CD2 3.84Å; Y439-F442 VanDerWaalsContact OH-CD2 3.26Å; Y439-F442 WeakPolarHBondContact OH-CD2 3.39Å; Y439-F442 WeakPolarHBondContact OH-CE2 3.41Å
440P33.4Very low34.9Very low106 Ų106142.5 Ų142.569%0.68873%0.726SS**  trans-77.8125.9151.832.4-28.8000110.2
441I36.8Very low34.9Very low152 Ų152140.2 Ų140.278%0.77972%0.715SS**SBendtrans171.6-32148.1-92.2154.7000113.2
442F30.7Very low35.1Very low136 Ų136139.9 Ų139.960%0.59671%0.711SS**  trans-104.844.2-166-82.2-83.2000116.2Y439Y439-F442 HydrophobicContact CE1-CB 4.17Å; Y439-F442 AromaticContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CD2 3.76Å; Y439-F442 HydrophobicContact CE1-CG 4.4Å; Y439-F442 AromaticContact CZ-CD2 3.84Å; Y439-F442 VanDerWaalsContact OH-CD2 3.26Å; Y439-F442 WeakPolarHBondContact OH-CD2 3.39Å; Y439-F442 WeakPolarHBondContact OH-CE2 3.41Å
443N30Very low35.6Very low151 Ų151139.8 Ų139.881%0.80771%0.707SS**  trans-101.27.9-173.2-154.174000116.4
444D31.7Very low35.4Very low151 Ų151134.6 Ų134.681%0.80769%0.688SS**SBendtrans-135.9144.9173.9-74.2-69.3000110.2
445S31.7Very low35.2Very low106 Ų106132.8 Ų132.874%0.74169%0.685SS**  trans62.887.3179.1179.40000116.9
446M29.9Very low35.8Very low122 Ų122132.4 Ų132.460%0.60168%0.68SS**  trans-136.817170.4-107.7-62.5-173.100116.4S448 L449M446-S448 VanDerWaalsContact C-N 3.26Å; M446-S448 PolarHBondContact O-N 2.76Å; M446-L449 HydrophobicContact SD-CB 4.11Å
447N36.3Very low36.3Very low176 Ų176130.4 Ų130.494%0.94167%0.671SS**SBendtrans-82.413177.4-96.910.8000114.7
448S33.3Very low36.5Very low91 Ų91129 Ų12964%0.63666%0.663SS**SBendtrans-155.748.4-167.866.70000115M446M446-S448 VanDerWaalsContact C-N 3.26Å; M446-S448 PolarHBondContact O-N 2.76Å
449L28.9Very low37.4Very low95 Ų95128.6 Ų128.650%0.49766%0.655SS.*  trans-150.341.8-176.2-119.6156.2000117.1M446 N451M446-L449 HydrophobicContact SD-CB 4.11Å; L449-N451 HydrophobicContact CD2-CB 4Å; L449-N451 PolarHBondContact O-N 3.15Å
450F30.9Very low39.2Very low218 Ų218125.4 Ų125.496%0.95665%0.648SS**  trans-72.480.4158.6-110.3-81.7000109.7
451N37.4Very low40.2Very low90 Ų90126.1 Ų126.148%0.48164%0.641SS.*  trans-116.5136.4173.2-170.15.1000109.8L449 Q453 N454L449-N451 HydrophobicContact CD2-CB 4Å; L449-N451 PolarHBondContact O-N 3.15Å; N451-Q453 PolarHBondContact O-N 3.11Å; N451-Q453 VanDerWaalsContact O-N 3.12Å; N451-N454 PolarHBondContact O-N 2.8Å
452I35.1Very low41.1Very low145 Ų145122.4 Ų122.474%0.74462%0.622SS**THydrogen-bonded Turntrans-59.2-31.7-165.9-65.7170.7000112.4N454 L455I452-N454 PolarHBondContact O-N 2.73Å; I452-L455 PolarHBondContact O-N 2.75Å; I452-L455 VanDerWaalsContact O-N 3.1Å
453Q45.8Very low42.8Very low117 Ų117120 Ų12055%0.54761%0.612SS.*Hα-helixtrans-50.1-28.6173.3-120.783.360.400114.5N451 E456 N457N451-Q453 PolarHBondContact O-N 3.11Å; N451-Q453 VanDerWaalsContact O-N 3.12Å; Q453-E456 PolarHBondContact O-N 3.03Å; Q453-N457 PolarHBondContact O-N 2.92Å; Q453-N457 PolarHBondContact O-ND2 2.98Å
454N43.2Very low44.5Very low69 Ų69117.6 Ų117.637%0.36960%0.599SS.*Hα-helixtrans-77.9-17.1-176.5-76-24.8000113.9N451 I452 N457 F458N451-N454 PolarHBondContact O-N 2.8Å; I452-N454 PolarHBondContact O-N 2.73Å; N454-N457 PolarHBondContact OD1-ND2 3.41Å; N454-F458 PolarHBondContact O-N 3.36Å; N454-F458 VanDerWaalsContact O-N 3.11Å
455L39.8Very low45.7Very low128 Ų128114.8 Ų114.867%0.6758%0.583SS**Hα-helixtrans-69.2-38168.6-103.482.5000111.5I452 F458 K459I452-L455 PolarHBondContact O-N 2.75Å; I452-L455 VanDerWaalsContact O-N 3.1Å; L455-F458 PolarHBondContact O-N 3.42Å; L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 PolarHBondContact O-N 3.13Å
456E48.9Very low47.1Very low125 Ų125114.6 Ų114.658%0.58457%0.574SS**Hα-helixtrans-64.1-43.6176.3-64.9-177.1111.200111Q453 F458 K459 L460Q453-E456 PolarHBondContact O-N 3.03Å; E456-F458 VanDerWaalsContact C-N 3.34Å; E456-F458 PolarHBondContact O-N 3.19Å; E456-K459 PolarHBondContact O-N 2.82Å; E456-L460 WeakPolarHBondContact O-CB 3.5Å; E456-L460 PolarHBondContact O-N 3.44Å
457N48.8Very low49Very low96 Ų96116.2 Ų116.251%0.51357%0.574SS.*Hα-helixtrans-62.1-38.9175.4-70.4-36.8000112.6Q453 N454 F461Q453-N457 PolarHBondContact O-N 2.92Å; Q453-N457 PolarHBondContact O-ND2 2.98Å; N454-N457 PolarHBondContact OD1-ND2 3.41Å; N457-F461 PolarHBondContact O-N 2.84Å; N457-F461 VanDerWaalsContact O-N 3.11Å
458F48.2Very low50.2Low135 Ų135112.1 Ų112.159%0.59255%0.552SS**Hα-helixtrans-69.4-40.6175.6-171.5-100.9000112.1N454 L455 E456 F461 I462N454-F458 PolarHBondContact O-N 3.36Å; N454-F458 VanDerWaalsContact O-N 3.11Å; L455-F458 PolarHBondContact O-N 3.42Å; E456-F458 VanDerWaalsContact C-N 3.34Å; E456-F458 PolarHBondContact O-N 3.19Å; F458-F461 WeakPolarHBondContact O-CB 3.18Å; F458-F461 PolarHBondContact O-N 2.86Å; F458-I462 HydrophobicContact CD1-CG1 4.39Å; F458-I462 HydrophobicContact CE1-CD1 4.43Å; F458-I462 HydrophobicContact CE1-CG1 4.1Å; F458-I462 HydrophobicContact CZ-CD1 4.4Å; F458-I462 HydrophobicContact CZ-CG1 4.47Å; F458-I462 WeakPolarHBondContact O-CG1 3.22Å; F458-I462 PolarHBondContact O-N 2.83Å; F458-I462 VanDerWaalsContact O-N 3.08Å
459K56.6Low51Low128 Ų128111.5 Ų111.556%0.55755%0.545SS*.Hα-helixtrans-60.1-45.7173.5-169.9-176.4-174.8-106.10111.3L455 E456 F461 I462 E463L455-K459 WeakPolarHBondContact O-CB 3.42Å; L455-K459 PolarHBondContact O-N 3.13Å; E456-K459 PolarHBondContact O-N 2.82Å; K459-F461 VanDerWaalsContact C-N 3.29Å; K459-F461 PolarHBondContact O-N 2.8Å; K459-I462 PolarHBondContact O-N 2.76Å; K459-E463 VanDerWaalsContact CE-OE1 3.29Å; K459-E463 WeakPolarHBondContact CE-OE1 3.5Å; K459-E463 IonicContact NZ-OE1 3.96Å; K459-E463 PolarHBondContact NZ-OE1 2.81Å; K459-E463 WeakPolarHBondContact O-CG 3.27Å; K459-E463 PolarHBondContact O-N 3.48Å
460L65.1Low52.4Low97 Ų97112 Ų11251%0.50855%0.547SS..Hα-helixtrans-62.9-34.6178.6-158.376.5000112.2E456 L464E456-L460 WeakPolarHBondContact O-CB 3.5Å; E456-L460 PolarHBondContact O-N 3.44Å; L460-L464 WeakPolarHBondContact O-CB 3.2Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.05Å; L460-L464 PolarHBondContact O-N 3.24Å
461F54.9Low54.1Low120 Ų120105.3 Ų105.353%0.52652%0.518SS..Hα-helixtrans-67.4-41.2173.8179.6-104.8000112.6N457 F458 K459 L464 L465N457-F461 PolarHBondContact O-N 2.84Å; N457-F461 VanDerWaalsContact O-N 3.11Å; F458-F461 WeakPolarHBondContact O-CB 3.18Å; F458-F461 PolarHBondContact O-N 2.86Å; K459-F461 VanDerWaalsContact C-N 3.29Å; K459-F461 PolarHBondContact O-N 2.8Å; F461-L464 PolarHBondContact O-N 3.26Å; F461-L465 HydrophobicContact CD1-CD1 3.99Å; F461-L465 HydrophobicContact CE1-CD1 3.51Å; F461-L465 HydrophobicContact CE2-CD1 4.39Å; F461-L465 HydrophobicContact CZ-CD1 3.75Å; F461-L465 PolarHBondContact O-N 2.84Å
462I57.1Low54.8Low75 Ų75104.7 Ų104.739%0.38552%0.517SS..Hα-helixtrans-65.1-43.2173-65.4-67.7000111.1F458 K459 L464 L465 L466F458-I462 HydrophobicContact CD1-CG1 4.39Å; F458-I462 HydrophobicContact CE1-CD1 4.43Å; F458-I462 HydrophobicContact CE1-CG1 4.1Å; F458-I462 HydrophobicContact CZ-CD1 4.4Å; F458-I462 HydrophobicContact CZ-CG1 4.47Å; F458-I462 WeakPolarHBondContact O-CG1 3.22Å; F458-I462 PolarHBondContact O-N 2.83Å; F458-I462 VanDerWaalsContact O-N 3.08Å; K459-I462 PolarHBondContact O-N 2.76Å; I462-L464 PolarHBondContact O-N 3.35Å; I462-L465 PolarHBondContact O-N 2.9Å; I462-L466 HydrophobicContact CG2-CD1 4.03Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.09Å
463E65.4Low55.4Low84 Ų84102.6 Ų102.639%0.39351%0.507SS..Hα-helixtrans-62.8-40.2176.9-73.8173.4177.500111.9K459 L466 Y467K459-E463 VanDerWaalsContact CE-OE1 3.29Å; K459-E463 WeakPolarHBondContact CE-OE1 3.5Å; K459-E463 IonicContact NZ-OE1 3.96Å; K459-E463 PolarHBondContact NZ-OE1 2.81Å; K459-E463 WeakPolarHBondContact O-CG 3.27Å; K459-E463 PolarHBondContact O-N 3.48Å; E463-L466 PolarHBondContact O-N 2.81Å; E463-Y467 VanDerWaalsContact O-CB 3.3Å; E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 2.71Å
464L66.7Low55.7Low102 Ų102103.6 Ų103.653%0.53451%0.512SS..Hα-helixtrans-66.3-41.4174.6-78.8165.6000112.9L460 F461 I462 Y467 D468L460-L464 WeakPolarHBondContact O-CB 3.2Å; L460-L464 VanDerWaalsContact O-CG 3.31Å; L460-L464 WeakPolarHBondContact O-CG 3.05Å; L460-L464 PolarHBondContact O-N 3.24Å; F461-L464 PolarHBondContact O-N 3.26Å; I462-L464 PolarHBondContact O-N 3.35Å; L464-Y467 PolarHBondContact O-N 3.05Å; L464-D468 PolarHBondContact O-N 3.46Å
465L55.1Low55.9Low91 Ų91106.5 Ų106.548%0.47652%0.523SS..Hα-helixtrans-64.2-41.6175.1-82.9168.1000112.2F461 I462 T469F461-L465 HydrophobicContact CD1-CD1 3.99Å; F461-L465 HydrophobicContact CE1-CD1 3.51Å; F461-L465 HydrophobicContact CE2-CD1 4.39Å; F461-L465 HydrophobicContact CZ-CD1 3.75Å; F461-L465 PolarHBondContact O-N 2.84Å; I462-L465 PolarHBondContact O-N 2.9Å; L465-T469 VanDerWaalsContact O-CB 3.31Å; L465-T469 WeakPolarHBondContact O-CB 3.18Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 VanDerWaalsContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 2.94Å
466L63Low56.1Low102 Ų102107.3 Ų107.353%0.53453%0.527SS..Hα-helixtrans-63.8-41.6172.9-77.9166.3000111.4I462 E463 T469 L470I462-L466 HydrophobicContact CG2-CD1 4.03Å; I462-L466 WeakPolarHBondContact O-CG 3.41Å; I462-L466 PolarHBondContact O-N 3.09Å; E463-L466 PolarHBondContact O-N 2.81Å; L466-T469 PolarHBondContact O-N 3.22Å; L466-L470 WeakPolarHBondContact O-CB 3.33Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 2.69Å
467Y67.8Low55.6Low156 Ų156110 Ų11061%0.61254%0.537SS*.Hα-helixtrans-61.8-52.4179.6-176.4-95.9000112.6E463 L464 T469 L470 K471E463-Y467 VanDerWaalsContact O-CB 3.3Å; E463-Y467 WeakPolarHBondContact O-CB 3.23Å; E463-Y467 PolarHBondContact O-N 2.71Å; L464-Y467 PolarHBondContact O-N 3.05Å; Y467-T469 VanDerWaalsContact C-N 3.3Å; Y467-T469 PolarHBondContact O-N 3.49Å; Y467-L470 PolarHBondContact O-N 3.29Å; Y467-K471 HydrophobicContact CE1-CD 4.19Å; Y467-K471 WeakPolarHBondContact O-CB 3.12Å; Y467-K471 PolarHBondContact O-N 3.49Å
468D63.3Low55Low90 Ų90110.4 Ų110.448%0.48155%0.546SS..Hα-helixtrans-68.3-29.3178.8-96.3-15.6000112.3L464 K471 T472L464-D468 PolarHBondContact O-N 3.46Å; D468-K471 IonicContact OD1-NZ 2.61Å; D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 2.91Å; D468-T472 PolarHBondContact O-OG1 3.09Å
469T50.1Low54.5Low79 Ų79111.3 Ų111.349%0.48556%0.557SS.*Hα-helixtrans-66.7-49172.7-56.40000111.4L465 L466 Y467 K471 T472 I473L465-T469 VanDerWaalsContact O-CB 3.31Å; L465-T469 WeakPolarHBondContact O-CB 3.18Å; L465-T469 PolarHBondContact O-N 2.82Å; L465-T469 VanDerWaalsContact O-N 3.11Å; L465-T469 PolarHBondContact O-OG1 2.94Å; L466-T469 PolarHBondContact O-N 3.22Å; Y467-T469 VanDerWaalsContact C-N 3.3Å; Y467-T469 PolarHBondContact O-N 3.49Å; T469-K471 VanDerWaalsContact C-N 3.33Å; T469-K471 PolarHBondContact O-N 3.32Å; T469-T472 PolarHBondContact O-N 2.86Å; T469-I473 HydrophobicContact CG2-CD1 4.2Å; T469-I473 WeakPolarHBondContact O-CG1 3.41Å; T469-I473 PolarHBondContact O-N 3.28Å
470L57.1Low53.3Low104 Ų104110.5 Ų110.555%0.54557%0.567SS.*Hα-helixtrans-63.2-38.5176.8-74.6167.7000112.1L466 Y467 I473 Q474L466-L470 WeakPolarHBondContact O-CB 3.33Å; L466-L470 VanDerWaalsContact O-CG 3.29Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 2.69Å; Y467-L470 PolarHBondContact O-N 3.29Å; L470-I473 WeakPolarHBondContact O-CB 3.32Å; L470-I473 PolarHBondContact O-N 2.99Å; L470-Q474 PolarHBondContact O-N 3.3Å
471K67.8Low52Low78 Ų78113.1 Ų113.134%0.33958%0.581SS.*Hα-helixtrans-65.4-42.4174.8179.7-179.4159.9-155.50112Y467 D468 T469 I473 Q474 E475Y467-K471 HydrophobicContact CE1-CD 4.19Å; Y467-K471 WeakPolarHBondContact O-CB 3.12Å; Y467-K471 PolarHBondContact O-N 3.49Å; D468-K471 IonicContact OD1-NZ 2.61Å; T469-K471 VanDerWaalsContact C-N 3.33Å; T469-K471 PolarHBondContact O-N 3.32Å; K471-I473 VanDerWaalsContact C-N 3.28Å; K471-I473 PolarHBondContact O-N 3.37Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-Q474 VanDerWaalsContact O-N 3.1Å; K471-E475 WeakPolarHBondContact CE-OE1 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.44Å
472T50.5Low51.4Low77 Ų77112.8 Ų112.847%0.47259%0.585SS.*Hα-helixtrans-60.5-39.4173.5-56.30000111.2D468 T469 E475 L476D468-T472 WeakPolarHBondContact O-CB 3.48Å; D468-T472 PolarHBondContact O-N 2.91Å; D468-T472 PolarHBondContact O-OG1 3.09Å; T469-T472 PolarHBondContact O-N 2.86Å; T472-E475 PolarHBondContact O-N 3.15Å; T472-L476 HydrophobicContact CG2-CD1 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.25Å; T472-L476 VanDerWaalsContact O-CG 3.31Å; T472-L476 WeakPolarHBondContact O-CG 3.11Å; T472-L476 PolarHBondContact O-N 3.18Å; T472-L476 VanDerWaalsContact O-N 3.08Å
473I47.8Very low50.9Low102 Ų102117 Ų11752%0.52360%0.6SS.*Hα-helixtrans-66.2-35.4174.5-68.1164.4000111.8T469 L470 K471T469-I473 HydrophobicContact CG2-CD1 4.2Å; T469-I473 WeakPolarHBondContact O-CG1 3.41Å; T469-I473 PolarHBondContact O-N 3.28Å; L470-I473 WeakPolarHBondContact O-CB 3.32Å; L470-I473 PolarHBondContact O-N 2.99Å; K471-I473 VanDerWaalsContact C-N 3.28Å; K471-I473 PolarHBondContact O-N 3.37Å
474Q51.8Low50.1Low138 Ų138118.3 Ų118.365%0.64561%0.606SS**Hα-helixtrans-71.3-42.6173.8-76.3-176.3-21.300112.8L470 K471 L476 K477L470-Q474 PolarHBondContact O-N 3.3Å; K471-Q474 PolarHBondContact O-N 3.21Å; K471-Q474 VanDerWaalsContact O-N 3.1Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 2.72Å; Q474-K477 VanDerWaalsContact O-CB 3.28Å; Q474-K477 WeakPolarHBondContact O-CB 3.21Å; Q474-K477 PolarHBondContact O-N 2.75Å
475E49.2Very low49.4Very low130 Ų130116.7 Ų116.761%0.60760%0.604SS**Hα-helixtrans-66.2-32.8179.6-72178.3-168.200111.9K471 T472 K477K471-E475 WeakPolarHBondContact CE-OE1 3.31Å; K471-E475 WeakPolarHBondContact O-CG 3.39Å; K471-E475 PolarHBondContact O-N 3.44Å; T472-E475 PolarHBondContact O-N 3.15Å; E475-K477 PolarHBondContact O-N 2.61Å
476L42.4Very low49Very low145 Ų145115.4 Ų115.476%0.75960%0.599SS**THydrogen-bonded Turntrans-69.6-11.7171-72.1170.3000114.2T472 Q474T472-L476 HydrophobicContact CG2-CD1 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.25Å; T472-L476 VanDerWaalsContact O-CG 3.31Å; T472-L476 WeakPolarHBondContact O-CG 3.11Å; T472-L476 PolarHBondContact O-N 3.18Å; T472-L476 VanDerWaalsContact O-N 3.08Å; Q474-L476 VanDerWaalsContact C-N 3.31Å; Q474-L476 PolarHBondContact O-N 2.72Å
477K38.8Very low48.5Very low180 Ų180114.3 Ų114.378%0.78359%0.593SS**THydrogen-bonded Turntrans-90.36.9-176-153.4170.4-178.1176.30113.9Q474 E475Q474-K477 VanDerWaalsContact O-CB 3.28Å; Q474-K477 WeakPolarHBondContact O-CB 3.21Å; Q474-K477 PolarHBondContact O-N 2.75Å; E475-K477 PolarHBondContact O-N 2.61Å
478C35.7Very low47.7Very low106 Ų106112.3 Ų112.372%0.71659%0.59SS**  trans-128.468-169.5-740000115.1
479N37.6Very low47Very low153 Ų153111.1 Ų111.182%0.81859%0.588SS**  trans-152.2169.6159.3-136.6-30.6000112.7
480C31.4Very low46.6Very low112 Ų112111.3 Ų111.376%0.75759%0.585SS**  trans73.171.3174.7-630000118.6
481N38.2Very low46.3Very low151 Ų151111.8 Ų111.881%0.80758%0.584SS**  trans20.498.9130.6-53.1-22.9000120
482D43.6Very low46Very low114 Ų114111.7 Ų111.761%0.6159%0.594SS**  -156.7136.7103.4-160.7-8.9000108.5V486D482-V486 VanDerWaalsContact O-CB 3.24Å; D482-V486 WeakPolarHBondContact O-CB 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.27Å
483K45.4Very low45.8Very low162 Ų162112.6 Ų112.670%0.70459%0.592SS**  trans-102.3-23.2-156.3-80-168.7175.2-175.90117.5I487K483-I487 WeakPolarHBondContact O-CB 2.83Å; K483-I487 VanDerWaalsContact O-CD1 3.22Å; K483-I487 WeakPolarHBondContact O-CD1 3.37Å; K483-I487 WeakPolarHBondContact O-CG1 3.5Å
484Q49.1Very low45.6Very low113 Ų113111.5 Ų111.553%0.52859%0.587SS.*SBendtrans-101.1-49-174.3-167.761.332.800113.2V486 I487 E488Q484-V486 VanDerWaalsContact C-N 3.27Å; Q484-V486 PolarHBondContact O-N 2.94Å; Q484-I487 PolarHBondContact O-N 3.45Å; Q484-E488 PolarHBondContact NE2-OE1 3.22Å; Q484-E488 PolarHBondContact O-N 2.73Å
485S51.1Low45.7Very low68 Ų68109.4 Ų109.448%0.47658%0.584SS.*Hα-helixtrans-59.8-38.8173.550.90000111.9E488 C489S485-E488 PolarHBondContact O-N 3.34Å; S485-C489 WeakPolarHBondContact O-CB 3.39Å; S485-C489 PolarHBondContact O-N 2.66Å
486V46.4Very low45.7Very low64 Ų64106.8 Ų106.839%0.38858%0.577SS.*Hα-helixtrans-72.6-29.8174.1-176.90000111.6D482 Q484 L490D482-V486 VanDerWaalsContact O-CB 3.24Å; D482-V486 WeakPolarHBondContact O-CB 3.26Å; D482-V486 WeakPolarHBondContact O-CG2 3.27Å; Q484-V486 VanDerWaalsContact C-N 3.27Å; Q484-V486 PolarHBondContact O-N 2.94Å; V486-L490 HydrophobicContact CG1-CD1 3.67Å; V486-L490 HydrophobicContact CG1-CG 3.89Å; V486-L490 WeakPolarHBondContact O-CA 3.43Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 WeakPolarHBondContact O-CG 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å
487I52.6Low45.7Very low79 Ų79103.5 Ų103.541%0.40556%0.559SS.*Hα-helixtrans-69.1-41.7171-82.2175.1000111.3K483 Q484 L490 Q491K483-I487 WeakPolarHBondContact O-CB 2.83Å; K483-I487 VanDerWaalsContact O-CD1 3.22Å; K483-I487 WeakPolarHBondContact O-CD1 3.37Å; K483-I487 WeakPolarHBondContact O-CG1 3.5Å; Q484-I487 PolarHBondContact O-N 3.45Å; I487-L490 CarbonylContact O-C 3.54Å; I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CB 3.45Å; I487-Q491 WeakPolarHBondContact O-CG 3.49Å; I487-Q491 PolarHBondContact O-N 3.39Å
488E52.6Low46.1Very low114 Ų11499.9 Ų99.953%0.53355%0.545SS..Hα-helixtrans-72-38.8178.7-74.8164.7-149.400111.9Q484 S485 Q491 S492Q484-E488 PolarHBondContact NE2-OE1 3.22Å; Q484-E488 PolarHBondContact O-N 2.73Å; S485-E488 PolarHBondContact O-N 3.34Å; E488-Q491 PolarHBondContact O-N 3.45Å; E488-S492 PolarHBondContact O-N 2.96Å
489C48.5Very low46.8Very low65 Ų6597.8 Ų97.844%0.43953%0.532SS..Hα-helixtrans-65.6-46.5172-171.30000111.6S485 Q491 S492 Q493S485-C489 WeakPolarHBondContact O-CB 3.39Å; S485-C489 PolarHBondContact O-N 2.66Å; C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.26Å; C489-S492 PolarHBondContact O-N 3.41Å; C489-Q493 VanDerWaalsContact O-CB 3.31Å; C489-Q493 WeakPolarHBondContact O-CB 3.38Å; C489-Q493 WeakPolarHBondContact O-CG 3.19Å; C489-Q493 PolarHBondContact O-N 3.02Å
490L41.2Very low47.4Very low83 Ų8395 Ų9544%0.43552%0.517SS..Hα-helixtrans-70.2-19.5173.4-69.8178.4000112.9V486 I487 L494V486-L490 HydrophobicContact CG1-CD1 3.67Å; V486-L490 HydrophobicContact CG1-CG 3.89Å; V486-L490 WeakPolarHBondContact O-CA 3.43Å; V486-L490 WeakPolarHBondContact O-CB 3.15Å; V486-L490 WeakPolarHBondContact O-CG 3.34Å; V486-L490 PolarHBondContact O-N 2.86Å; I487-L490 CarbonylContact O-C 3.54Å; L490-L494 WeakPolarHBondContact O-CA 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CD1 3.13Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.12Å
491Q51Low48.1Very low113 Ų11394 Ų9453%0.52850%0.501SS..Hα-helixtrans-79.1-39.8171.5-84.4178.2-29.100111.4I487 E488 C489 L494 T495I487-Q491 HydrophobicContact CG2-CG 4.36Å; I487-Q491 WeakPolarHBondContact O-CB 3.45Å; I487-Q491 WeakPolarHBondContact O-CG 3.49Å; I487-Q491 PolarHBondContact O-N 3.39Å; E488-Q491 PolarHBondContact O-N 3.45Å; C489-Q491 VanDerWaalsContact C-N 3.29Å; C489-Q491 PolarHBondContact O-N 3.26Å; Q491-L494 PolarHBondContact O-N 2.89Å; Q491-T495 WeakPolarHBondContact O-CB 3.5Å; Q491-T495 PolarHBondContact O-N 3.3Å; Q491-T495 PolarHBondContact O-OG1 2.88Å
492S61.6Low48.7Very low76 Ų7693.3 Ų93.353%0.53149%0.493SS..Hα-helixtrans-65.4-43.6171-176.70000110.9E488 C489 T495 T496E488-S492 PolarHBondContact O-N 2.96Å; C489-S492 PolarHBondContact O-N 3.41Å; S492-T495 PolarHBondContact O-N 3.34Å; S492-T496 PolarHBondContact O-N 3.43Å; S492-T496 PolarHBondContact O-OG1 2.87Å
493Q45.5Very low49.2Very low96 Ų9693.3 Ų93.345%0.44949%0.489SS..Hα-helixtrans-68.2-37.2173-70.4-179.8-1.600111.9C489 T496 I497C489-Q493 VanDerWaalsContact O-CB 3.31Å; C489-Q493 WeakPolarHBondContact O-CB 3.38Å; C489-Q493 WeakPolarHBondContact O-CG 3.19Å; C489-Q493 PolarHBondContact O-N 3.02Å; Q493-T496 CarbonylContact O-C 3.58Å; Q493-T496 PolarHBondContact O-N 3.09Å; Q493-I497 HydrophobicContact CB-CD1 4.25Å; Q493-I497 WeakPolarHBondContact O-CA 3.15Å; Q493-I497 WeakPolarHBondContact O-CB 3.37Å; Q493-I497 WeakPolarHBondContact O-CD1 3.35Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 3.25Å
494L43.7Very low49.5Very low79 Ų7990.7 Ų90.741%0.41448%0.48SS..Hα-helixtrans-69.2-30.4173.1-82.5164.1000112.3L490 Q491 T496 Q498L490-L494 WeakPolarHBondContact O-CA 3.23Å; L490-L494 WeakPolarHBondContact O-CB 3.44Å; L490-L494 WeakPolarHBondContact O-CD1 3.13Å; L490-L494 WeakPolarHBondContact O-CG 3.41Å; L490-L494 PolarHBondContact O-N 3.12Å; Q491-L494 PolarHBondContact O-N 2.89Å; L494-T496 VanDerWaalsContact C-N 3.34Å; L494-Q498 WeakPolarHBondContact O-CA 3.39Å; L494-Q498 WeakPolarHBondContact O-CB 3.17Å; L494-Q498 WeakPolarHBondContact O-CG 3.43Å; L494-Q498 PolarHBondContact O-N 2.98Å; L494-Q498 PolarHBondContact O-OE1 3.12Å
495T53.2Low49.8Very low95 Ų9591.3 Ų91.358%0.58348%0.482SS*.Hα-helixtrans-69.8-38.1172.9-47.20000110.1Q491 S492 S499Q491-T495 WeakPolarHBondContact O-CB 3.5Å; Q491-T495 PolarHBondContact O-N 3.3Å; Q491-T495 PolarHBondContact O-OG1 2.88Å; S492-T495 PolarHBondContact O-N 3.34Å; T495-S499 PolarHBondContact O-N 2.8Å; T495-S499 PolarHBondContact O-OG 3.17Å
496T49.6Very low50.1Low74 Ų7494.6 Ų94.645%0.45449%0.49SS..Hα-helixtrans-71.3-36.2174.8-42.50000112.2S492 Q493 L494 S499 N500S492-T496 PolarHBondContact O-N 3.43Å; S492-T496 PolarHBondContact O-OG1 2.87Å; Q493-T496 CarbonylContact O-C 3.58Å; Q493-T496 PolarHBondContact O-N 3.09Å; L494-T496 VanDerWaalsContact C-N 3.34Å; T496-S499 WeakPolarHBondContact CA-OG 3.16Å; T496-S499 PolarHBondContact O-OG 2.73Å; T496-N500 VanDerWaalsContact O-CB 3.26Å; T496-N500 WeakPolarHBondContact O-CB 3.27Å; T496-N500 PolarHBondContact O-N 3.19Å; T496-N500 PolarHBondContact O-OD1 3Å
497I43.5Very low50.4Low76 Ų7697 Ų9739%0.3950%0.497SS..Hα-helixtrans-80.3-26.8177.9-70.1164.7000110.1Q493 N500 E501Q493-I497 HydrophobicContact CB-CD1 4.25Å; Q493-I497 WeakPolarHBondContact O-CA 3.15Å; Q493-I497 WeakPolarHBondContact O-CB 3.37Å; Q493-I497 WeakPolarHBondContact O-CD1 3.35Å; Q493-I497 WeakPolarHBondContact O-CG1 3.47Å; Q493-I497 PolarHBondContact O-N 3.25Å; I497-N500 CarbonylContact O-C 3.57Å; I497-N500 PolarHBondContact O-N 3.44Å; I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CA 3.33Å; I497-E501 WeakPolarHBondContact O-CB 3.25Å; I497-E501 WeakPolarHBondContact O-CG 3.45Å; I497-E501 PolarHBondContact O-N 3Å
498Q45.9Very low50.7Low105 Ų10598.5 Ų98.549%0.49150%0.502SS..Hα-helixtrans-77.4-37.7171.2-76.5172.9-33.700111.3L494 N500 E501 E502L494-Q498 WeakPolarHBondContact O-CA 3.39Å; L494-Q498 WeakPolarHBondContact O-CB 3.17Å; L494-Q498 WeakPolarHBondContact O-CG 3.43Å; L494-Q498 PolarHBondContact O-N 2.98Å; L494-Q498 PolarHBondContact O-OE1 3.12Å; Q498-N500 VanDerWaalsContact C-N 3.26Å; Q498-N500 PolarHBondContact O-N 3.46Å; Q498-E501 PolarHBondContact O-N 2.99Å; Q498-E502 WeakPolarHBondContact O-CB 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.36Å; Q498-E502 PolarHBondContact O-N 3.27Å
499S52.2Low51.4Low61 Ų6198.1 Ų98.143%0.42750%0.501SS..Hα-helixtrans-63.1-37.3167.561.70000111.3T495 T496 H503T495-S499 PolarHBondContact O-N 2.8Å; T495-S499 PolarHBondContact O-OG 3.17Å; T496-S499 WeakPolarHBondContact CA-OG 3.16Å; T496-S499 PolarHBondContact O-OG 2.73Å; S499-H503 VanDerWaalsContact O-CB 3.23Å; S499-H503 WeakPolarHBondContact O-CB 3.43Å; S499-H503 PolarHBondContact O-N 2.96Å
500N48.3Very low52.3Low96 Ų96100 Ų10051%0.51351%0.506SS..Hα-helixtrans-78.7-25.6176.2-685.5000113.2T496 I497 Q498 Q504T496-N500 VanDerWaalsContact O-CB 3.26Å; T496-N500 WeakPolarHBondContact O-CB 3.27Å; T496-N500 PolarHBondContact O-N 3.19Å; T496-N500 PolarHBondContact O-OD1 3Å; I497-N500 CarbonylContact O-C 3.57Å; I497-N500 PolarHBondContact O-N 3.44Å; Q498-N500 VanDerWaalsContact C-N 3.26Å; Q498-N500 PolarHBondContact O-N 3.46Å; N500-Q504 WeakPolarHBondContact O-CA 3.29Å; N500-Q504 WeakPolarHBondContact O-CB 3.39Å; N500-Q504 PolarHBondContact O-N 3.43Å
501E46.1Very low53.3Low90 Ų90101.3 Ų101.342%0.42151%0.513SS..Hα-helixtrans-79.6-33.4173.7-83.5175.3161.900110.1I497 Q498 Q505I497-E501 HydrophobicContact CG2-CG 4.03Å; I497-E501 WeakPolarHBondContact O-CA 3.33Å; I497-E501 WeakPolarHBondContact O-CB 3.25Å; I497-E501 WeakPolarHBondContact O-CG 3.45Å; I497-E501 PolarHBondContact O-N 3Å; Q498-E501 PolarHBondContact O-N 2.99Å; E501-Q505 WeakPolarHBondContact O-CA 3.41Å; E501-Q505 WeakPolarHBondContact O-CB 3.37Å; E501-Q505 WeakPolarHBondContact O-CG 3.47Å; E501-Q505 PolarHBondContact O-N 2.93Å
502E52Low54.2Low136 Ų13699 Ų9964%0.63651%0.506SS*.Hα-helixtrans-68.6-40.3167.4-74.9-175165.500110.5Q498 Q506Q498-E502 WeakPolarHBondContact O-CB 3.41Å; Q498-E502 WeakPolarHBondContact O-CG 3.36Å; Q498-E502 PolarHBondContact O-N 3.27Å; E502-Q506 VanDerWaalsContact O-CB 3.31Å; E502-Q506 WeakPolarHBondContact O-CB 3.45Å; E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.34Å
503H54.4Low54.6Low114 Ų11499 Ų9953%0.52850%0.5SS..Hα-helixtrans-72.4-31.5175.5-155.7-52.6000112.7S499 Q506 E507S499-H503 VanDerWaalsContact O-CB 3.23Å; S499-H503 WeakPolarHBondContact O-CB 3.43Å; S499-H503 PolarHBondContact O-N 2.96Å; H503-Q506 PolarHBondContact O-N 3.5Å; H503-E507 WeakPolarHBondContact O-CG 3.39Å; H503-E507 PolarHBondContact O-N 2.96Å
504Q50.5Low55.6Low108 Ų10898.9 Ų98.951%0.50550%0.5SS..Hα-helixtrans-85.2-23.2176.3-175.2167.173.100112.1N500 Q508N500-Q504 WeakPolarHBondContact O-CA 3.29Å; N500-Q504 WeakPolarHBondContact O-CB 3.39Å; N500-Q504 PolarHBondContact O-N 3.43Å; Q504-Q508 WeakPolarHBondContact O-CB 3.38Å; Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 2.91Å
505Q56.1Low56.7Low125 Ų12599.8 Ų99.858%0.58450%0.504SS*.Hα-helixtrans-76.1-31.9162.4-76.4176.422.500110.8E501 Q509E501-Q505 WeakPolarHBondContact O-CA 3.41Å; E501-Q505 WeakPolarHBondContact O-CB 3.37Å; E501-Q505 WeakPolarHBondContact O-CG 3.47Å; E501-Q505 PolarHBondContact O-N 2.93Å; Q505-Q509 WeakPolarHBondContact O-CA 3.44Å; Q505-Q509 WeakPolarHBondContact O-CB 3.48Å; Q505-Q509 PolarHBondContact O-N 3.45Å
506Q57.4Low57.5Low138 Ų13898.6 Ų98.665%0.64550%0.495SS*.Hα-helixtrans-69.8-37.9168.3-79.9-175.2-5.600111.7E502 H503 L510E502-Q506 VanDerWaalsContact O-CB 3.31Å; E502-Q506 WeakPolarHBondContact O-CB 3.45Å; E502-Q506 VanDerWaalsContact O-CG 3.32Å; E502-Q506 WeakPolarHBondContact O-CG 3.28Å; E502-Q506 PolarHBondContact O-N 3.34Å; H503-Q506 PolarHBondContact O-N 3.5Å; Q506-L510 WeakPolarHBondContact O-CB 3.14Å; Q506-L510 PolarHBondContact O-N 2.7Å
507E53Low58.7Low113 Ų113100.8 Ų100.853%0.52850%0.5SS..Hα-helixtrans-68.5-41169.7-76.9-175.2133.500111.9H503 L510 L511H503-E507 WeakPolarHBondContact O-CG 3.39Å; H503-E507 PolarHBondContact O-N 2.96Å; E507-L510 PolarHBondContact O-N 3.25Å; E507-L511 WeakPolarHBondContact O-CA 3.3Å; E507-L511 WeakPolarHBondContact O-CB 3.28Å; E507-L511 PolarHBondContact O-N 3.42Å
508Q57.4Low59.9Low111 Ų111102.7 Ų102.752%0.51951%0.507SS..Hα-helixtrans-68.6-33.3174.9-78.5175.911.100112.2Q504 T512Q504-Q508 WeakPolarHBondContact O-CB 3.38Å; Q504-Q508 WeakPolarHBondContact O-CG 3.32Å; Q504-Q508 PolarHBondContact O-N 2.91Å; Q508-T512 WeakPolarHBondContact O-CA 3.39Å; Q508-T512 WeakPolarHBondContact O-CB 3.35Å; Q508-T512 PolarHBondContact O-N 2.74Å; Q508-T512 PolarHBondContact O-OG1 3.38Å
509Q67.8Low61Low106 Ų106101.9 Ų101.950%0.49551%0.505SS..Hα-helixtrans-72.5-43.8173.8-172.168.659.800110Q505 L511 T512 D513Q505-Q509 WeakPolarHBondContact O-CA 3.44Å; Q505-Q509 WeakPolarHBondContact O-CB 3.48Å; Q505-Q509 PolarHBondContact O-N 3.45Å; Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.44Å; Q509-T512 CarbonylContact O-C 3.58Å; Q509-T512 PolarHBondContact O-N 3.27Å; Q509-D513 PolarHBondContact NE2-OD1 3.44Å; Q509-D513 VanDerWaalsContact O-CB 3.22Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.46Å
510L68.3Low61.9Low105 Ų105103.8 Ų103.855%0.5551%0.51SS..Hα-helixtrans-64.5-38.9174.8-173.271000111.6Q506 E507 D513 Q514Q506-L510 WeakPolarHBondContact O-CB 3.14Å; Q506-L510 PolarHBondContact O-N 2.7Å; E507-L510 PolarHBondContact O-N 3.25Å; L510-D513 PolarHBondContact O-N 2.88Å; L510-Q514 VanDerWaalsContact O-CB 3.25Å; L510-Q514 WeakPolarHBondContact O-CB 3.43Å; L510-Q514 VanDerWaalsContact O-CG 3.24Å; L510-Q514 WeakPolarHBondContact O-CG 3.05Å; L510-Q514 PolarHBondContact O-N 3.15Å
511L62.6Low62.9Low111 Ų111103.2 Ų103.258%0.58151%0.507SS*.Hα-helixtrans-71.4-35.3174.5-169.873.5000111E507 Q509 L515E507-L511 WeakPolarHBondContact O-CA 3.3Å; E507-L511 WeakPolarHBondContact O-CB 3.28Å; E507-L511 PolarHBondContact O-N 3.42Å; Q509-L511 VanDerWaalsContact C-N 3.35Å; Q509-L511 PolarHBondContact O-N 3.44Å; L511-L515 WeakPolarHBondContact O-CB 3.48Å; L511-L515 PolarHBondContact O-N 3.44Å
512T68.7Low63.6Low64 Ų64104.6 Ų104.639%0.39352%0.517SS..Hα-helixtrans-70.8-35.5172.9-64.60000111.1Q508 Q509 L515 N516Q508-T512 WeakPolarHBondContact O-CA 3.39Å; Q508-T512 WeakPolarHBondContact O-CB 3.35Å; Q508-T512 PolarHBondContact O-N 2.74Å; Q508-T512 PolarHBondContact O-OG1 3.38Å; Q509-T512 CarbonylContact O-C 3.58Å; Q509-T512 PolarHBondContact O-N 3.27Å; T512-L515 PolarHBondContact O-N 3.26Å; T512-N516 WeakPolarHBondContact O-CB 3.42Å; T512-N516 PolarHBondContact O-N 3.17Å; T512-N516 PolarHBondContact O-ND2 3.3Å; T512-N516 VanDerWaalsContact O-ND2 3.07Å
513D70.6Confident64.5Low75 Ų75103.9 Ų103.940%0.40151%0.513SS..Hα-helixtrans-76.2-34.9177.3-67.5-13.9000110.4Q509 L510 Q517Q509-D513 PolarHBondContact NE2-OD1 3.44Å; Q509-D513 VanDerWaalsContact O-CB 3.22Å; Q509-D513 WeakPolarHBondContact O-CB 3.27Å; Q509-D513 PolarHBondContact O-N 3.46Å; L510-D513 PolarHBondContact O-N 2.88Å; D513-Q517 WeakPolarHBondContact O-CB 3.41Å; D513-Q517 PolarHBondContact O-N 3.44Å
514Q66.1Low65.3Low95 Ų95103 Ų10344%0.44451%0.513SS..Hα-helixtrans-66.4-40.4166.3-79.2178.8-12.800111.9L510 Q517 Q518L510-Q514 VanDerWaalsContact O-CB 3.25Å; L510-Q514 WeakPolarHBondContact O-CB 3.43Å; L510-Q514 VanDerWaalsContact O-CG 3.24Å; L510-Q514 WeakPolarHBondContact O-CG 3.05Å; L510-Q514 PolarHBondContact O-N 3.15Å; Q514-Q517 PolarHBondContact O-N 3.42Å; Q514-Q518 WeakPolarHBondContact O-CB 3.44Å; Q514-Q518 WeakPolarHBondContact O-CG 3.15Å; Q514-Q518 PolarHBondContact O-N 2.76Å
515L68.1Low65.9Low97 Ų97101.5 Ų101.551%0.50851%0.508SS..Hα-helixtrans-68.6-39.3175.9-15981.6000110.4L511 T512 Q518 I519L511-L515 WeakPolarHBondContact O-CB 3.48Å; L511-L515 PolarHBondContact O-N 3.44Å; T512-L515 PolarHBondContact O-N 3.26Å; L515-Q518 PolarHBondContact O-N 3.28Å; L515-I519 HydrophobicContact CD2-CD1 4.18Å; L515-I519 HydrophobicContact CG-CD1 4.02Å; L515-I519 VanDerWaalsContact O-CB 3.23Å; L515-I519 WeakPolarHBondContact O-CB 3.5Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; L515-I519 WeakPolarHBondContact O-CG1 3.28Å; L515-I519 PolarHBondContact O-N 2.67Å
516N69.4Low66Low71 Ų71103.2 Ų103.238%0.3851%0.51SS..Hα-helixtrans-66.8-35.6172.4-74.3-31.2000111.3T512 N520T512-N516 WeakPolarHBondContact O-CB 3.42Å; T512-N516 PolarHBondContact O-N 3.17Å; T512-N516 PolarHBondContact O-ND2 3.3Å; T512-N516 VanDerWaalsContact O-ND2 3.07Å; N516-N520 WeakPolarHBondContact O-CB 3.43Å; N516-N520 PolarHBondContact O-N 3.41Å; N516-N520 PolarHBondContact O-ND2 2.82Å
517Q74.5Confident66.6Low119 Ų11999.7 Ų99.756%0.55650%0.501SS*.Hα-helixtrans-70.8-39.3173.9-171.6174.11400111.1D513 Q514 N520 N521D513-Q517 WeakPolarHBondContact O-CB 3.41Å; D513-Q517 PolarHBondContact O-N 3.44Å; Q514-Q517 PolarHBondContact O-N 3.42Å; Q517-N520 PolarHBondContact O-N 2.95Å; Q517-N521 VanDerWaalsContact O-CB 3.27Å; Q517-N521 WeakPolarHBondContact O-CB 3.37Å; Q517-N521 PolarHBondContact O-N 3.2Å; Q517-N521 PolarHBondContact O-OD1 2.68Å
518Q67.4Low67.4Low117 Ų11799.5 Ų99.555%0.54750%0.498SS..Hα-helixtrans-67-39.8171.9-75.5178.7-300111.7Q514 L515 L522Q514-Q518 WeakPolarHBondContact O-CB 3.44Å; Q514-Q518 WeakPolarHBondContact O-CG 3.15Å; Q514-Q518 PolarHBondContact O-N 2.76Å; L515-Q518 PolarHBondContact O-N 3.28Å; Q518-L522 WeakPolarHBondContact O-CB 3.21Å; Q518-L522 WeakPolarHBondContact O-CD1 3.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.25Å; Q518-L522 PolarHBondContact O-N 2.93Å
519I69.9Low67.3Low88 Ų8898.5 Ų98.545%0.45149%0.494SS..Hα-helixtrans-66.6-40.5174.3-73.7163.6000110.6L515 L522 H523L515-I519 HydrophobicContact CD2-CD1 4.18Å; L515-I519 HydrophobicContact CG-CD1 4.02Å; L515-I519 VanDerWaalsContact O-CB 3.23Å; L515-I519 WeakPolarHBondContact O-CB 3.5Å; L515-I519 WeakPolarHBondContact O-CD1 3.48Å; L515-I519 WeakPolarHBondContact O-CG1 3.28Å; L515-I519 PolarHBondContact O-N 2.67Å; I519-L522 CarbonylContact O-C 3.57Å; I519-H523 WeakPolarHBondContact O-CB 3.27Å; I519-H523 PolarHBondContact O-N 2.7Å
520N70.4Confident67.2Low100 Ų10096.4 Ų96.454%0.53549%0.488SS..Hα-helixtrans-70.5-40176.4-73-21.1000111.7N516 Q517 H523 D524N516-N520 WeakPolarHBondContact O-CB 3.43Å; N516-N520 PolarHBondContact O-N 3.41Å; N516-N520 PolarHBondContact O-ND2 2.82Å; Q517-N520 PolarHBondContact O-N 2.95Å; N520-H523 CarbonylContact O-C 3.53Å; N520-H523 PolarHBondContact O-N 2.97Å; N520-D524 WeakPolarHBondContact O-CB 3.35Å; N520-D524 PolarHBondContact O-N 3.27Å
521N71Confident67.2Low84 Ų8497.9 Ų97.945%0.44949%0.49SS..Hα-helixtrans-62.5-49172.1-70.93.8000110.1Q517 H523 D524 D525Q517-N521 VanDerWaalsContact O-CB 3.27Å; Q517-N521 WeakPolarHBondContact O-CB 3.37Å; Q517-N521 PolarHBondContact O-N 3.2Å; Q517-N521 PolarHBondContact O-OD1 2.68Å; N521-H523 PolarHBondContact O-N 3.42Å; N521-D524 PolarHBondContact O-N 2.71Å; N521-D525 VanDerWaalsContact O-CB 3.27Å; N521-D525 WeakPolarHBondContact O-CB 3.12Å; N521-D525 PolarHBondContact O-N 3.3Å
522L60.8Low67.3Low119 Ų11998 Ų9862%0.62349%0.486SS*.Hα-helixtrans-60.8-29173.2-75.2167.2000112.5Q518 I519 Y526Q518-L522 WeakPolarHBondContact O-CB 3.21Å; Q518-L522 WeakPolarHBondContact O-CD1 3.29Å; Q518-L522 WeakPolarHBondContact O-CG 3.25Å; Q518-L522 PolarHBondContact O-N 2.93Å; I519-L522 CarbonylContact O-C 3.57Å; L522-Y526 WeakPolarHBondContact O-CA 3.45Å; L522-Y526 WeakPolarHBondContact O-CB 3.25Å; L522-Y526 PolarHBondContact O-N 2.69Å
523H70.4Confident66.7Low121 Ų121101.6 Ų101.656%0.5649%0.493SS*.Hα-helixtrans-80.3-37.8177-168.864.1000112.1I519 N520 N521 S527I519-H523 WeakPolarHBondContact O-CB 3.27Å; I519-H523 PolarHBondContact O-N 2.7Å; N520-H523 CarbonylContact O-C 3.53Å; N520-H523 PolarHBondContact O-N 2.97Å; N521-H523 PolarHBondContact O-N 3.42Å; H523-S527 WeakPolarHBondContact O-CA 3.25Å; H523-S527 WeakPolarHBondContact O-CB 3.18Å; H523-S527 PolarHBondContact O-N 2.85Å
524D69.9Low66.5Low97 Ų97100.4 Ų100.452%0.51949%0.491SS..Hα-helixtrans-69.1-38171.5-93.1-1.6000111.1N520 N521 S527 K528N520-D524 WeakPolarHBondContact O-CB 3.35Å; N520-D524 PolarHBondContact O-N 3.27Å; N521-D524 PolarHBondContact O-N 2.71Å; D524-S527 WeakPolarHBondContact O-CB 3.25Å; D524-S527 PolarHBondContact O-N 2.86Å; D524-K528 WeakPolarHBondContact O-CE 3.35Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 3.14Å
525D63.8Low66.5Low75 Ų75100 Ų10040%0.40149%0.492SS..Hα-helixtrans-70.8-46.2174.5-68-27.2000110.7N521 S527 K528 E529N521-D525 VanDerWaalsContact O-CB 3.27Å; N521-D525 WeakPolarHBondContact O-CB 3.12Å; N521-D525 PolarHBondContact O-N 3.3Å; D525-S527 PolarHBondContact O-N 3.41Å; D525-K528 CarbonylContact O-C 3.6Å; D525-K528 WeakPolarHBondContact O-CB 3.28Å; D525-K528 PolarHBondContact O-N 2.88Å; D525-K528 VanDerWaalsContact O-N 3.13Å; D525-K528 IonicContact OD1-NZ 2.92Å; D525-K528 PolarHBondContact OD1-NZ 2.98Å; D525-E529 WeakPolarHBondContact O-CB 3.49Å; D525-E529 PolarHBondContact O-N 3.25Å
526Y58.8Low66Low161 Ų16198.8 Ų98.863%0.63149%0.485SS*.Hα-helixtrans-62.1-29.5170.4-171-93.5000112.1L522 V530L522-Y526 WeakPolarHBondContact O-CA 3.45Å; L522-Y526 WeakPolarHBondContact O-CB 3.25Å; L522-Y526 PolarHBondContact O-N 2.69Å; Y526-V530 HydrophobicContact CD1-CG2 3.73Å; Y526-V530 HydrophobicContact CE1-CG2 3.45Å; Y526-V530 VanDerWaalsContact CE1-CG2 3.45Å; Y526-V530 HydrophobicContact CG-CG2 4.41Å; Y526-V530 WeakPolarHBondContact O-CB 3.46Å; Y526-V530 WeakPolarHBondContact O-CG2 3.34Å; Y526-V530 PolarHBondContact O-N 2.81Å
527S70Confident65.3Low65 Ų65100.6 Ų100.646%0.45549%0.491SS..Hα-helixtrans-71.8-39.5173.2-177.50000111.7H523 D524 D525 K531H523-S527 WeakPolarHBondContact O-CA 3.25Å; H523-S527 WeakPolarHBondContact O-CB 3.18Å; H523-S527 PolarHBondContact O-N 2.85Å; D524-S527 WeakPolarHBondContact O-CB 3.25Å; D524-S527 PolarHBondContact O-N 2.86Å; D525-S527 PolarHBondContact O-N 3.41Å; S527-K531 WeakPolarHBondContact O-CB 3.23Å; S527-K531 PolarHBondContact O-N 3.29Å
528K69Low65.1Low108 Ų108100.4 Ų100.447%0.4749%0.494SS..Hα-helixtrans-63.1-43.3169.5-67.9159.7-148.2163.20111D524 D525 K531 K532D524-K528 WeakPolarHBondContact O-CE 3.35Å; D524-K528 WeakPolarHBondContact O-CG 3.45Å; D524-K528 PolarHBondContact O-N 3.14Å; D525-K528 CarbonylContact O-C 3.6Å; D525-K528 WeakPolarHBondContact O-CB 3.28Å; D525-K528 PolarHBondContact O-N 2.88Å; D525-K528 VanDerWaalsContact O-N 3.13Å; D525-K528 IonicContact OD1-NZ 2.92Å; D525-K528 PolarHBondContact OD1-NZ 2.98Å; K528-K531 CarbonylContact O-C 3.55Å; K528-K531 PolarHBondContact O-N 2.86Å; K528-K532 WeakPolarHBondContact O-CG 3.42Å; K528-K532 PolarHBondContact O-N 3.32Å
529E56.8Low65Low90 Ų9098.6 Ų98.642%0.42148%0.484SS..Hα-helixtrans-70.8-40.1-179.8-124.255.6-142.500111.9D525 K531 K532 Y533D525-E529 WeakPolarHBondContact O-CB 3.49Å; D525-E529 PolarHBondContact O-N 3.25Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 2.8Å; E529-K532 PolarHBondContact O-N 2.79Å; E529-K532 VanDerWaalsContact OE1-CD 3.28Å; E529-K532 WeakPolarHBondContact OE1-CD 3.45Å; E529-K532 IonicContact OE1-NZ 3.46Å; E529-K532 PolarHBondContact OE1-NZ 3.38Å; E529-K532 IonicContact OE2-NZ 3.96Å; E529-K532 PolarHBondContact OE2-NZ 3.25Å; E529-Y533 WeakPolarHBondContact O-CB 3.42Å; E529-Y533 PolarHBondContact O-N 2.74Å
530V65.3Low64.2Low63 Ų63100.3 Ų100.338%0.38249%0.486SS..Hα-helixtrans-64.6-34.2169.7165.60000110.9Y526 Y533 S534Y526-V530 HydrophobicContact CD1-CG2 3.73Å; Y526-V530 HydrophobicContact CE1-CG2 3.45Å; Y526-V530 VanDerWaalsContact CE1-CG2 3.45Å; Y526-V530 HydrophobicContact CG-CG2 4.41Å; Y526-V530 WeakPolarHBondContact O-CB 3.46Å; Y526-V530 WeakPolarHBondContact O-CG2 3.34Å; Y526-V530 PolarHBondContact O-N 2.81Å; V530-Y533 CarbonylContact O-C 3.56Å; V530-Y533 WeakPolarHBondContact O-CB 3.36Å; V530-Y533 PolarHBondContact O-N 3.13Å; V530-S534 WeakPolarHBondContact O-CB 3.12Å; V530-S534 PolarHBondContact O-N 3.44Å; V530-S534 PolarHBondContact O-OG 2.69Å
531K67.8Low63.9Low136 Ų13697 Ų9759%0.59147%0.468SS*.Hα-helixtrans-72.3-43175.9-167.2177.7-179-171.50111.5S527 K528 E529 Y533 S534 D535S527-K531 WeakPolarHBondContact O-CB 3.23Å; S527-K531 PolarHBondContact O-N 3.29Å; K528-K531 CarbonylContact O-C 3.55Å; K528-K531 PolarHBondContact O-N 2.86Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 2.8Å; K531-Y533 VanDerWaalsContact C-N 3.28Å; K531-Y533 PolarHBondContact O-N 3.26Å; K531-S534 CarbonylContact O-C 3.52Å; K531-S534 WeakPolarHBondContact O-CA 3.3Å; K531-S534 WeakPolarHBondContact O-CB 3.47Å; K531-S534 PolarHBondContact O-N 3.4Å; K531-D535 WeakPolarHBondContact O-CB 3.36Å; K531-D535 VanDerWaalsContact O-CG 3.31Å; K531-D535 PolarHBondContact O-N 2.84Å
532K65.1Low63.7Low112 Ų11298.7 Ų98.749%0.48747%0.473SS..Hα-helixtrans-54.9-45.2166.3-73.7177-169.7162.40110.6K528 E529 S534 D535 L536K528-K532 WeakPolarHBondContact O-CG 3.42Å; K528-K532 PolarHBondContact O-N 3.32Å; E529-K532 PolarHBondContact O-N 2.79Å; E529-K532 VanDerWaalsContact OE1-CD 3.28Å; E529-K532 WeakPolarHBondContact OE1-CD 3.45Å; E529-K532 IonicContact OE1-NZ 3.46Å; E529-K532 PolarHBondContact OE1-NZ 3.38Å; E529-K532 IonicContact OE2-NZ 3.96Å; E529-K532 PolarHBondContact OE2-NZ 3.25Å; K532-S534 VanDerWaalsContact C-N 3.28Å; K532-S534 PolarHBondContact O-N 2.8Å; K532-D535 PolarHBondContact O-N 2.76Å; K532-L536 VanDerWaalsContact O-CB 3.3Å; K532-L536 WeakPolarHBondContact O-CB 3.37Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 PolarHBondContact O-N 2.85Å
533Y56Low63.2Low141 Ų14196.4 Ų96.455%0.55346%0.464SS*.Hα-helixtrans-63.6-30.6175.1-110.5-87.7000112.9E529 V530 K531 E537E529-Y533 WeakPolarHBondContact O-CB 3.42Å; E529-Y533 PolarHBondContact O-N 2.74Å; V530-Y533 CarbonylContact O-C 3.56Å; V530-Y533 WeakPolarHBondContact O-CB 3.36Å; V530-Y533 PolarHBondContact O-N 3.13Å; K531-Y533 VanDerWaalsContact C-N 3.28Å; K531-Y533 PolarHBondContact O-N 3.26Å; Y533-E537 WeakPolarHBondContact O-CA 3.16Å; Y533-E537 WeakPolarHBondContact O-CB 3.2Å; Y533-E537 PolarHBondContact O-N 2.86Å
534S65.7Low62.5Low50 Ų5092.2 Ų92.235%0.3545%0.445SS..Hα-helixtrans-76.1-39.1175.4-55.20000111.6V530 K531 K532 E537 L538V530-S534 WeakPolarHBondContact O-CB 3.12Å; V530-S534 PolarHBondContact O-N 3.44Å; V530-S534 PolarHBondContact O-OG 2.69Å; K531-S534 CarbonylContact O-C 3.52Å; K531-S534 WeakPolarHBondContact O-CA 3.3Å; K531-S534 WeakPolarHBondContact O-CB 3.47Å; K531-S534 PolarHBondContact O-N 3.4Å; K532-S534 VanDerWaalsContact C-N 3.28Å; K532-S534 PolarHBondContact O-N 2.8Å; S534-E537 PolarHBondContact O-N 3.32Å; S534-L538 WeakPolarHBondContact O-CG 3.27Å; S534-L538 PolarHBondContact O-N 3.33Å
535D65.8Low62.2Low86 Ų8689.2 Ų89.246%0.4643%0.43SS..Hα-helixtrans-72.4-34.5176.1-64.2-28.7000110.4K531 K532 K539K531-D535 WeakPolarHBondContact O-CB 3.36Å; K531-D535 VanDerWaalsContact O-CG 3.31Å; K531-D535 PolarHBondContact O-N 2.84Å; K532-D535 PolarHBondContact O-N 2.76Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 PolarHBondContact O-N 2.82Å
536L57.4Low61.8Low71 Ų7188.5 Ų88.537%0.37242%0.424SS..Hα-helixtrans-71.4-33.7166.4-9777.4000112.3K532 L538 K539 Y540K532-L536 VanDerWaalsContact O-CB 3.3Å; K532-L536 WeakPolarHBondContact O-CB 3.37Å; K532-L536 WeakPolarHBondContact O-CD1 3.29Å; K532-L536 PolarHBondContact O-N 2.85Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-K539 PolarHBondContact O-N 3.44Å; L536-Y540 WeakPolarHBondContact O-CA 3.27Å; L536-Y540 WeakPolarHBondContact O-CB 3.24Å; L536-Y540 PolarHBondContact O-N 3.42Å
537E56.6Low61.5Low109 Ų10984.9 Ų84.951%0.50942%0.415SS..Hα-helixtrans-67.9-37.7173-178.9171-164.900109.6Y533 S534 N541Y533-E537 WeakPolarHBondContact O-CA 3.16Å; Y533-E537 WeakPolarHBondContact O-CB 3.2Å; Y533-E537 PolarHBondContact O-N 2.86Å; S534-E537 PolarHBondContact O-N 3.32Å; E537-N541 WeakPolarHBondContact CG-ND2 3.5Å; E537-N541 VanDerWaalsContact O-CB 3.23Å; E537-N541 WeakPolarHBondContact O-CB 3.44Å; E537-N541 PolarHBondContact O-N 2.74Å; E537-N541 PolarHBondContact O-ND2 2.69Å
538L68.8Low60.9Low116 Ų11683 Ų8361%0.60740%0.4SS*.Hα-helixtrans-62.5-51.5169.6-76.9166.4000111.6S534 L536 Y540 N541 E542S534-L538 WeakPolarHBondContact O-CG 3.27Å; S534-L538 PolarHBondContact O-N 3.33Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L538-Y540 PolarHBondContact O-N 2.84Å; L538-N541 WeakPolarHBondContact O-CB 3.24Å; L538-N541 PolarHBondContact O-N 3.23Å; L538-E542 WeakPolarHBondContact O-CB 3.24Å; L538-E542 PolarHBondContact O-N 2.88Å
539K65.3Low60.7Low78 Ų7877.9 Ų77.934%0.33938%0.378SS..Hα-helixtrans-58.8-42.5175.1-106.4-165.8166.7-148.60112.9E395 D535 L536 E542 V543E395-K539 VanDerWaalsContact CD-NZ 3.29Å; E395-K539 IonicContact OE1-NZ 3.58Å; E395-K539 PolarHBondContact OE1-NZ 2.8Å; E395-K539 IonicContact OE2-NZ 2.69Å; E395-K539 PolarHBondContact OE2-NZ 3.47Å; E395-K539 VanDerWaalsContact OE2-NZ 3.16Å; D535-K539 WeakPolarHBondContact O-CB 3.42Å; D535-K539 PolarHBondContact O-N 2.82Å; L536-K539 PolarHBondContact O-N 3.44Å; K539-E542 CarbonylContact O-C 3.59Å; K539-E542 WeakPolarHBondContact O-CB 3.47Å; K539-E542 PolarHBondContact O-N 2.94Å; K539-E542 VanDerWaalsContact O-N 3.13Å; K539-V543 WeakPolarHBondContact O-CB 3.45Å; K539-V543 WeakPolarHBondContact O-CG2 3.36Å; K539-V543 PolarHBondContact O-N 3.46Å
540Y54.4Low60.1Low125 Ų12576.4 Ų76.449%0.4938%0.375SS..Hα-helixtrans-65.8-41.2177.1177.7-90.8000110.2L536 L538 E542 Q544L536-Y540 WeakPolarHBondContact O-CA 3.27Å; L536-Y540 WeakPolarHBondContact O-CB 3.24Å; L536-Y540 PolarHBondContact O-N 3.42Å; L538-Y540 PolarHBondContact O-N 2.84Å; Y540-E542 PolarHBondContact O-N 3.39Å; Y540-Q544 WeakPolarHBondContact O-CA 3.4Å; Y540-Q544 WeakPolarHBondContact O-CB 3.36Å; Y540-Q544 PolarHBondContact O-N 3.17Å
541N63.7Low59.5Low29 Ų2978 Ų7816%0.15538%0.378CS..Hα-helixtrans-61.5-34.1171.9-76.9-61000111.9K290 Q294 E537 L538 V545K290-N541 VanDerWaalsContact CD-OD1 3.25Å; K290-N541 WeakPolarHBondContact CD-OD1 3.48Å; K290-N541 WeakPolarHBondContact CE-OD1 3.35Å; K290-N541 PolarHBondContact NZ-ND2 3.22Å; K290-N541 VanDerWaalsContact NZ-ND2 3.12Å; K290-N541 PolarHBondContact NZ-OD1 2.81Å; Q294-N541 PolarHBondContact NE2-O 2.78Å; E537-N541 WeakPolarHBondContact CG-ND2 3.5Å; E537-N541 VanDerWaalsContact O-CB 3.23Å; E537-N541 WeakPolarHBondContact O-CB 3.44Å; E537-N541 PolarHBondContact O-N 2.74Å; E537-N541 PolarHBondContact O-ND2 2.69Å; L538-N541 WeakPolarHBondContact O-CB 3.24Å; L538-N541 PolarHBondContact O-N 3.23Å; N541-V545 WeakPolarHBondContact O-CB 3.45Å; N541-V545 WeakPolarHBondContact O-CG2 3.49Å; N541-V545 PolarHBondContact O-N 2.91Å
542E65.7Low59.4Low120 Ų12073.8 Ų73.856%0.56136%0.362SS*.Hα-helixtrans-77.6-44.7178.6-166.8169.7-145.900113.6L538 K539 Y540 V545 Q546L538-E542 WeakPolarHBondContact O-CB 3.24Å; L538-E542 PolarHBondContact O-N 2.88Å; K539-E542 CarbonylContact O-C 3.59Å; K539-E542 WeakPolarHBondContact O-CB 3.47Å; K539-E542 PolarHBondContact O-N 2.94Å; K539-E542 VanDerWaalsContact O-N 3.13Å; Y540-E542 PolarHBondContact O-N 3.39Å; E542-V545 CarbonylContact O-C 3.57Å; E542-V545 VanDerWaalsContact O-CA 3.23Å; E542-V545 WeakPolarHBondContact O-CA 3.31Å; E542-V545 WeakPolarHBondContact O-CB 3.23Å; E542-V545 PolarHBondContact O-N 3.46Å; E542-Q546 PolarHBondContact O-N 3.31Å; E542-Q546 VanDerWaalsContact O-N 3.07Å
543V50.6Low59.1Low71 Ų7170.6 Ų70.643%0.4335%0.349SS..Hα-helixtrans-67.4-38.1174169.90000110.9K539 V545 Q546 L547K539-V543 WeakPolarHBondContact O-CB 3.45Å; K539-V543 WeakPolarHBondContact O-CG2 3.36Å; K539-V543 PolarHBondContact O-N 3.46Å; V543-V545 VanDerWaalsContact C-N 3.31Å; V543-Q546 CarbonylContact O-C 3.55Å; V543-Q546 WeakPolarHBondContact O-CA 3.44Å; V543-Q546 WeakPolarHBondContact O-CB 3.49Å; V543-Q546 PolarHBondContact O-N 2.93Å; V543-L547 PolarHBondContact O-N 2.81Å
544Q55.3Low59.3Low33 Ų3368.2 Ų68.215%0.15435%0.345CS..Hα-helixtrans-68.5-32.8167.6-168.791.3-3.800109Q294 Y540 Q546 L547Q294-Q544 VanDerWaalsContact CA-O 3.23Å; Q294-Q544 WeakPolarHBondContact CA-O 3.35Å; Q294-Q544 VanDerWaalsContact CB-C 3.49Å; Q294-Q544 HydrophobicContact CB-CG 4.22Å; Q294-Q544 WeakPolarHBondContact CB-O 3.33Å; Q294-Q544 HydrophobicContact CG-CB 4.27Å; Q294-Q544 HydrophobicContact CG-CG 4.04Å; Q294-Q544 WeakPolarHBondContact CG-O 3.48Å; Y540-Q544 WeakPolarHBondContact O-CA 3.4Å; Y540-Q544 WeakPolarHBondContact O-CB 3.36Å; Y540-Q544 PolarHBondContact O-N 3.17Å; Q544-Q546 CarbonylContact O-C 3.57Å; Q544-Q546 PolarHBondContact O-N 2.98Å; Q544-L547 PolarHBondContact O-N 2.82Å
545V65.2Low59.3Low35 Ų3571 Ų7121%0.21235%0.353CS..Hα-helixtrans-54.3-26.1171.2155.70000111Q294 E297 N541 E542 V543Q294-V545 VanDerWaalsContact CA-CA 3.48Å; Q294-V545 WeakPolarHBondContact CA-O 3.43Å; Q294-V545 VanDerWaalsContact CG-CA 3.44Å; Q294-V545 HydrophobicContact CG-CB 4.2Å; Q294-V545 HydrophobicContact CG-CG2 3.68Å; E297-V545 HydrophobicContact CB-CG1 3.94Å; E297-V545 WeakPolarHBondContact CB-O 3.37Å; E297-V545 HydrophobicContact CG-CG1 4.48Å; N541-V545 WeakPolarHBondContact O-CB 3.45Å; N541-V545 WeakPolarHBondContact O-CG2 3.49Å; N541-V545 PolarHBondContact O-N 2.91Å; E542-V545 CarbonylContact O-C 3.57Å; E542-V545 VanDerWaalsContact O-CA 3.23Å; E542-V545 WeakPolarHBondContact O-CA 3.31Å; E542-V545 WeakPolarHBondContact O-CB 3.23Å; E542-V545 PolarHBondContact O-N 3.46Å; V543-V545 VanDerWaalsContact C-N 3.31Å
546Q55.6Low59.4Low60 Ų6069.1 Ų69.128%0.2835%0.346SS..Hα-helixtrans-88.2-48.8171.9-71.9162.521.800112.4E297 I298 L301 E542 V543 Q544 T549E297-Q546 HydrophobicContact CB-CG 4.23Å; E297-Q546 HydrophobicContact CG-CG 4.22Å; E297-Q546 WeakPolarHBondContact OE2-CG 3.48Å; E297-Q546 PolarHBondContact OE2-NE2 3.04Å; I298-Q546 WeakPolarHBondContact CB-O 3.45Å; I298-Q546 VanDerWaalsContact CD1-C 3.48Å; I298-Q546 HydrophobicContact CD1-CB 3.75Å; I298-Q546 VanDerWaalsContact CD1-O 3.25Å; I298-Q546 WeakPolarHBondContact CD1-O 3.49Å; I298-Q546 HydrophobicContact CG1-CB 3.66Å; I298-Q546 HydrophobicContact CG1-CG 4.3Å; I298-Q546 WeakPolarHBondContact CG1-O 3.45Å; L301-Q546 HydrophobicContact CD1-CG 3.93Å; E542-Q546 PolarHBondContact O-N 3.31Å; E542-Q546 VanDerWaalsContact O-N 3.07Å; V543-Q546 CarbonylContact O-C 3.55Å; V543-Q546 WeakPolarHBondContact O-CA 3.44Å; V543-Q546 WeakPolarHBondContact O-CB 3.49Å; V543-Q546 PolarHBondContact O-N 2.93Å; Q544-Q546 CarbonylContact O-C 3.57Å; Q544-Q546 PolarHBondContact O-N 2.98Å; Q546-T549 WeakPolarHBondContact O-CA 3.36Å; Q546-T549 PolarHBondContact O-N 3.29Å
547L50.7Low59.8Low85 Ų8568.3 Ų68.345%0.44534%0.344SS..Hα-helixtrans-48.9-69.4-166.2-176.165.3000118.4V543 Q544 T549 V550V543-L547 PolarHBondContact O-N 2.81Å; Q544-L547 PolarHBondContact O-N 2.82Å; L547-T549 PolarHBondContact O-N 3.02Å; L547-V550 PolarHBondContact O-N 3.44Å
548N58.6Low60.2Low25 Ų2566.3 Ų66.313%0.13434%0.337CS..Hα-helixtrans-61.3-9.8-176.9-44-93.5000111.4T291 Q294 S295 V550 Q551 N552T291-N548 WeakPolarHBondContact CG2-OD1 3.2Å; T291-N548 WeakPolarHBondContact O-CB 3.47Å; T291-N548 PolarHBondContact O-ND2 2.91Å; Q294-N548 CarbonylContact O-C 3.55Å; Q294-N548 WeakPolarHBondContact O-CA 3.35Å; Q294-N548 WeakPolarHBondContact O-CB 3.5Å; Q294-N548 PolarHBondContact O-N 3.34Å; S295-N548 WeakPolarHBondContact OG-CB 3.34Å; S295-N548 PolarHBondContact OG-O 3.48Å; N548-V550 VanDerWaalsContact C-N 3.34Å; N548-V550 PolarHBondContact O-N 2.6Å; N548-Q551 HydrophobicContact CB-CB 4.2Å; N548-Q551 CarbonylContact O-C 3.59Å; N548-Q551 WeakPolarHBondContact O-CA 3.06Å; N548-Q551 WeakPolarHBondContact O-CB 3.5Å; N548-Q551 PolarHBondContact O-N 3.34Å; N548-N552 PolarHBondContact O-N 2.84Å
549T63.9Low60.3Low0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-39.2-55.9157.337.50000116.2Q294 S295 N296 E297 I298 K299 Q546 L547 Q551 N552 H553Q294-T549 VanDerWaalsContact C-OG1 3.32Å; Q294-T549 PolarHBondContact O-N 3.44Å; Q294-T549 PolarHBondContact O-OG1 3.02Å; S295-T549 VanDerWaalsContact C-CB 3.49Å; S295-T549 WeakPolarHBondContact CA-OG1 3.37Å; S295-T549 PolarHBondContact N-OG1 3.22Å; S295-T549 WeakPolarHBondContact O-CG2 3.4Å; N296-T549 WeakPolarHBondContact CA-OG1 3.37Å; N296-T549 VanDerWaalsContact N-CG2 3.34Å; N296-T549 PolarHBondContact N-OG1 3.49Å; E297-T549 PolarHBondContact N-OG1 2.82Å; I298-T549 VanDerWaalsContact N-CB 3.28Å; I298-T549 PolarHBondContact N-OG1 3.34Å; K299-T549 HydrophobicContact CB-CG2 3.55Å; K299-T549 HydrophobicContact CD-CG2 4.04Å; K299-T549 HydrophobicContact CG-CG2 3.6Å; Q546-T549 WeakPolarHBondContact O-CA 3.36Å; Q546-T549 PolarHBondContact O-N 3.29Å; L547-T549 PolarHBondContact O-N 3.02Å; T549-Q551 VanDerWaalsContact C-N 3.3Å; T549-N552 HydrophobicContact CG2-CB 3.75Å; T549-H553 PolarHBondContact O-N 3.19Å
550V44.9Very low60.5Low59 Ų5964.1 Ų64.136%0.35834%0.337SS..Hα-helixtrans-66.7-39.4174.8950000109.2I298 L547 N548 H553 L554I298-V550 HydrophobicContact CG2-CB 3.86Å; I298-V550 HydrophobicContact CG2-CG2 4.06Å; L547-V550 PolarHBondContact O-N 3.44Å; N548-V550 VanDerWaalsContact C-N 3.34Å; N548-V550 PolarHBondContact O-N 2.6Å; V550-H553 PolarHBondContact O-N 2.84Å; V550-L554 WeakPolarHBondContact O-CA 3.49Å; V550-L554 WeakPolarHBondContact O-CB 3.27Å; V550-L554 PolarHBondContact O-N 3.3Å
551Q53.7Low61.3Low98 Ų9863 Ų6346%0.45833%0.334SS..Hα-helixtrans-54.9-58.6178.4-157.186.47.900112.4N548 T549 H553 L554 E555N548-Q551 HydrophobicContact CB-CB 4.2Å; N548-Q551 CarbonylContact O-C 3.59Å; N548-Q551 WeakPolarHBondContact O-CA 3.06Å; N548-Q551 WeakPolarHBondContact O-CB 3.5Å; N548-Q551 PolarHBondContact O-N 3.34Å; T549-Q551 VanDerWaalsContact C-N 3.3Å; Q551-H553 PolarHBondContact O-N 2.86Å; Q551-L554 CarbonylContact O-C 3.59Å; Q551-L554 WeakPolarHBondContact O-CB 3.27Å; Q551-L554 PolarHBondContact O-N 2.7Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; Q551-E555 WeakPolarHBondContact O-CG 3.5Å; Q551-E555 PolarHBondContact O-N 2.77Å
552N65.3Low61.6Low47 Ų4767.4 Ų67.425%0.25135%0.354SS..Hα-helixtrans-68.7-18.2-175.3-122.72.1000112.9S295 K299 N548 T549 S556S295-N552 WeakPolarHBondContact CB-ND2 3.39Å; S295-N552 PolarHBondContact O-ND2 3.13Å; S295-N552 WeakPolarHBondContact OG-CB 3.3Å; S295-N552 PolarHBondContact OG-ND2 2.96Å; K299-N552 PolarHBondContact NZ-O 3.06Å; N548-N552 PolarHBondContact O-N 2.84Å; T549-N552 HydrophobicContact CG2-CB 3.75Å; N552-S556 PolarHBondContact O-OG 2.9Å
553H58.6Low61.8Low45 Ų4566.3 Ų66.321%0.20835%0.349CS..Hα-helixtrans-92.6-33.2169.9-116.1-3.1000112.7K299 T549 V550 Q551 E555 S556 T557K299-H553 VanDerWaalsContact CA-CD2 3.47Å; K299-H553 WeakPolarHBondContact CA-CD2 3.5Å; K299-H553 HydrophobicContact CG-CB 4.32Å; K299-H553 PolarHBondContact O-CD2 3.47Å; K299-H553 PolarHBondContact O-NE2 2.72Å; T549-H553 PolarHBondContact O-N 3.19Å; V550-H553 PolarHBondContact O-N 2.84Å; Q551-H553 PolarHBondContact O-N 2.86Å; H553-E555 VanDerWaalsContact C-N 3.27Å; H553-E555 PolarHBondContact O-N 2.91Å; H553-S556 CarbonylContact O-C 3.6Å; H553-S556 WeakPolarHBondContact O-CA 3.42Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 3.44Å; H553-T557 WeakPolarHBondContact O-CB 3.21Å; H553-T557 PolarHBondContact O-N 3.25Å; H553-T557 PolarHBondContact O-OG1 2.93Å; H553-T557 VanDerWaalsContact O-OG1 3.13Å
554L60.2Low62.8Low90 Ų9067.6 Ų67.647%0.47135%0.353SS..Hα-helixtrans-62.2-36.8169.5-171.867.8000110.3V550 Q551 T557 N558V550-L554 WeakPolarHBondContact O-CA 3.49Å; V550-L554 WeakPolarHBondContact O-CB 3.27Å; V550-L554 PolarHBondContact O-N 3.3Å; Q551-L554 CarbonylContact O-C 3.59Å; Q551-L554 WeakPolarHBondContact O-CB 3.27Å; Q551-L554 PolarHBondContact O-N 2.7Å; Q551-L554 VanDerWaalsContact O-N 3.11Å; L554-T557 PolarHBondContact O-N 3.03Å; L554-N558 WeakPolarHBondContact O-CA 3.21Å; L554-N558 WeakPolarHBondContact O-CB 3.45Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 PolarHBondContact O-OD1 3.38Å
555E65.3Low63.3Low109 Ų10969.9 Ų69.951%0.50936%0.363SS..Hα-helixtrans-67.1-34.7168.9-72.9175.1-159.800112.5Q551 H553 A559Q551-E555 WeakPolarHBondContact O-CG 3.5Å; Q551-E555 PolarHBondContact O-N 2.77Å; H553-E555 VanDerWaalsContact C-N 3.27Å; H553-E555 PolarHBondContact O-N 2.91Å; E555-A559 VanDerWaalsContact O-CB 3.25Å; E555-A559 WeakPolarHBondContact O-CB 3.12Å; E555-A559 PolarHBondContact O-N 2.92Å
556S67.7Low63.8Low46 Ų4672.4 Ų72.432%0.32238%0.379SS..Hα-helixtrans-70.6-39174.5-53.80000112N552 H553 L560N552-S556 PolarHBondContact O-OG 2.9Å; H553-S556 CarbonylContact O-C 3.6Å; H553-S556 WeakPolarHBondContact O-CA 3.42Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 3.44Å; S556-L560 WeakPolarHBondContact O-CG 3.47Å; S556-L560 PolarHBondContact O-N 3.45Å
557T66.5Low64.8Low54 Ų5473.8 Ų73.833%0.33138%0.384SS..Hα-helixtrans-79-30.4179.5-61.20000110.9H553 L554 L560 K561H553-T557 WeakPolarHBondContact O-CB 3.21Å; H553-T557 PolarHBondContact O-N 3.25Å; H553-T557 PolarHBondContact O-OG1 2.93Å; H553-T557 VanDerWaalsContact O-OG1 3.13Å; L554-T557 PolarHBondContact O-N 3.03Å; T557-L560 CarbonylContact O-C 3.54Å; T557-L560 PolarHBondContact O-N 3.19Å; T557-K561 WeakPolarHBondContact O-CB 3.31Å; T557-K561 PolarHBondContact O-N 3.45Å
558N64.8Low65.7Low68 Ų6874 Ų7436%0.36438%0.384SS..Hα-helixtrans-70.3-40.8168-75.1-6.6000110.7L554 L560 K561 E562L554-N558 WeakPolarHBondContact O-CA 3.21Å; L554-N558 WeakPolarHBondContact O-CB 3.45Å; L554-N558 PolarHBondContact O-N 3.47Å; L554-N558 PolarHBondContact O-OD1 3.38Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 3.48Å; N558-K561 CarbonylContact O-C 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.37Å; N558-K561 PolarHBondContact O-N 3.01Å; N558-K561 VanDerWaalsContact O-N 3.15Å; N558-E562 WeakPolarHBondContact O-CB 3.38Å; N558-E562 WeakPolarHBondContact O-CG 3.47Å; N558-E562 PolarHBondContact O-N 3.44Å
559A70.7Confident66.4Low53 Ų5377 Ų7744%0.43840%0.404SS..Hα-helixtrans-62.6-3617100000112.2E555 E563E555-A559 VanDerWaalsContact O-CB 3.25Å; E555-A559 WeakPolarHBondContact O-CB 3.12Å; E555-A559 PolarHBondContact O-N 2.92Å; A559-E563 WeakPolarHBondContact O-CB 3.21Å; A559-E563 PolarHBondContact O-N 2.75Å
560L69.7Low66.9Low95 Ų9581.1 Ų81.150%0.49743%0.426SS..Hα-helixtrans-73.1-32171.6-79166.4000113.2S556 T557 N558 E563 L564S556-L560 WeakPolarHBondContact O-CG 3.47Å; S556-L560 PolarHBondContact O-N 3.45Å; T557-L560 CarbonylContact O-C 3.54Å; T557-L560 PolarHBondContact O-N 3.19Å; N558-L560 VanDerWaalsContact C-N 3.3Å; N558-L560 PolarHBondContact O-N 3.48Å; L560-E563 PolarHBondContact O-N 3.02Å; L560-L564 VanDerWaalsContact O-CB 3.25Å; L560-L564 WeakPolarHBondContact O-CB 3.46Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.29Å; L560-L564 PolarHBondContact O-N 2.92Å
561K69.7Low68Low100 Ų10083.8 Ų83.844%0.43544%0.437SS..Hα-helixtrans-68.1-45172.7176.1-176.9170.2-68.40110.1T557 N558 L564 E565T557-K561 WeakPolarHBondContact O-CB 3.31Å; T557-K561 PolarHBondContact O-N 3.45Å; N558-K561 CarbonylContact O-C 3.31Å; N558-K561 WeakPolarHBondContact O-CB 3.37Å; N558-K561 PolarHBondContact O-N 3.01Å; N558-K561 VanDerWaalsContact O-N 3.15Å; K561-L564 CarbonylContact O-C 3.53Å; K561-L564 PolarHBondContact O-N 3.23Å; K561-E565 WeakPolarHBondContact CE-OE1 3.46Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.44Å; K561-E565 IonicContact NZ-OE2 2.57Å; K561-E565 PolarHBondContact NZ-OE2 3.19Å; K561-E565 VanDerWaalsContact O-CB 3.27Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 VanDerWaalsContact O-CG 3.28Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 3.09Å
562E70.9Confident68.9Low123 Ų12383.8 Ų83.858%0.57544%0.44SS*.Hα-helixtrans-61.9-43170.9-74.9174.3-155.700110.9N558 L564 E565 V566N558-E562 WeakPolarHBondContact O-CB 3.38Å; N558-E562 WeakPolarHBondContact O-CG 3.47Å; N558-E562 PolarHBondContact O-N 3.44Å; E562-L564 VanDerWaalsContact C-N 3.28Å; E562-L564 PolarHBondContact O-N 3.23Å; E562-E565 PolarHBondContact O-N 2.77Å; E562-V566 VanDerWaalsContact O-CB 3.29Å; E562-V566 WeakPolarHBondContact O-CB 3.49Å; E562-V566 VanDerWaalsContact O-CG2 3.25Å; E562-V566 WeakPolarHBondContact O-CG2 3.25Å; E562-V566 PolarHBondContact O-N 2.89Å
563E71Confident69.4Low96 Ų9686.7 Ų86.745%0.44945%0.45SS..Hα-helixtrans-65.1-34.2174.7-151.9-155.2166.900111.5A559 L560 K567A559-E563 WeakPolarHBondContact O-CB 3.21Å; A559-E563 PolarHBondContact O-N 2.75Å; L560-E563 PolarHBondContact O-N 3.02Å; E563-K567 VanDerWaalsContact O-CB 3.32Å; E563-K567 WeakPolarHBondContact O-CB 3.17Å; E563-K567 VanDerWaalsContact O-CD 3.25Å; E563-K567 WeakPolarHBondContact O-CD 3.19Å; E563-K567 WeakPolarHBondContact O-CG 3.38Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.44Å; E563-K567 IonicContact OE1-NZ 3.43Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; E563-K567 IonicContact OE2-NZ 2.71Å; E563-K567 PolarHBondContact OE2-NZ 2.88Å
564L69.8Low70.2Confident98 Ų9888 Ų8851%0.51346%0.461SS..Hα-helixtrans-74.1-35.2173.2-79.8166.8000112.7L560 K561 E562 K567 I568L560-L564 VanDerWaalsContact O-CB 3.25Å; L560-L564 WeakPolarHBondContact O-CB 3.46Å; L560-L564 VanDerWaalsContact O-CG 3.25Å; L560-L564 WeakPolarHBondContact O-CG 3.29Å; L560-L564 PolarHBondContact O-N 2.92Å; K561-L564 CarbonylContact O-C 3.53Å; K561-L564 PolarHBondContact O-N 3.23Å; E562-L564 VanDerWaalsContact C-N 3.28Å; E562-L564 PolarHBondContact O-N 3.23Å; L564-K567 CarbonylContact O-C 3.58Å; L564-K567 PolarHBondContact O-N 3.03Å; L564-I568 VanDerWaalsContact O-CB 3.27Å; L564-I568 WeakPolarHBondContact O-CB 3.31Å; L564-I568 WeakPolarHBondContact O-CD1 3.31Å; L564-I568 WeakPolarHBondContact O-CG1 3.27Å; L564-I568 PolarHBondContact O-N 3.5Å
565E65.7Low70.6Confident82 Ų8288.1 Ų88.138%0.38346%0.46SS..Hα-helixtrans-76.6-33.2178.2-78.6170.6166.800111K561 E562 I568 T569K561-E565 WeakPolarHBondContact CE-OE1 3.46Å; K561-E565 HydrophobicContact CG-CG 4.37Å; K561-E565 IonicContact NZ-OE1 2.69Å; K561-E565 PolarHBondContact NZ-OE1 3.44Å; K561-E565 IonicContact NZ-OE2 2.57Å; K561-E565 PolarHBondContact NZ-OE2 3.19Å; K561-E565 VanDerWaalsContact O-CB 3.27Å; K561-E565 WeakPolarHBondContact O-CB 3.42Å; K561-E565 VanDerWaalsContact O-CG 3.28Å; K561-E565 WeakPolarHBondContact O-CG 3.32Å; K561-E565 PolarHBondContact O-N 3.09Å; E562-E565 PolarHBondContact O-N 2.77Å; E565-I568 PolarHBondContact O-N 2.91Å; E565-T569 WeakPolarHBondContact O-CB 3.35Å; E565-T569 PolarHBondContact O-N 3.46Å; E565-T569 PolarHBondContact O-OG1 3.32Å
566V77.2Confident71Confident87 Ų8785.7 Ų85.753%0.52746%0.455SS..Hα-helixtrans-65.8-44.71651700000110E562 I568 T569 D570E562-V566 VanDerWaalsContact O-CB 3.29Å; E562-V566 WeakPolarHBondContact O-CB 3.49Å; E562-V566 VanDerWaalsContact O-CG2 3.25Å; E562-V566 WeakPolarHBondContact O-CG2 3.25Å; E562-V566 PolarHBondContact O-N 2.89Å; V566-I568 PolarHBondContact O-N 3.16Å; V566-T569 PolarHBondContact O-N 2.72Å; V566-D570 WeakPolarHBondContact O-CB 3.45Å; V566-D570 PolarHBondContact O-N 3.18Å
567K76.1Confident71.2Confident90 Ų9087.7 Ų87.739%0.39146%0.459SS..Hα-helixtrans-64.6-35.7174.2-75.3162.3-168.4164.20112.9E563 L564 L571E563-K567 VanDerWaalsContact O-CB 3.32Å; E563-K567 WeakPolarHBondContact O-CB 3.17Å; E563-K567 VanDerWaalsContact O-CD 3.25Å; E563-K567 WeakPolarHBondContact O-CD 3.19Å; E563-K567 WeakPolarHBondContact O-CG 3.38Å; E563-K567 PolarHBondContact O-N 3.39Å; E563-K567 WeakPolarHBondContact OE1-CE 3.44Å; E563-K567 IonicContact OE1-NZ 3.43Å; E563-K567 PolarHBondContact OE1-NZ 3.36Å; E563-K567 IonicContact OE2-NZ 2.71Å; E563-K567 PolarHBondContact OE2-NZ 2.88Å; L564-K567 CarbonylContact O-C 3.58Å; L564-K567 PolarHBondContact O-N 3.03Å; K567-L571 WeakPolarHBondContact O-CB 3.21Å; K567-L571 WeakPolarHBondContact O-CD1 3.17Å; K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 2.92Å
568I70.2Confident71.4Confident89 Ų8989.8 Ų89.846%0.45647%0.468SS..Hα-helixtrans-72.2-38174.9-74.3162.3000109.7L564 E565 V566 L571 L572L564-I568 VanDerWaalsContact O-CB 3.27Å; L564-I568 WeakPolarHBondContact O-CB 3.31Å; L564-I568 WeakPolarHBondContact O-CD1 3.31Å; L564-I568 WeakPolarHBondContact O-CG1 3.27Å; L564-I568 PolarHBondContact O-N 3.5Å; E565-I568 PolarHBondContact O-N 2.91Å; V566-I568 PolarHBondContact O-N 3.16Å; I568-L571 CarbonylContact O-C 3.55Å; I568-L571 PolarHBondContact O-N 3.01Å; I568-L572 HydrophobicContact CG2-CD1 3.83Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CB 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.44Å; I568-L572 PolarHBondContact O-N 3.16Å
569T72Confident71.3Confident89 Ų8992 Ų9255%0.54648%0.475SS..Hα-helixtrans-67.9-40.4174.4-60.20000111.2E565 V566 L572 K573E565-T569 WeakPolarHBondContact O-CB 3.35Å; E565-T569 PolarHBondContact O-N 3.46Å; E565-T569 PolarHBondContact O-OG1 3.32Å; V566-T569 PolarHBondContact O-N 2.72Å; T569-L572 PolarHBondContact O-N 3.43Å; T569-K573 WeakPolarHBondContact O-CB 3.4Å; T569-K573 PolarHBondContact O-N 3.44Å
570D74.2Confident71.2Confident85 Ų8593 Ų9346%0.45548%0.477SS..Hα-helixtrans-68.8-35.1171.8-89.9-26.4000111.7V566 K573 V574V566-D570 WeakPolarHBondContact O-CB 3.45Å; V566-D570 PolarHBondContact O-N 3.18Å; D570-K573 PolarHBondContact O-N 3.44Å; D570-V574 VanDerWaalsContact O-CB 3.24Å; D570-V574 WeakPolarHBondContact O-CB 3.38Å; D570-V574 WeakPolarHBondContact O-CG2 3.23Å; D570-V574 PolarHBondContact O-N 3.35Å
571L69.9Low71.1Confident116 Ų11693.3 Ų93.361%0.60748%0.477SS*.Hα-helixtrans-70.3-37.6172.8-79.7167.8000112.4K567 I568 V574 Q575K567-L571 WeakPolarHBondContact O-CB 3.21Å; K567-L571 WeakPolarHBondContact O-CD1 3.17Å; K567-L571 WeakPolarHBondContact O-CG 3.43Å; K567-L571 PolarHBondContact O-N 2.92Å; I568-L571 CarbonylContact O-C 3.55Å; I568-L571 PolarHBondContact O-N 3.01Å; L571-V574 CarbonylContact O-C 3.58Å; L571-V574 PolarHBondContact O-N 3.01Å; L571-Q575 VanDerWaalsContact O-CB 3.22Å; L571-Q575 WeakPolarHBondContact O-CB 3.45Å; L571-Q575 PolarHBondContact O-N 3.29Å
572L72Confident70.8Confident97 Ų9792.3 Ų92.351%0.50848%0.479SS..Hα-helixtrans-71.5-33.5173.6-76.2171.2000111.2I568 T569 Q575 S576I568-L572 HydrophobicContact CG2-CD1 3.83Å; I568-L572 HydrophobicContact CG2-CG 4.26Å; I568-L572 VanDerWaalsContact O-CB 3.23Å; I568-L572 WeakPolarHBondContact O-CB 3.32Å; I568-L572 WeakPolarHBondContact O-CG 3.44Å; I568-L572 PolarHBondContact O-N 3.16Å; T569-L572 PolarHBondContact O-N 3.43Å; L572-Q575 CarbonylContact O-C 3.56Å; L572-Q575 PolarHBondContact O-N 2.84Å; L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 3.33Å
573K76.2Confident70.4Confident108 Ų10889.6 Ų89.647%0.4747%0.474SS..Hα-helixtrans-68.5-47170.7-179.7-174.7169.3-163.40110.5T569 D570 Q575 S576 E577T569-K573 WeakPolarHBondContact O-CB 3.4Å; T569-K573 PolarHBondContact O-N 3.44Å; D570-K573 PolarHBondContact O-N 3.44Å; K573-Q575 VanDerWaalsContact C-N 3.26Å; K573-Q575 PolarHBondContact O-N 3.44Å; K573-S576 CarbonylContact O-C 3.51Å; K573-S576 WeakPolarHBondContact O-CA 3.38Å; K573-S576 WeakPolarHBondContact O-CB 3.47Å; K573-S576 PolarHBondContact O-N 3.33Å; K573-S576 PolarHBondContact O-OG 3.44Å; K573-E577 VanDerWaalsContact CE-OE1 3.25Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CB 3.24Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.01Å
574V74.9Confident69.8Low72 Ų7289.5 Ų89.544%0.43648%0.476SS..Hα-helixtrans-62-34.1172.7164.90000111D570 L571 E577 L578D570-V574 VanDerWaalsContact O-CB 3.24Å; D570-V574 WeakPolarHBondContact O-CB 3.38Å; D570-V574 WeakPolarHBondContact O-CG2 3.23Å; D570-V574 PolarHBondContact O-N 3.35Å; L571-V574 CarbonylContact O-C 3.58Å; L571-V574 PolarHBondContact O-N 3.01Å; V574-E577 CarbonylContact O-C 3.58Å; V574-E577 PolarHBondContact O-N 3.05Å; V574-L578 HydrophobicContact CG1-CD1 4.19Å; V574-L578 VanDerWaalsContact O-CB 3.28Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 PolarHBondContact O-N 3.44Å
575Q68.6Low69.1Low94 Ų9489.2 Ų89.244%0.43948%0.475SS..Hα-helixtrans-67.3-41.7170.1-177.7177.4-24.700110.8L571 L572 K573 E577 L578 E579L571-Q575 VanDerWaalsContact O-CB 3.22Å; L571-Q575 WeakPolarHBondContact O-CB 3.45Å; L571-Q575 PolarHBondContact O-N 3.29Å; L572-Q575 CarbonylContact O-C 3.56Å; L572-Q575 PolarHBondContact O-N 2.84Å; K573-Q575 VanDerWaalsContact C-N 3.26Å; K573-Q575 PolarHBondContact O-N 3.44Å; Q575-E577 VanDerWaalsContact C-N 3.31Å; Q575-E577 PolarHBondContact O-N 2.99Å; Q575-L578 CarbonylContact O-C 3.59Å; Q575-L578 PolarHBondContact O-N 3.3Å; Q575-E579 HydrophobicContact CG-CG 4.3Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.29Å; Q575-E579 PolarHBondContact NE2-OE1 3.39Å; Q575-E579 VanDerWaalsContact O-CB 3.32Å; Q575-E579 WeakPolarHBondContact O-CB 3.39Å; Q575-E579 WeakPolarHBondContact O-CG 3.47Å; Q575-E579 PolarHBondContact O-N 3.46Å
576S73Confident68.6Low58 Ų5892.7 Ų92.741%0.40649%0.489SS..Hα-helixtrans-66.3-33.5174.284.90000112.1L572 K573 T580L572-S576 WeakPolarHBondContact O-CB 3.43Å; L572-S576 PolarHBondContact O-N 3.33Å; K573-S576 CarbonylContact O-C 3.51Å; K573-S576 WeakPolarHBondContact O-CA 3.38Å; K573-S576 WeakPolarHBondContact O-CB 3.47Å; K573-S576 PolarHBondContact O-N 3.33Å; K573-S576 PolarHBondContact O-OG 3.44Å; S576-T580 VanDerWaalsContact O-CB 3.3Å; S576-T580 WeakPolarHBondContact O-CB 3.34Å; S576-T580 VanDerWaalsContact O-CG2 3.28Å; S576-T580 WeakPolarHBondContact O-CG2 3.48Å; S576-T580 PolarHBondContact O-N 2.88Å; S576-T580 PolarHBondContact O-OG1 2.72Å
577E72.5Confident67.5Low88 Ų8895.1 Ų95.141%0.41149%0.494SS..Hα-helixtrans-72.4-34.4172.5-71.3179-160.700111.1K573 V574 Q575 T580 M581K573-E577 VanDerWaalsContact CE-OE1 3.25Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CB 3.24Å; K573-E577 WeakPolarHBondContact O-CG 3.32Å; K573-E577 PolarHBondContact O-N 3.01Å; V574-E577 CarbonylContact O-C 3.58Å; V574-E577 PolarHBondContact O-N 3.05Å; Q575-E577 VanDerWaalsContact C-N 3.31Å; Q575-E577 PolarHBondContact O-N 2.99Å; E577-T580 WeakPolarHBondContact CA-OG1 3.32Å; E577-T580 PolarHBondContact O-OG1 3.15Å; E577-M581 HydrophobicContact CB-CE 4.38Å; E577-M581 WeakPolarHBondContact O-CB 3.36Å; E577-M581 WeakPolarHBondContact O-CE 3.3Å; E577-M581 WeakPolarHBondContact O-CG 3.39Å; E577-M581 PolarHBondContact O-N 3.4Å
578L70.7Confident66.5Low98 Ų9894.9 Ų94.951%0.51350%0.497SS..Hα-helixtrans-71.5-39.2170.8-99.7156.7000112.6V574 Q575 M581 V582V574-L578 HydrophobicContact CG1-CD1 4.19Å; V574-L578 VanDerWaalsContact O-CB 3.28Å; V574-L578 WeakPolarHBondContact O-CB 3.45Å; V574-L578 PolarHBondContact O-N 3.44Å; Q575-L578 CarbonylContact O-C 3.59Å; Q575-L578 PolarHBondContact O-N 3.3Å; L578-M581 CarbonylContact O-C 3.55Å; L578-M581 PolarHBondContact O-N 2.72Å; L578-V582 VanDerWaalsContact O-CB 3.28Å; L578-V582 WeakPolarHBondContact O-CB 3.39Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.97Å
579E63.5Low65.7Low113 Ų11396.6 Ų96.653%0.52850%0.503SS..Hα-helixtrans-73.8-39.4178.2-77.2-179.4-160.700111Q575 V582 S583Q575-E579 HydrophobicContact CG-CG 4.3Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.29Å; Q575-E579 PolarHBondContact NE2-OE1 3.39Å; Q575-E579 VanDerWaalsContact O-CB 3.32Å; Q575-E579 WeakPolarHBondContact O-CB 3.39Å; Q575-E579 WeakPolarHBondContact O-CG 3.47Å; Q575-E579 PolarHBondContact O-N 3.46Å; E579-V582 PolarHBondContact O-N 2.8Å; E579-S583 VanDerWaalsContact O-CB 3.26Å; E579-S583 WeakPolarHBondContact O-CB 3.38Å; E579-S583 PolarHBondContact O-N 2.85Å
580T68.4Low65Low76 Ų7696.4 Ų96.447%0.46650%0.498SS..Hα-helixtrans-69.2-34.5168.555.30000111.6S576 E577 S583 N584S576-T580 VanDerWaalsContact O-CB 3.3Å; S576-T580 WeakPolarHBondContact O-CB 3.34Å; S576-T580 VanDerWaalsContact O-CG2 3.28Å; S576-T580 WeakPolarHBondContact O-CG2 3.48Å; S576-T580 PolarHBondContact O-N 2.88Å; S576-T580 PolarHBondContact O-OG1 2.72Å; E577-T580 WeakPolarHBondContact CA-OG1 3.32Å; E577-T580 PolarHBondContact O-OG1 3.15Å; T580-S583 PolarHBondContact O-N 3.47Å; T580-N584 WeakPolarHBondContact O-CB 3.43Å; T580-N584 PolarHBondContact O-N 3.44Å; T580-N584 PolarHBondContact O-ND2 2.8Å
581M67.1Low64.3Low100 Ų10099.2 Ų99.249%0.49351%0.507SS..Hα-helixtrans-67.5-33.8168.5-82.3-170.9-84.800113E577 L578 N585E577-M581 HydrophobicContact CB-CE 4.38Å; E577-M581 WeakPolarHBondContact O-CB 3.36Å; E577-M581 WeakPolarHBondContact O-CE 3.3Å; E577-M581 WeakPolarHBondContact O-CG 3.39Å; E577-M581 PolarHBondContact O-N 3.4Å; L578-M581 CarbonylContact O-C 3.55Å; L578-M581 PolarHBondContact O-N 2.72Å; M581-N585 WeakPolarHBondContact O-CB 3.46Å; M581-N585 PolarHBondContact O-N 3.21Å; M581-N585 PolarHBondContact O-ND2 3.41Å
582V63.5Low63.4Low79 Ų7996.9 Ų96.948%0.47950%0.495SS..Hα-helixtrans-73.2-34.5174.7163.20000111L578 E579 N585 K586L578-V582 VanDerWaalsContact O-CB 3.28Å; L578-V582 WeakPolarHBondContact O-CB 3.39Å; L578-V582 WeakPolarHBondContact O-CG2 3.34Å; L578-V582 PolarHBondContact O-N 2.97Å; E579-V582 PolarHBondContact O-N 2.8Å; V582-N585 PolarHBondContact O-N 2.94Å; V582-K586 PolarHBondContact O-N 3.3Å
583S61.6Low62.9Low67 Ų6798.2 Ų98.247%0.46950%0.496SS..Hα-helixtrans-69.8-42.2172-162.70000111.6E579 T580 K586 Q587E579-S583 VanDerWaalsContact O-CB 3.26Å; E579-S583 WeakPolarHBondContact O-CB 3.38Å; E579-S583 PolarHBondContact O-N 2.85Å; T580-S583 PolarHBondContact O-N 3.47Å; S583-K586 WeakPolarHBondContact O-CB 3.29Å; S583-K586 PolarHBondContact O-N 3.38Å; S583-Q587 PolarHBondContact O-N 3.06Å; S583-Q587 VanDerWaalsContact O-N 3.12Å
584N57.9Low62Low94 Ų9499.2 Ų99.250%0.50350%0.503SS..Hα-helixtrans-66.7-35171.5-73.1-33.4000111.9T580 Q587 L588T580-N584 WeakPolarHBondContact O-CB 3.43Å; T580-N584 PolarHBondContact O-N 3.44Å; T580-N584 PolarHBondContact O-ND2 2.8Å; N584-Q587 CarbonylContact O-C 3.49Å; N584-Q587 WeakPolarHBondContact O-CA 2.95Å; N584-Q587 WeakPolarHBondContact O-CB 3.44Å; N584-Q587 PolarHBondContact O-N 2.86Å; N584-Q587 VanDerWaalsContact O-N 3.14Å; N584-L588 PolarHBondContact O-N 2.96Å
585N55.3Low60.9Low91 Ų91101.2 Ų101.249%0.48751%0.51SS..Hα-helixtrans-71.1-29.8172.5-79.8-40.8000112.3M581 V582 Q587 L588 H589M581-N585 WeakPolarHBondContact O-CB 3.46Å; M581-N585 PolarHBondContact O-N 3.21Å; M581-N585 PolarHBondContact O-ND2 3.41Å; V582-N585 PolarHBondContact O-N 2.94Å; N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.1Å; N585-L588 PolarHBondContact O-N 3.12Å; N585-H589 WeakPolarHBondContact O-CB 3.31Å; N585-H589 PolarHBondContact O-N 2.8Å
586K56.4Low60.4Low155 Ų155103.3 Ų103.367%0.67452%0.523SS*.Hα-helixtrans-61.4-37.8165.3-83.9175.8176.2170.90111.6V582 S583V582-K586 PolarHBondContact O-N 3.3Å; S583-K586 WeakPolarHBondContact O-CB 3.29Å; S583-K586 PolarHBondContact O-N 3.38Å
587Q53.8Low59.6Low138 Ų138108.7 Ų108.765%0.64554%0.539SS*.Hα-helixtrans-72.3-32.4171.1-64.2-165.910.700113.4S583 N584 N585 H589 K591S583-Q587 PolarHBondContact O-N 3.06Å; S583-Q587 VanDerWaalsContact O-N 3.12Å; N584-Q587 CarbonylContact O-C 3.49Å; N584-Q587 WeakPolarHBondContact O-CA 2.95Å; N584-Q587 WeakPolarHBondContact O-CB 3.44Å; N584-Q587 PolarHBondContact O-N 2.86Å; N584-Q587 VanDerWaalsContact O-N 3.14Å; N585-Q587 VanDerWaalsContact C-N 3.3Å; N585-Q587 PolarHBondContact O-N 3.1Å; Q587-H589 VanDerWaalsContact C-N 3.34Å; Q587-K591 PolarHBondContact O-N 3.44Å
588L54.2Low58.7Low86 Ų86111.9 Ų111.945%0.4555%0.554SS.*Hα-helixtrans-65.7-39.1174.5-146.983.9000111N584 N585 D590 K591 D592N584-L588 PolarHBondContact O-N 2.96Å; N585-L588 PolarHBondContact O-N 3.12Å; L588-D590 PolarHBondContact O-N 3.41Å; L588-K591 CarbonylContact O-C 3.56Å; L588-K591 WeakPolarHBondContact O-CA 3.47Å; L588-K591 WeakPolarHBondContact O-CB 3.28Å; L588-K591 PolarHBondContact O-N 2.79Å; L588-D592 PolarHBondContact O-N 3.24Å
589H55Low57.6Low124 Ų124114.7 Ų114.757%0.57457%0.569SS**Hα-helixtrans-63.3-26.5-177.3-150.9-29.2000113.5N585 Q587 K593N585-H589 WeakPolarHBondContact O-CB 3.31Å; N585-H589 PolarHBondContact O-N 2.8Å; Q587-H589 VanDerWaalsContact C-N 3.34Å; H589-K593 WeakPolarHBondContact O-CG 3.33Å; H589-K593 PolarHBondContact O-N 3.33Å
590D57.3Low56.7Low85 Ų85113.1 Ų113.146%0.45557%0.567SS.*Hα-helixtrans-85.5-20.7171.4-82.3-16.7000113.5L588 K593 Q594L588-D590 PolarHBondContact O-N 3.41Å; D590-K593 WeakPolarHBondContact OD1-CD 3.49Å; D590-K593 WeakPolarHBondContact OD1-CE 3.31Å; D590-K593 IonicContact OD1-NZ 2.72Å; D590-K593 PolarHBondContact OD1-NZ 2.72Å; D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.09Å
591K57.8Low56.1Low144 Ų144112 Ų11263%0.62656%0.558SS**Hα-helixtrans-73.9-40.1166.1-82.9177.2175.8168.90111.9Q587 L588 K593 Q594 L595Q587-K591 PolarHBondContact O-N 3.44Å; L588-K591 CarbonylContact O-C 3.56Å; L588-K591 WeakPolarHBondContact O-CA 3.47Å; L588-K591 WeakPolarHBondContact O-CB 3.28Å; L588-K591 PolarHBondContact O-N 2.79Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.23Å; K591-Q594 CarbonylContact O-C 3.45Å; K591-Q594 WeakPolarHBondContact O-CA 2.95Å; K591-Q594 WeakPolarHBondContact O-CB 3.45Å; K591-Q594 PolarHBondContact O-N 3.04Å; K591-L595 PolarHBondContact O-N 3.38Å
592D52.5Low55.1Low68 Ų68115.3 Ų115.336%0.36457%0.572SS.*Hα-helixtrans-67.4-33.4175.6-71.6-33.4000112.1L588 Q594 L595 I596L588-D592 PolarHBondContact O-N 3.24Å; D592-Q594 PolarHBondContact O-N 2.92Å; D592-L595 PolarHBondContact O-N 3.04Å; D592-I596 WeakPolarHBondContact O-CB 3.13Å; D592-I596 VanDerWaalsContact O-CG1 3.28Å; D592-I596 WeakPolarHBondContact O-CG1 3.12Å; D592-I596 PolarHBondContact O-N 2.75Å
593K60.1Low54.5Low124 Ų124118.7 Ų118.754%0.53958%0.583SS.*Hα-helixtrans-60.2-28.2166.8-79.7178.9-161.8153.30113.7H589 D590 K591H589-K593 WeakPolarHBondContact O-CG 3.33Å; H589-K593 PolarHBondContact O-N 3.33Å; D590-K593 WeakPolarHBondContact OD1-CD 3.49Å; D590-K593 WeakPolarHBondContact OD1-CE 3.31Å; D590-K593 IonicContact OD1-NZ 2.72Å; D590-K593 PolarHBondContact OD1-NZ 2.72Å; K591-K593 VanDerWaalsContact C-N 3.33Å; K591-K593 PolarHBondContact O-N 3.23Å
594Q57.7Low53.9Low130 Ų130123 Ų12361%0.60760%0.6SS**Hα-helixtrans-81.7-38.3173.9-67.8178.224.100111.4D590 K591 D592 K597 H598D590-Q594 WeakPolarHBondContact O-CG 3.26Å; D590-Q594 PolarHBondContact O-N 3.09Å; K591-Q594 CarbonylContact O-C 3.45Å; K591-Q594 WeakPolarHBondContact O-CA 2.95Å; K591-Q594 WeakPolarHBondContact O-CB 3.45Å; K591-Q594 PolarHBondContact O-N 3.04Å; D592-Q594 PolarHBondContact O-N 2.92Å; Q594-K597 WeakPolarHBondContact O-CB 3.13Å; Q594-K597 PolarHBondContact O-N 3.48Å; Q594-H598 PolarHBondContact O-N 3.42Å
595L52.7Low53.6Low113 Ų113124.4 Ų124.459%0.59260%0.604SS**Hα-helixtrans-67.5-43.2179.3-159.271.2000112.3K591 D592 K597 H598 L599K591-L595 PolarHBondContact O-N 3.38Å; D592-L595 PolarHBondContact O-N 3.04Å; L595-K597 PolarHBondContact O-N 2.78Å; L595-H598 PolarHBondContact O-N 3.41Å; L595-L599 PolarHBondContact O-N 2.76Å
596I56.5Low53.7Low138 Ų138124.9 Ų124.971%0.70860%0.602SS**Hα-helixtrans-61.2-29.2175-69.3167.8000111.6D592D592-I596 WeakPolarHBondContact O-CB 3.13Å; D592-I596 VanDerWaalsContact O-CG1 3.28Å; D592-I596 WeakPolarHBondContact O-CG1 3.12Å; D592-I596 PolarHBondContact O-N 2.75Å
597K58Low53.5Low171 Ų171127.4 Ų127.474%0.74361%0.609SS**Hα-helixtrans-71.6-29.3173.3-108.9177.3177.8176.30113.4Q594 L595 T600Q594-K597 WeakPolarHBondContact O-CB 3.13Å; Q594-K597 PolarHBondContact O-N 3.48Å; L595-K597 PolarHBondContact O-N 2.78Å; K597-T600 PolarHBondContact O-OG1 2.79Å
598H52.6Low53.9Low155 Ų155124 Ų12472%0.71860%0.6SS**Hα-helixtrans-92.4-10.6-173.2-94.4-68000115.7Q594 L595 T600Q594-H598 PolarHBondContact O-N 3.42Å; L595-H598 PolarHBondContact O-N 3.41Å; H598-T600 PolarHBondContact O-N 3.27Å
599L47.8Very low54.2Low157 Ų157122.9 Ų122.982%0.82259%0.593SS**SBendtrans-74.844.5161.5-76.7165.5000111.3L595 N601L595-L599 PolarHBondContact O-N 2.76Å; L599-N601 PolarHBondContact O-N 2.84Å; L599-N601 VanDerWaalsContact O-N 3.14Å
600T45.2Very low54.5Low80 Ų80122.3 Ų122.349%0.49159%0.593SS.*  trans-65.2105.9-175.3-51.10000110.7K597 H598 E602K597-T600 PolarHBondContact O-OG1 2.79Å; H598-T600 PolarHBondContact O-N 3.27Å; T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.99Å
601N54.8Low55.1Low52 Ų52124.7 Ų124.728%0.27860%0.6SS.*  47.244.8125.1-141.5-25.3000115.9L599 K606 Q609L599-N601 PolarHBondContact O-N 2.84Å; L599-N601 VanDerWaalsContact O-N 3.14Å; N601-K606 WeakPolarHBondContact O-CD 3.49Å; N601-K606 WeakPolarHBondContact O-CE 3.17Å; N601-K606 PolarHBondContact O-NZ 3.01Å; N601-K606 WeakPolarHBondContact OD1-CA 3.28Å; N601-K606 WeakPolarHBondContact OD1-CB 3.34Å; N601-K606 WeakPolarHBondContact OD1-CG 3.35Å; N601-Q609 PolarHBondContact ND2-OE1 3.28Å
602E47.4Very low55.6Low171 Ų171122.4 Ų122.480%0.79959%0.594SS**  trans-109.347.8-177-159.8168.9-128.500112T600T600-E602 VanDerWaalsContact C-N 3.29Å; T600-E602 PolarHBondContact O-N 2.99Å
603Q50Low56.3Low149 Ų149124.6 Ų124.670%0.69660%0.602SS**SBend162.9-41.8114.7-85168.33700111.8
604N48.8Very low56.9Low157 Ų157126.2 Ų126.284%0.8461%0.606SS**SBendtrans-81.4-35.8-162.3-76.6-23.4000116.3K606N604-K606 VanDerWaalsContact C-N 3.34Å
605E51.2Low57.7Low124 Ų124123.4 Ų123.458%0.57960%0.595SS**SBendtrans-83.9-12.2178.3-135.9179.5-13900113Y607 S608 Q609E605-Y607 PolarHBondContact O-N 2.82Å; E605-Y607 VanDerWaalsContact O-N 3.08Å; E605-S608 PolarHBondContact O-N 3.17Å; E605-Q609 HydrophobicContact CB-CG 4.16Å; E605-Q609 HydrophobicContact CG-CG 3.98Å; E605-Q609 WeakPolarHBondContact O-CB 3.05Å; E605-Q609 WeakPolarHBondContact O-CG 3.49Å; E605-Q609 PolarHBondContact O-N 3.33Å; E605-Q609 PolarHBondContact OE2-NE2 3.06Å
606K58.4Low58.6Low102 Ų102122.9 Ų122.944%0.44359%0.593SS.*Hα-helixtrans-59.3-26.9-172.4-145.7165.2-156.3155.90114.6N601 N604N601-K606 WeakPolarHBondContact O-CD 3.49Å; N601-K606 WeakPolarHBondContact O-CE 3.17Å; N601-K606 PolarHBondContact O-NZ 3.01Å; N601-K606 WeakPolarHBondContact OD1-CA 3.28Å; N601-K606 WeakPolarHBondContact OD1-CB 3.34Å; N601-K606 WeakPolarHBondContact OD1-CG 3.35Å; N604-K606 VanDerWaalsContact C-N 3.34Å
607Y52.7Low59.4Low208 Ų208121.1 Ų121.182%0.81659%0.585SS**Hα-helixtrans-85-35.8173.2-101.8-87000113.3E605 F611E605-Y607 PolarHBondContact O-N 2.82Å; E605-Y607 VanDerWaalsContact O-N 3.08Å; Y607-F611 PolarHBondContact O-N 2.72Å
608S61.5Low60.1Low66 Ų66117.5 Ų117.546%0.46257%0.574SS.*Hα-helixtrans-76.8-38.9178.9-60.30000112E605 F611 N612E605-S608 PolarHBondContact O-N 3.17Å; S608-F611 PolarHBondContact O-N 3.23Å; S608-N612 VanDerWaalsContact O-CB 3.31Å; S608-N612 WeakPolarHBondContact O-CB 3.31Å; S608-N612 VanDerWaalsContact O-CG 3.31Å; S608-N612 PolarHBondContact O-N 2.81Å
609Q60.2Low61.2Low63 Ų63116.2 Ų116.229%0.29457%0.566SS.*Hα-helixtrans-60-51.1171.7-73.5-175.9-4.200110.3N601 E605 F611 N612 E613N601-Q609 PolarHBondContact ND2-OE1 3.28Å; E605-Q609 HydrophobicContact CB-CG 4.16Å; E605-Q609 HydrophobicContact CG-CG 3.98Å; E605-Q609 WeakPolarHBondContact O-CB 3.05Å; E605-Q609 WeakPolarHBondContact O-CG 3.49Å; E605-Q609 PolarHBondContact O-N 3.33Å; E605-Q609 PolarHBondContact OE2-NE2 3.06Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3Å; Q609-N612 CarbonylContact O-C 3.52Å; Q609-N612 PolarHBondContact O-N 3.37Å; Q609-N612 VanDerWaalsContact O-N 3.13Å; Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.34Å; Q609-E613 VanDerWaalsContact O-CG 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.5Å; Q609-E613 PolarHBondContact O-N 2.84Å
610L62Low62.2Low112 Ų112113.8 Ų113.859%0.58655%0.55SS**Hα-helixtrans-59-36.6178.2-97168.1000113.8Y614L610-Y614 WeakPolarHBondContact O-CB 3.25Å; L610-Y614 PolarHBondContact O-N 2.97Å
611F68.4Low63.4Low135 Ų135115.2 Ų115.259%0.59255%0.554SS**Hα-helixtrans-73.8-38.1176.2-169.5-101.6000112.4Y607 S608 Q609 N615Y607-F611 PolarHBondContact O-N 2.72Å; S608-F611 PolarHBondContact O-N 3.23Å; Q609-F611 VanDerWaalsContact C-N 3.3Å; Q609-F611 PolarHBondContact O-N 3Å; F611-N615 VanDerWaalsContact CE1-ND2 3.28Å; F611-N615 WeakPolarHBondContact CE1-ND2 3.5Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.47Å; F611-N615 PolarHBondContact O-N 2.99Å; F611-N615 VanDerWaalsContact O-N 3.13Å; F611-N615 PolarHBondContact O-ND2 2.86Å
612N68.3Low64.3Low96 Ų96118.4 Ų118.451%0.51357%0.571SS.*Hα-helixtrans-71.8-32.8174.2-74.1-16.1000112.1S608 Q609 N616S608-N612 VanDerWaalsContact O-CB 3.31Å; S608-N612 WeakPolarHBondContact O-CB 3.31Å; S608-N612 VanDerWaalsContact O-CG 3.31Å; S608-N612 PolarHBondContact O-N 2.81Å; Q609-N612 CarbonylContact O-C 3.52Å; Q609-N612 PolarHBondContact O-N 3.37Å; Q609-N612 VanDerWaalsContact O-N 3.13Å; N612-N616 WeakPolarHBondContact O-CA 3.08Å; N612-N616 WeakPolarHBondContact O-CB 3.44Å; N612-N616 PolarHBondContact O-N 3.1Å
613E67.9Low65.4Low113 Ų113113.5 Ų113.553%0.52855%0.55SS..Hα-helixtrans-67.1-44.5172.2-78.217815500110.5Q609 N615 N616 L617Q609-E613 VanDerWaalsContact O-CB 3.27Å; Q609-E613 WeakPolarHBondContact O-CB 3.34Å; Q609-E613 VanDerWaalsContact O-CG 3.28Å; Q609-E613 WeakPolarHBondContact O-CG 3.5Å; Q609-E613 PolarHBondContact O-N 2.84Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 2.76Å; E613-N616 PolarHBondContact O-N 2.91Å; E613-L617 WeakPolarHBondContact O-CA 3.42Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 PolarHBondContact O-N 3.28Å
614Y72.7Confident66.4Low158 Ų158110.2 Ų110.262%0.6254%0.537SS*.Hα-helixtrans-60.7-44.2175-176.1-95.5000111.9L610 N618L610-Y614 WeakPolarHBondContact O-CB 3.25Å; L610-Y614 PolarHBondContact O-N 2.97Å; Y614-N618 VanDerWaalsContact O-CB 3.3Å; Y614-N618 WeakPolarHBondContact O-CB 3.34Å; Y614-N618 PolarHBondContact O-N 3.31Å
615N75.6Confident67.6Low72 Ų72108 Ų10839%0.38553%0.525SS..Hα-helixtrans-72.5-38.9178.4-73-68.4000112.8F611 E613 K619F611-N615 VanDerWaalsContact CE1-ND2 3.28Å; F611-N615 WeakPolarHBondContact CE1-ND2 3.5Å; F611-N615 WeakPolarHBondContact CZ-ND2 3.47Å; F611-N615 PolarHBondContact O-N 2.99Å; F611-N615 VanDerWaalsContact O-N 3.13Å; F611-N615 PolarHBondContact O-ND2 2.86Å; E613-N615 VanDerWaalsContact C-N 3.35Å; E613-N615 PolarHBondContact O-N 2.76Å; N615-K619 WeakPolarHBondContact O-CB 3.4Å; N615-K619 PolarHBondContact O-N 2.69Å
616N71.3Confident68.7Low101 Ų101108.5 Ų108.554%0.5453%0.528SS..Hα-helixtrans-68.5-34.4173.6-83.1-17.7000112N612 E613 Q620N612-N616 WeakPolarHBondContact O-CA 3.08Å; N612-N616 WeakPolarHBondContact O-CB 3.44Å; N612-N616 PolarHBondContact O-N 3.1Å; E613-N616 PolarHBondContact O-N 2.91Å; N616-Q620 WeakPolarHBondContact O-CA 3.19Å; N616-Q620 WeakPolarHBondContact O-CB 3.49Å; N616-Q620 VanDerWaalsContact O-CG 3.23Å; N616-Q620 WeakPolarHBondContact O-CG 3.46Å; N616-Q620 PolarHBondContact O-N 2.91Å
617L72.4Confident69.2Low101 Ų101109.3 Ų109.353%0.52953%0.533SS..Hα-helixtrans-73.9-38177.4-170.371.4000110.9E613 L621E613-L617 WeakPolarHBondContact O-CA 3.42Å; E613-L617 WeakPolarHBondContact O-CB 3.43Å; E613-L617 PolarHBondContact O-N 3.28Å; L617-L621 WeakPolarHBondContact O-CB 3.36Å; L617-L621 PolarHBondContact O-N 2.94Å
618N73Confident70Confident96 Ų96104.5 Ų104.551%0.51352%0.521SS..Hα-helixtrans-70.2-35.4173.5-165.747.4000111.7Y614 L621 L622Y614-N618 VanDerWaalsContact O-CB 3.3Å; Y614-N618 WeakPolarHBondContact O-CB 3.34Å; Y614-N618 PolarHBondContact O-N 3.31Å; N618-L621 PolarHBondContact O-N 3.48Å; N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å
619K75.4Confident70.7Confident127 Ų127108.1 Ų108.155%0.55253%0.528SS*.Hα-helixtrans-70.1-44.1171.9-166.4-176.1175.1-169.40111.6N615 L621 L622 D623N615-K619 WeakPolarHBondContact O-CB 3.4Å; N615-K619 PolarHBondContact O-N 2.69Å; K619-L621 VanDerWaalsContact C-N 3.27Å; K619-L621 PolarHBondContact O-N 3.4Å; K619-L622 CarbonylContact O-C 3.59Å; K619-L622 PolarHBondContact O-N 2.91Å; K619-D623 WeakPolarHBondContact CE-OD2 3.23Å; K619-D623 WeakPolarHBondContact O-CB 3.36Å; K619-D623 VanDerWaalsContact O-CG 3.26Å; K619-D623 PolarHBondContact O-N 3.19Å
620Q69.1Low71.4Confident107 Ų107109.4 Ų109.450%0.554%0.536SS..Hα-helixtrans-59.4-35.7170.3-82.5-179.5-24.100111.4N616 L622 N624N616-Q620 WeakPolarHBondContact O-CA 3.19Å; N616-Q620 WeakPolarHBondContact O-CB 3.49Å; N616-Q620 VanDerWaalsContact O-CG 3.23Å; N616-Q620 WeakPolarHBondContact O-CG 3.46Å; N616-Q620 PolarHBondContact O-N 2.91Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 3.48Å; Q620-N624 WeakPolarHBondContact O-CA 3.18Å; Q620-N624 WeakPolarHBondContact O-CB 3.46Å; Q620-N624 PolarHBondContact O-N 3.09Å; Q620-N624 PolarHBondContact O-ND2 3.48Å; Q620-N624 PolarHBondContact O-OD1 2.68Å
621L70.3Confident71.8Confident110 Ų110107.8 Ų107.858%0.57653%0.526SS*.Hα-helixtrans-67.6-30.5174.5-93.5162.5000112.8L617 N618 K619 N625L617-L621 WeakPolarHBondContact O-CB 3.36Å; L617-L621 PolarHBondContact O-N 2.94Å; N618-L621 PolarHBondContact O-N 3.48Å; K619-L621 VanDerWaalsContact C-N 3.27Å; K619-L621 PolarHBondContact O-N 3.4Å; L621-N625 VanDerWaalsContact O-CB 3.29Å; L621-N625 WeakPolarHBondContact O-CB 3.43Å; L621-N625 PolarHBondContact O-N 2.87Å
622L74.5Confident71.9Confident118 Ų118107 Ų10762%0.61852%0.524SS*.Hα-helixtrans-77.7-51.3174-15672.3000111.2N618 K619 Q620 N624 N625 E626N618-L622 PolarHBondContact O-N 2.6Å; N618-L622 VanDerWaalsContact O-N 3.15Å; K619-L622 CarbonylContact O-C 3.59Å; K619-L622 PolarHBondContact O-N 2.91Å; Q620-L622 VanDerWaalsContact C-N 3.3Å; Q620-L622 PolarHBondContact O-N 3.48Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.76Å; L622-N625 PolarHBondContact O-N 3.21Å; L622-E626 PolarHBondContact O-N 2.88Å
623D70Confident72.3Confident68 Ų68107.2 Ų107.236%0.36453%0.525SS..Hα-helixtrans-61.1-38.5177.7-65-8000110.9K619 N625 Q627K619-D623 WeakPolarHBondContact CE-OD2 3.23Å; K619-D623 WeakPolarHBondContact O-CB 3.36Å; K619-D623 VanDerWaalsContact O-CG 3.26Å; K619-D623 PolarHBondContact O-N 3.19Å; D623-N625 VanDerWaalsContact C-N 3.34Å; D623-Q627 WeakPolarHBondContact O-CB 3.49Å; D623-Q627 VanDerWaalsContact O-CG 3.32Å; D623-Q627 WeakPolarHBondContact O-CG 3.23Å; D623-Q627 PolarHBondContact O-N 2.76Å
624N71.4Confident72.6Confident80 Ų80106.4 Ų106.443%0.42852%0.52SS..Hα-helixtrans-68.9-29.9173.9-72-15.5000112.1Q620 L622 L628Q620-N624 WeakPolarHBondContact O-CA 3.18Å; Q620-N624 WeakPolarHBondContact O-CB 3.46Å; Q620-N624 PolarHBondContact O-N 3.09Å; Q620-N624 PolarHBondContact O-ND2 3.48Å; Q620-N624 PolarHBondContact O-OD1 2.68Å; L622-N624 VanDerWaalsContact C-N 3.33Å; L622-N624 PolarHBondContact O-N 2.76Å; N624-L628 WeakPolarHBondContact O-CB 3.32Å; N624-L628 PolarHBondContact O-N 3.41Å
625N74.3Confident72.6Confident111 Ų111104.2 Ų104.259%0.59452%0.518SS*.Hα-helixtrans-79.2-35.8178.7-162.89.3000111L621 L622 D623 L628 K629L621-N625 VanDerWaalsContact O-CB 3.29Å; L621-N625 WeakPolarHBondContact O-CB 3.43Å; L621-N625 PolarHBondContact O-N 2.87Å; L622-N625 PolarHBondContact O-N 3.21Å; D623-N625 VanDerWaalsContact C-N 3.34Å; N625-L628 PolarHBondContact O-N 2.91Å; N625-K629 PolarHBondContact O-N 2.86Å; N625-K629 VanDerWaalsContact O-N 3.14Å
626E74.2Confident72.4Confident135 Ų135106 Ų10663%0.63153%0.525SS*.Hα-helixtrans-67.5-40.3165.8-66.4-150.5141.600111.7L622 L628 K629 I630L622-E626 PolarHBondContact O-N 2.88Å; E626-L628 PolarHBondContact O-N 3.5Å; E626-K629 CarbonylContact O-C 3.6Å; E626-K629 WeakPolarHBondContact O-CB 3.27Å; E626-K629 PolarHBondContact O-N 3.44Å; E626-K629 VanDerWaalsContact O-N 3.16Å; E626-I630 WeakPolarHBondContact O-CB 3.2Å; E626-I630 VanDerWaalsContact O-CG1 3.3Å; E626-I630 WeakPolarHBondContact O-CG1 3.36Å; E626-I630 PolarHBondContact O-N 3.5Å
627Q67.2Low72.6Confident119 Ų119105.7 Ų105.756%0.55652%0.524SS*.Hα-helixtrans-61.5-40.5171.4-79.6-170.99.700112.4D623 K629 I630 E631D623-Q627 WeakPolarHBondContact O-CB 3.49Å; D623-Q627 VanDerWaalsContact O-CG 3.32Å; D623-Q627 WeakPolarHBondContact O-CG 3.23Å; D623-Q627 PolarHBondContact O-N 2.76Å; Q627-K629 PolarHBondContact O-N 2.88Å; Q627-I630 CarbonylContact O-C 3.6Å; Q627-I630 PolarHBondContact O-N 2.97Å; Q627-E631 WeakPolarHBondContact O-CB 3.31Å; Q627-E631 WeakPolarHBondContact O-CG 3.26Å; Q627-E631 PolarHBondContact O-N 3.15Å
628L70.8Confident72.7Confident106 Ų106106.4 Ų106.456%0.55552%0.523SS*.Hα-helixtrans-62.9-32.8175.9-123149.5000111.6N624 N625 E626 Q632N624-L628 WeakPolarHBondContact O-CB 3.32Å; N624-L628 PolarHBondContact O-N 3.41Å; N625-L628 PolarHBondContact O-N 2.91Å; E626-L628 PolarHBondContact O-N 3.5Å; L628-Q632 WeakPolarHBondContact O-CB 3.22Å; L628-Q632 WeakPolarHBondContact O-CG 3.35Å; L628-Q632 PolarHBondContact O-N 3.26Å
629K75.6Confident72.8Confident142 Ų142104.3 Ų104.362%0.61752%0.516SS*.Hα-helixtrans-76.4-36.2175.6-152.5171.3-172.8178.10112.5N625 E626 Q627 N633N625-K629 PolarHBondContact O-N 2.86Å; N625-K629 VanDerWaalsContact O-N 3.14Å; E626-K629 CarbonylContact O-C 3.6Å; E626-K629 WeakPolarHBondContact O-CB 3.27Å; E626-K629 PolarHBondContact O-N 3.44Å; E626-K629 VanDerWaalsContact O-N 3.16Å; Q627-K629 PolarHBondContact O-N 2.88Å; K629-N633 PolarHBondContact O-N 3.45Å
630I73.9Confident72.9Confident90 Ų90102 Ų10246%0.46251%0.51SS..Hα-helixtrans-68.4-40.2171.9-69.9164.3000110.7E626 Q627 N633 K634E626-I630 WeakPolarHBondContact O-CB 3.2Å; E626-I630 VanDerWaalsContact O-CG1 3.3Å; E626-I630 WeakPolarHBondContact O-CG1 3.36Å; E626-I630 PolarHBondContact O-N 3.5Å; Q627-I630 CarbonylContact O-C 3.6Å; Q627-I630 PolarHBondContact O-N 2.97Å; I630-N633 PolarHBondContact O-N 3Å; I630-K634 HydrophobicContact CG2-CD 4.04Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 VanDerWaalsContact O-CG 3.29Å; I630-K634 WeakPolarHBondContact O-CG 3.34Å; I630-K634 PolarHBondContact O-N 3.29Å
631E70.5Confident73.2Confident79 Ų79102.5 Ų102.537%0.36951%0.512SS..Hα-helixtrans-72-32.5174.3-72.5-57.5140.600112.1Q627 K634 L635Q627-E631 WeakPolarHBondContact O-CB 3.31Å; Q627-E631 WeakPolarHBondContact O-CG 3.26Å; Q627-E631 PolarHBondContact O-N 3.15Å; E631-K634 VanDerWaalsContact CD-CD 3.49Å; E631-K634 PolarHBondContact O-N 2.8Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 WeakPolarHBondContact OE1-CE 3.33Å; E631-K634 IonicContact OE1-NZ 3.16Å; E631-K634 PolarHBondContact OE1-NZ 3.26Å; E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 VanDerWaalsContact O-CG 3.25Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.43Å
632Q70.8Confident73.3Confident118 Ų118102.8 Ų102.855%0.55151%0.513SS*.Hα-helixtrans-63.9-40.9167.9-84.3-175.5-15.200112.1L628 L635 M636L628-Q632 WeakPolarHBondContact O-CB 3.22Å; L628-Q632 WeakPolarHBondContact O-CG 3.35Å; L628-Q632 PolarHBondContact O-N 3.26Å; Q632-L635 PolarHBondContact O-N 3.48Å; Q632-M636 PolarHBondContact O-N 3.37Å
633N76.7Confident73.5Confident101 Ų101102.3 Ų102.354%0.5451%0.51SS..Hα-helixtrans-67.4-44.7174-73.3-6.2000111.4K629 I630 L635 M636 D637K629-N633 PolarHBondContact O-N 3.45Å; I630-N633 PolarHBondContact O-N 3Å; N633-L635 VanDerWaalsContact C-N 3.25Å; N633-L635 PolarHBondContact O-N 3.39Å; N633-M636 CarbonylContact O-C 3.57Å; N633-M636 WeakPolarHBondContact O-CA 3.36Å; N633-M636 WeakPolarHBondContact O-CB 3.47Å; N633-M636 PolarHBondContact O-N 2.79Å; N633-D637 PolarHBondContact O-N 3.15Å
634K75.7Confident73.9Confident95 Ų95103.9 Ų103.941%0.41352%0.517SS..Hα-helixtrans-60.9-30.7172-73.6163.1166173.90113I630 E631 K638I630-K634 HydrophobicContact CG2-CD 4.04Å; I630-K634 WeakPolarHBondContact O-CB 3.17Å; I630-K634 VanDerWaalsContact O-CG 3.29Å; I630-K634 WeakPolarHBondContact O-CG 3.34Å; I630-K634 PolarHBondContact O-N 3.29Å; E631-K634 VanDerWaalsContact CD-CD 3.49Å; E631-K634 PolarHBondContact O-N 2.8Å; E631-K634 WeakPolarHBondContact OE1-CD 3.26Å; E631-K634 WeakPolarHBondContact OE1-CE 3.33Å; E631-K634 IonicContact OE1-NZ 3.16Å; E631-K634 PolarHBondContact OE1-NZ 3.26Å; K634-K638 WeakPolarHBondContact O-CB 3.48Å; K634-K638 VanDerWaalsContact O-CG 3.23Å; K634-K638 WeakPolarHBondContact O-CG 3.35Å; K634-K638 PolarHBondContact O-N 3.21Å
635L71.4Confident74.1Confident112 Ų112103.3 Ų103.359%0.58652%0.517SS*.Hα-helixtrans-73.8-33.2173.2-82.9165000111.7E631 Q632 N633 S639E631-L635 WeakPolarHBondContact O-CB 3.26Å; E631-L635 VanDerWaalsContact O-CG 3.25Å; E631-L635 WeakPolarHBondContact O-CG 3.23Å; E631-L635 PolarHBondContact O-N 3.43Å; Q632-L635 PolarHBondContact O-N 3.48Å; N633-L635 VanDerWaalsContact C-N 3.25Å; N633-L635 PolarHBondContact O-N 3.39Å; L635-S639 WeakPolarHBondContact O-CB 3.44Å; L635-S639 PolarHBondContact O-N 2.81Å
636M72.7Confident74.3Confident109 Ų109103.2 Ų103.254%0.53752%0.516SS..Hα-helixtrans-68-43.6168.9-80.3-61.3-49.900111.8Q632 N633 S639 N640Q632-M636 PolarHBondContact O-N 3.37Å; N633-M636 CarbonylContact O-C 3.57Å; N633-M636 WeakPolarHBondContact O-CA 3.36Å; N633-M636 WeakPolarHBondContact O-CB 3.47Å; N633-M636 PolarHBondContact O-N 2.79Å; M636-S639 WeakPolarHBondContact O-CB 3.46Å; M636-S639 PolarHBondContact O-N 3.45Å; M636-S639 VanDerWaalsContact O-N 3.14Å; M636-N640 PolarHBondContact O-N 3.49Å; M636-N640 PolarHBondContact O-ND2 3.1Å
637D73.8Confident74.7Confident96 Ų96100.9 Ų100.951%0.51351%0.505SS..Hα-helixtrans-64.9-46.2176.2-65.7-32.5000110.6N633 S639 N640 E641N633-D637 PolarHBondContact O-N 3.15Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.11Å; D637-N640 CarbonylContact O-C 3.56Å; D637-N640 WeakPolarHBondContact O-CA 3.37Å; D637-N640 WeakPolarHBondContact O-CB 3.42Å; D637-N640 PolarHBondContact O-N 2.8Å; D637-E641 WeakPolarHBondContact O-CG 3.31Å; D637-E641 PolarHBondContact O-N 2.95Å
638K75.8Confident75.3Confident116 Ų116100.5 Ų100.550%0.50450%0.503SS..Hα-helixtrans-62.1-28170.1-77.6175.2175.7177.70113.7K634 L642K634-K638 WeakPolarHBondContact O-CB 3.48Å; K634-K638 VanDerWaalsContact O-CG 3.23Å; K634-K638 WeakPolarHBondContact O-CG 3.35Å; K634-K638 PolarHBondContact O-N 3.21Å; K638-L642 VanDerWaalsContact O-CB 3.26Å; K638-L642 WeakPolarHBondContact O-CB 3.47Å; K638-L642 WeakPolarHBondContact O-CG 3.46Å; K638-L642 PolarHBondContact O-N 3.47Å
639S74.6Confident75.6Confident52 Ų5299.2 Ų99.236%0.36450%0.497SS..Hα-helixtrans-71.7-35172.6-172.30000111.2L635 M636 D637 I643L635-S639 WeakPolarHBondContact O-CB 3.44Å; L635-S639 PolarHBondContact O-N 2.81Å; M636-S639 WeakPolarHBondContact O-CB 3.46Å; M636-S639 PolarHBondContact O-N 3.45Å; M636-S639 VanDerWaalsContact O-N 3.14Å; D637-S639 VanDerWaalsContact C-N 3.25Å; D637-S639 PolarHBondContact O-N 3.11Å; S639-I643 WeakPolarHBondContact O-CD1 3.31Å; S639-I643 VanDerWaalsContact O-CG1 3.28Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.32Å
640N76.9Confident76Confident79 Ų7997.7 Ų97.742%0.42249%0.49SS..Hα-helixtrans-72.1-41.3173.3-64.5-37.3000111.1M636 D637 L642 I643 I644M636-N640 PolarHBondContact O-N 3.49Å; M636-N640 PolarHBondContact O-ND2 3.1Å; D637-N640 CarbonylContact O-C 3.56Å; D637-N640 WeakPolarHBondContact O-CA 3.37Å; D637-N640 WeakPolarHBondContact O-CB 3.42Å; D637-N640 PolarHBondContact O-N 2.8Å; N640-L642 VanDerWaalsContact C-N 3.35Å; N640-I643 PolarHBondContact O-N 2.98Å; N640-I644 WeakPolarHBondContact O-CG1 3.24Å; N640-I644 PolarHBondContact O-N 2.98Å
641E75.3Confident76.3Confident116 Ų11699.3 Ų99.354%0.54250%0.496SS..Hα-helixtrans-58.3-45.1169.5-68.5174.7158.500110.9D637 I643 I644 V645D637-E641 WeakPolarHBondContact O-CG 3.31Å; D637-E641 PolarHBondContact O-N 2.95Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 PolarHBondContact O-N 2.84Å; E641-I644 PolarHBondContact O-N 3.34Å; E641-I644 VanDerWaalsContact O-N 3.16Å; E641-V645 WeakPolarHBondContact O-CB 3.34Å; E641-V645 VanDerWaalsContact O-CG2 3.3Å; E641-V645 WeakPolarHBondContact O-CG2 3.38Å; E641-V645 PolarHBondContact O-N 2.89Å
642L73.8Confident76.4Confident116 Ų116100.5 Ų100.561%0.60750%0.504SS*.Hα-helixtrans-61.8-33.1174.9-89164.9000113.2K638 N640 N646K638-L642 VanDerWaalsContact O-CB 3.26Å; K638-L642 WeakPolarHBondContact O-CB 3.47Å; K638-L642 WeakPolarHBondContact O-CG 3.46Å; K638-L642 PolarHBondContact O-N 3.47Å; N640-L642 VanDerWaalsContact C-N 3.35Å; L642-N646 WeakPolarHBondContact O-CB 3.33Å; L642-N646 PolarHBondContact O-N 3.3Å
643I78Confident76.8Confident109 Ų109101.6 Ų101.656%0.55951%0.507SS*.Hα-helixtrans-68.4-42.2174.1-72.4162.7000110.6S639 N640 E641 N646 E647S639-I643 WeakPolarHBondContact O-CD1 3.31Å; S639-I643 VanDerWaalsContact O-CG1 3.28Å; S639-I643 WeakPolarHBondContact O-CG1 3.22Å; S639-I643 PolarHBondContact O-N 3.32Å; N640-I643 PolarHBondContact O-N 2.98Å; E641-I643 VanDerWaalsContact C-N 3.29Å; E641-I643 PolarHBondContact O-N 2.84Å; I643-N646 PolarHBondContact O-N 3.25Å; I643-E647 PolarHBondContact O-N 2.89Å; I643-E647 VanDerWaalsContact O-N 3.16Å
644I77.5Confident77Confident100 Ų100102.3 Ų102.351%0.51351%0.507SS..Hα-helixtrans-63.7-54.1175.2-65.8166.3000110N640 E641 N646 E647 E648N640-I644 WeakPolarHBondContact O-CG1 3.24Å; N640-I644 PolarHBondContact O-N 2.98Å; E641-I644 PolarHBondContact O-N 3.34Å; E641-I644 VanDerWaalsContact O-N 3.16Å; I644-N646 PolarHBondContact O-N 3.16Å; I644-E647 PolarHBondContact O-N 3.43Å; I644-E648 HydrophobicContact CG2-CG 4.41Å; I644-E648 WeakPolarHBondContact O-CG 3.16Å; I644-E648 PolarHBondContact O-N 2.66Å
645V76.7Confident77.3Confident69 Ų69103.6 Ų103.642%0.41851%0.513SS..Hα-helixtrans-57.9-34178.7169.20000112E641 L649E641-V645 WeakPolarHBondContact O-CB 3.34Å; E641-V645 VanDerWaalsContact O-CG2 3.3Å; E641-V645 WeakPolarHBondContact O-CG2 3.38Å; E641-V645 PolarHBondContact O-N 2.89Å; V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.34Å; V645-L649 PolarHBondContact O-N 3.16Å
646N78.3Confident77.5Confident109 Ų109103.9 Ų103.958%0.58351%0.513SS*.Hα-helixtrans-74.6-33.4177.3-171.545000112.9L642 I643 I644 L649 K650L642-N646 WeakPolarHBondContact O-CB 3.33Å; L642-N646 PolarHBondContact O-N 3.3Å; I643-N646 PolarHBondContact O-N 3.25Å; I644-N646 PolarHBondContact O-N 3.16Å; N646-L649 PolarHBondContact O-N 3.46Å; N646-K650 WeakPolarHBondContact O-CB 3.35Å; N646-K650 PolarHBondContact O-N 3.39Å
647E82.4Confident77.8Confident85 Ų85102.3 Ų102.340%0.39751%0.513SS..Hα-helixtrans-75.8-32.8172.8-169.763.7-159.300111.3I643 I644 K650 Q651I643-E647 PolarHBondContact O-N 2.89Å; I643-E647 VanDerWaalsContact O-N 3.16Å; I644-E647 PolarHBondContact O-N 3.43Å; E647-K650 WeakPolarHBondContact O-CB 3.46Å; E647-K650 PolarHBondContact O-N 2.7Å; E647-K650 IonicContact OE1-NZ 2.79Å; E647-K650 PolarHBondContact OE1-NZ 3.01Å; E647-K650 WeakPolarHBondContact OE2-CD 3.4Å; E647-K650 IonicContact OE2-NZ 2.62Å; E647-K650 PolarHBondContact OE2-NZ 2.79Å; E647-Q651 WeakPolarHBondContact O-CG 3.46Å; E647-Q651 PolarHBondContact O-N 2.87Å
648E80.3Confident78.2Confident111 Ų111103.9 Ų103.952%0.51952%0.515SS..Hα-helixtrans-63.2-44.4166.2-71.3177.9166.500111.4I644 K650 Q651 L652I644-E648 HydrophobicContact CG2-CG 4.41Å; I644-E648 WeakPolarHBondContact O-CG 3.16Å; I644-E648 PolarHBondContact O-N 2.66Å; E648-K650 PolarHBondContact O-N 3.47Å; E648-Q651 CarbonylContact O-C 3.53Å; E648-Q651 PolarHBondContact O-N 3.13Å; E648-L652 WeakPolarHBondContact O-CB 3.27Å; E648-L652 PolarHBondContact O-N 3.12Å
649L76.1Confident78.1Confident79 Ų79102.8 Ų102.841%0.41451%0.512SS..Hα-helixtrans-59.7-31.4173.1-114.5163.4000112.5V645 N646 K653V645-L649 VanDerWaalsContact O-CB 3.3Å; V645-L649 WeakPolarHBondContact O-CB 3.34Å; V645-L649 PolarHBondContact O-N 3.16Å; N646-L649 PolarHBondContact O-N 3.46Å; L649-K653 WeakPolarHBondContact O-CB 3.26Å; L649-K653 VanDerWaalsContact O-CG 3.31Å; L649-K653 WeakPolarHBondContact O-CG 3.17Å; L649-K653 PolarHBondContact O-N 2.95Å
650K83.8Confident78Confident110 Ų110107.1 Ų107.148%0.47853%0.527SS..Hα-helixtrans-74.8-42175.4173.9169.7153.4-118.20111.8N646 E647 E648 L652 K653 E654N646-K650 WeakPolarHBondContact O-CB 3.35Å; N646-K650 PolarHBondContact O-N 3.39Å; E647-K650 WeakPolarHBondContact O-CB 3.46Å; E647-K650 PolarHBondContact O-N 2.7Å; E647-K650 IonicContact OE1-NZ 2.79Å; E647-K650 PolarHBondContact OE1-NZ 3.01Å; E647-K650 WeakPolarHBondContact OE2-CD 3.4Å; E647-K650 IonicContact OE2-NZ 2.62Å; E647-K650 PolarHBondContact OE2-NZ 2.79Å; E648-K650 PolarHBondContact O-N 3.47Å; K650-L652 VanDerWaalsContact C-N 3.33Å; K650-K653 PolarHBondContact O-N 3.33Å; K650-E654 PolarHBondContact O-N 2.74Å
651Q80.9Confident78.1Confident124 Ų124108.3 Ų108.358%0.57953%0.533SS*.Hα-helixtrans-62.9-40169.6-69.8-179.143.500111.5E647 E648 K653 E654 F655E647-Q651 WeakPolarHBondContact O-CG 3.46Å; E647-Q651 PolarHBondContact O-N 2.87Å; E648-Q651 CarbonylContact O-C 3.53Å; E648-Q651 PolarHBondContact O-N 3.13Å; Q651-K653 VanDerWaalsContact C-N 3.33Å; Q651-K653 PolarHBondContact O-N 3.38Å; Q651-E654 PolarHBondContact O-N 3.07Å; Q651-F655 WeakPolarHBondContact O-CB 3.3Å; Q651-F655 PolarHBondContact O-N 3.05Å
652L72.9Confident78.3Confident104 Ų104107.3 Ų107.355%0.54553%0.532SS..Hα-helixtrans-64.3-36.7175-156.978.6000111.3E648 K650 F655 M656E648-L652 WeakPolarHBondContact O-CB 3.27Å; E648-L652 PolarHBondContact O-N 3.12Å; K650-L652 VanDerWaalsContact C-N 3.33Å; L652-F655 PolarHBondContact O-N 3.19Å; L652-M656 VanDerWaalsContact O-CB 3.27Å; L652-M656 WeakPolarHBondContact O-CB 3.37Å; L652-M656 WeakPolarHBondContact O-CG 3.46Å; L652-M656 PolarHBondContact O-N 3.22Å
653K79.3Confident78.2Confident142 Ų142105 Ų10562%0.61752%0.516SS*.Hα-helixtrans-67.9-38.7172-82175.3177.8177.30113.2L649 K650 Q651 S657L649-K653 WeakPolarHBondContact O-CB 3.26Å; L649-K653 VanDerWaalsContact O-CG 3.31Å; L649-K653 WeakPolarHBondContact O-CG 3.17Å; L649-K653 PolarHBondContact O-N 2.95Å; K650-K653 PolarHBondContact O-N 3.33Å; Q651-K653 VanDerWaalsContact C-N 3.33Å; Q651-K653 PolarHBondContact O-N 3.38Å; K653-S657 WeakPolarHBondContact O-CB 3.33Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 2.95Å
654E80.5Confident77.9Confident116 Ų116104.5 Ų104.554%0.54251%0.511SS..Hα-helixtrans-65.8-39.9171.2-90.5-164.5-177.300112K650 Q651 S657 K658K650-E654 PolarHBondContact O-N 2.74Å; Q651-E654 PolarHBondContact O-N 3.07Å; E654-S657 PolarHBondContact O-N 2.76Å; E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.84Å; E654-K658 IonicContact OE2-NZ 2.7Å
655F81.8Confident78.1Confident121 Ų121103.5 Ų103.553%0.53151%0.506SS..Hα-helixtrans-65.5-45.7175.8-177-100.2000111.5Q651 L652 S657 K658 M659Q651-F655 WeakPolarHBondContact O-CB 3.3Å; Q651-F655 PolarHBondContact O-N 3.05Å; L652-F655 PolarHBondContact O-N 3.19Å; F655-S657 VanDerWaalsContact C-N 3.3Å; F655-S657 PolarHBondContact O-N 3.44Å; F655-K658 PolarHBondContact O-N 3.49Å; F655-M659 HydrophobicContact CD1-CG 4.02Å; F655-M659 HydrophobicContact CE1-CG 3.59Å; F655-M659 HydrophobicContact CE1-SD 4.24Å; F655-M659 HydrophobicContact CE2-CG 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.84Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CB 3.41Å; F655-M659 WeakPolarHBondContact O-CG 3.39Å; F655-M659 PolarHBondContact O-N 2.77Å
656M76Confident77.8Confident119 Ų119104.8 Ų104.859%0.58651%0.507SS*.Hα-helixtrans-57.1-41.7171.3-76.8-76.4-71.600111.7L652 M659 Q660L652-M656 VanDerWaalsContact O-CB 3.27Å; L652-M656 WeakPolarHBondContact O-CB 3.37Å; L652-M656 WeakPolarHBondContact O-CG 3.46Å; L652-M656 PolarHBondContact O-N 3.22Å; M656-M659 PolarHBondContact O-N 3.42Å; M656-Q660 VanDerWaalsContact O-CB 3.23Å; M656-Q660 WeakPolarHBondContact O-CB 3.33Å; M656-Q660 PolarHBondContact O-N 2.79Å
657S79.4Confident77.6Confident76 Ų76103.4 Ų103.453%0.53150%0.499SS..Hα-helixtrans-66.1-38.4177.5-56.60000112K653 E654 F655 N661K653-S657 WeakPolarHBondContact O-CB 3.33Å; K653-S657 PolarHBondContact O-N 3.39Å; K653-S657 PolarHBondContact O-OG 2.95Å; E654-S657 PolarHBondContact O-N 2.76Å; F655-S657 VanDerWaalsContact C-N 3.3Å; F655-S657 PolarHBondContact O-N 3.44Å; S657-N661 WeakPolarHBondContact O-CB 3.48Å; S657-N661 PolarHBondContact O-N 2.97Å
658K81.8Confident77.4Confident129 Ų129103.5 Ų103.556%0.56150%0.502SS*.Hα-helixtrans-68.7-45.8173.8-73.7168-177.8159.50111.8E654 F655 Q660 N661 N662E654-K658 WeakPolarHBondContact O-CG 3.3Å; E654-K658 PolarHBondContact O-N 2.84Å; E654-K658 IonicContact OE2-NZ 2.7Å; F655-K658 PolarHBondContact O-N 3.49Å; K658-Q660 VanDerWaalsContact C-N 3.34Å; K658-Q660 PolarHBondContact O-N 3.48Å; K658-N661 PolarHBondContact O-N 3.39Å; K658-N662 PolarHBondContact O-N 2.91Å; K658-N662 PolarHBondContact O-OD1 2.85Å
659M73.5Confident77.1Confident92 Ų92104.2 Ų104.245%0.45351%0.506SS..Hα-helixtrans-55.1-48.4173-82.3-78.8-71.900111.4F655 M656 N661 N662 Y663F655-M659 HydrophobicContact CD1-CG 4.02Å; F655-M659 HydrophobicContact CE1-CG 3.59Å; F655-M659 HydrophobicContact CE1-SD 4.24Å; F655-M659 HydrophobicContact CE2-CG 4.46Å; F655-M659 HydrophobicContact CZ-CG 3.84Å; F655-M659 HydrophobicContact CZ-SD 4.14Å; F655-M659 WeakPolarHBondContact O-CB 3.41Å; F655-M659 WeakPolarHBondContact O-CG 3.39Å; F655-M659 PolarHBondContact O-N 2.77Å; M656-M659 PolarHBondContact O-N 3.42Å; M659-N661 PolarHBondContact O-N 2.88Å; M659-N662 PolarHBondContact O-N 3.3Å; M659-Y663 WeakPolarHBondContact O-CB 3.5Å; M659-Y663 PolarHBondContact O-N 3.39Å
660Q73.1Confident77Confident143 Ų143104 Ų10467%0.66850%0.503SS*.Hα-helixtrans-65.9-36.9179.5-173.7172.9-1.500112.3M656 K658 Y663 Q664M656-Q660 VanDerWaalsContact O-CB 3.23Å; M656-Q660 WeakPolarHBondContact O-CB 3.33Å; M656-Q660 PolarHBondContact O-N 2.79Å; K658-Q660 VanDerWaalsContact C-N 3.34Å; K658-Q660 PolarHBondContact O-N 3.48Å; Q660-Y663 PolarHBondContact O-N 3Å; Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 PolarHBondContact O-N 3.49Å
661N79.6Confident76.5Confident104 Ų104101.6 Ų101.656%0.55650%0.5SS*.Hα-helixtrans-71.8-37.2176.4-156.645.7000112.1S657 K658 M659 Q664 I665S657-N661 WeakPolarHBondContact O-CB 3.48Å; S657-N661 PolarHBondContact O-N 2.97Å; K658-N661 PolarHBondContact O-N 3.39Å; M659-N661 PolarHBondContact O-N 2.88Å; N661-Q664 PolarHBondContact O-N 3.23Å; N661-I665 WeakPolarHBondContact O-CG1 3.48Å; N661-I665 PolarHBondContact O-N 3.39Å
662N78.2Confident76.4Confident96 Ų96102.5 Ų102.551%0.51350%0.504SS..Hα-helixtrans-62.7-47.9169.7-81.629.6000111.2K658 M659 Q664 I665 E666K658-N662 PolarHBondContact O-N 2.91Å; K658-N662 PolarHBondContact O-OD1 2.85Å; M659-N662 PolarHBondContact O-N 3.3Å; N662-Q664 PolarHBondContact O-N 2.95Å; N662-I665 WeakPolarHBondContact O-CA 3.36Å; N662-I665 WeakPolarHBondContact O-CB 3.45Å; N662-I665 PolarHBondContact O-N 3.37Å; N662-E666 PolarHBondContact O-N 3.35Å
663Y71.1Confident76.5Confident68 Ų68103.5 Ų103.527%0.26751%0.506SS..Hα-helixtrans-59.2-32.3176.9-123.8-82.2000112.4R228 M659 Q660 L667R228-Y663 PolarHBondContact NH2-OH 2.74Å; M659-Y663 WeakPolarHBondContact O-CB 3.5Å; M659-Y663 PolarHBondContact O-N 3.39Å; Q660-Y663 PolarHBondContact O-N 3Å; Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.46Å; Y663-L667 PolarHBondContact O-N 3.29Å
664Q72.9Confident76.2Confident98 Ų98101.3 Ų101.346%0.45850%0.5SS..Hα-helixtrans-74.3-32.5175.1-171.162.171.600112.6Q660 N661 N662 N668Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 PolarHBondContact O-N 3.49Å; N661-Q664 PolarHBondContact O-N 3.23Å; N662-Q664 PolarHBondContact O-N 2.95Å; Q664-N668 PolarHBondContact NE2-OD1 2.98Å; Q664-N668 WeakPolarHBondContact O-CB 3.2Å; Q664-N668 PolarHBondContact O-N 2.97Å; Q664-N668 VanDerWaalsContact O-N 3.08Å; Q664-N668 PolarHBondContact O-OD1 3.47Å; Q664-N668 VanDerWaalsContact O-OD1 3.1Å
665I80.4Confident76.1Confident79 Ų79101.8 Ų101.841%0.40550%0.502SS..Hα-helixtrans-69-48.2171.9-68.3163.4000109.6N661 N662 L667 N668 E669N661-I665 WeakPolarHBondContact O-CG1 3.48Å; N661-I665 PolarHBondContact O-N 3.39Å; N662-I665 WeakPolarHBondContact O-CA 3.36Å; N662-I665 WeakPolarHBondContact O-CB 3.45Å; N662-I665 PolarHBondContact O-N 3.37Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.22Å; I665-N668 PolarHBondContact O-N 3.5Å; I665-E669 HydrophobicContact CG2-CG 4.36Å; I665-E669 WeakPolarHBondContact O-CG 3.47Å; I665-E669 PolarHBondContact O-N 3.2Å
666E72.3Confident76Confident95 Ų9599.1 Ų99.144%0.44450%0.499SS..Hα-helixtrans-59.4-39.1175.6-70.2171.3172.600111.9N662 Q670N662-E666 PolarHBondContact O-N 3.35Å; E666-Q670 VanDerWaalsContact O-CB 3.28Å; E666-Q670 WeakPolarHBondContact O-CB 3.29Å; E666-Q670 VanDerWaalsContact O-CG 3.28Å; E666-Q670 WeakPolarHBondContact O-CG 3.45Å; E666-Q670 PolarHBondContact O-N 2.8Å
667L72.6Confident76Confident81 Ų8198.5 Ų98.542%0.42450%0.497SS..Hα-helixtrans-64.3-36.7172.4-103.7158000113.3Y663 I665 S671Y663-L667 VanDerWaalsContact O-CB 3.3Å; Y663-L667 WeakPolarHBondContact O-CB 3.46Å; Y663-L667 PolarHBondContact O-N 3.29Å; I665-L667 VanDerWaalsContact C-N 3.31Å; I665-L667 PolarHBondContact O-N 3.22Å; L667-S671 VanDerWaalsContact O-CB 3.29Å; L667-S671 WeakPolarHBondContact O-CB 3.45Å; L667-S671 PolarHBondContact O-N 3.3Å
668N78.3Confident75.9Confident86 Ų86100.2 Ų100.246%0.4650%0.497SS..Hα-helixtrans-73.1-43.7177.7-68.60.1000110.9Q664 I665 S671 E672Q664-N668 PolarHBondContact NE2-OD1 2.98Å; Q664-N668 WeakPolarHBondContact O-CB 3.2Å; Q664-N668 PolarHBondContact O-N 2.97Å; Q664-N668 VanDerWaalsContact O-N 3.08Å; Q664-N668 PolarHBondContact O-OD1 3.47Å; Q664-N668 VanDerWaalsContact O-OD1 3.1Å; I665-N668 PolarHBondContact O-N 3.5Å; N668-S671 WeakPolarHBondContact O-CB 3.19Å; N668-S671 PolarHBondContact O-N 2.99Å; N668-S671 VanDerWaalsContact O-N 3.1Å; N668-E672 PolarHBondContact O-N 2.88Å
669E75.4Confident75.7Confident126 Ų126101.1 Ų101.159%0.58950%0.503SS*.Hα-helixtrans-61.9-44.4175.2-70.8178.4175.700110.9I665 S671 E672 E673I665-E669 HydrophobicContact CG2-CG 4.36Å; I665-E669 WeakPolarHBondContact O-CG 3.47Å; I665-E669 PolarHBondContact O-N 3.2Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.41Å; E669-E672 PolarHBondContact O-N 3.49Å; E669-E673 WeakPolarHBondContact O-CB 3.08Å; E669-E673 PolarHBondContact O-N 3.47Å
670Q73.1Confident75.9Confident74 Ų74100.4 Ų100.435%0.34650%0.504SS..Hα-helixtrans-63.7-33171.4-74.5-179.71.600112.6E666 I674E666-Q670 VanDerWaalsContact O-CB 3.28Å; E666-Q670 WeakPolarHBondContact O-CB 3.29Å; E666-Q670 VanDerWaalsContact O-CG 3.28Å; E666-Q670 WeakPolarHBondContact O-CG 3.45Å; E666-Q670 PolarHBondContact O-N 2.8Å; Q670-I674 VanDerWaalsContact O-CB 3.27Å; Q670-I674 WeakPolarHBondContact O-CB 3.18Å; Q670-I674 WeakPolarHBondContact O-CD1 3.3Å; Q670-I674 WeakPolarHBondContact O-CG1 3.45Å; Q670-I674 PolarHBondContact O-N 2.78Å
671S74.4Confident76Confident61 Ų6199.1 Ų99.143%0.42750%0.501SS..Hα-helixtrans-70.8-35.2175.2-173.90000112.7L667 N668 E669 Q675L667-S671 VanDerWaalsContact O-CB 3.29Å; L667-S671 WeakPolarHBondContact O-CB 3.45Å; L667-S671 PolarHBondContact O-N 3.3Å; N668-S671 WeakPolarHBondContact O-CB 3.19Å; N668-S671 PolarHBondContact O-N 2.99Å; N668-S671 VanDerWaalsContact O-N 3.1Å; E669-S671 VanDerWaalsContact C-N 3.31Å; E669-S671 PolarHBondContact O-N 3.41Å; S671-Q675 WeakPolarHBondContact O-CG 3.17Å; S671-Q675 PolarHBondContact O-N 3.35Å
672E78.3Confident75.9Confident143 Ų14398.6 Ų98.667%0.66850%0.498SS*.Hα-helixtrans-71.7-39.1173.6-71.4-174.9-17200110.9N668 E669 Q675 S676N668-E672 PolarHBondContact O-N 2.88Å; E669-E672 PolarHBondContact O-N 3.49Å; E672-Q675 PolarHBondContact O-N 2.86Å; E672-S676 WeakPolarHBondContact O-CB 3.49Å; E672-S676 PolarHBondContact O-N 3.4Å
673E75.6Confident75.9Confident125 Ų12597.5 Ų97.558%0.58450%0.495SS*.Hα-helixtrans-65.5-42.9173.6-171.6168.6-132.700112E669 Q675 S676 L677E669-E673 WeakPolarHBondContact O-CB 3.08Å; E669-E673 PolarHBondContact O-N 3.47Å; E673-Q675 VanDerWaalsContact C-N 3.35Å; E673-Q675 PolarHBondContact O-N 2.84Å; E673-S676 WeakPolarHBondContact O-CB 3.1Å; E673-S676 PolarHBondContact O-N 3.05Å; E673-L677 HydrophobicContact CG-CD1 4.08Å; E673-L677 HydrophobicContact CG-CG 4.47Å; E673-L677 WeakPolarHBondContact O-CB 3.32Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.43Å; E673-L677 PolarHBondContact O-N 2.83Å
674I72.9Confident76.1Confident96 Ų9697.8 Ų97.849%0.49250%0.504SS..Hα-helixtrans-63.1-39.2173.8-73.1165.6000111.2Q670 L677 Q678Q670-I674 VanDerWaalsContact O-CB 3.27Å; Q670-I674 WeakPolarHBondContact O-CB 3.18Å; Q670-I674 WeakPolarHBondContact O-CD1 3.3Å; Q670-I674 WeakPolarHBondContact O-CG1 3.45Å; Q670-I674 PolarHBondContact O-N 2.78Å; I674-L677 PolarHBondContact O-N 3.47Å; I674-Q678 HydrophobicContact CG2-CG 4.48Å; I674-Q678 WeakPolarHBondContact O-CB 3.33Å; I674-Q678 WeakPolarHBondContact O-CG 3.5Å; I674-Q678 PolarHBondContact O-N 3.2Å
675Q77.3Confident76.4Confident125 Ų12598.6 Ų98.658%0.58451%0.506SS*.Hα-helixtrans-65.2-41.9173.3-78.6-17310.400112S671 E672 E673 Q678 Q679S671-Q675 WeakPolarHBondContact O-CG 3.17Å; S671-Q675 PolarHBondContact O-N 3.35Å; E672-Q675 PolarHBondContact O-N 2.86Å; E673-Q675 VanDerWaalsContact C-N 3.35Å; E673-Q675 PolarHBondContact O-N 2.84Å; Q675-Q678 PolarHBondContact O-N 2.99Å; Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 PolarHBondContact O-N 3.07Å
676S80.5Confident76.4Confident66 Ų6699.7 Ų99.746%0.46251%0.513SS..Hα-helixtrans-60.2-44.7174.3-177.30000112E672 E673 Q679 T680E672-S676 WeakPolarHBondContact O-CB 3.49Å; E672-S676 PolarHBondContact O-N 3.4Å; E673-S676 WeakPolarHBondContact O-CB 3.1Å; E673-S676 PolarHBondContact O-N 3.05Å; S676-Q679 PolarHBondContact O-N 2.72Å; S676-T680 WeakPolarHBondContact O-CB 3.07Å; S676-T680 PolarHBondContact O-N 3.45Å; S676-T680 PolarHBondContact O-OG1 2.85Å
677L76Confident76.7Confident105 Ų105100.4 Ų100.455%0.5552%0.516SS..Hα-helixtrans-67.3-38176.3-71.1170.5000112.1E673 I674 T680 L681E673-L677 HydrophobicContact CG-CD1 4.08Å; E673-L677 HydrophobicContact CG-CG 4.47Å; E673-L677 WeakPolarHBondContact O-CB 3.32Å; E673-L677 VanDerWaalsContact O-CG 3.29Å; E673-L677 WeakPolarHBondContact O-CG 3.43Å; E673-L677 PolarHBondContact O-N 2.83Å; I674-L677 PolarHBondContact O-N 3.47Å; L677-T680 PolarHBondContact O-N 3.09Å; L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 PolarHBondContact O-N 2.9Å
678Q75.6Confident76.7Confident113 Ų113103.2 Ų103.253%0.52853%0.525SS..Hα-helixtrans-66.7-38.1172.2-78.9-176.1-35.500112.3I674 Q675 T680 L681 N682I674-Q678 HydrophobicContact CG2-CG 4.48Å; I674-Q678 WeakPolarHBondContact O-CB 3.33Å; I674-Q678 WeakPolarHBondContact O-CG 3.5Å; I674-Q678 PolarHBondContact O-N 3.2Å; Q675-Q678 PolarHBondContact O-N 2.99Å; Q678-T680 VanDerWaalsContact C-N 3.34Å; Q678-L681 PolarHBondContact O-N 2.97Å; Q678-N682 WeakPolarHBondContact O-CB 3.45Å; Q678-N682 VanDerWaalsContact O-CG 3.28Å; Q678-N682 PolarHBondContact O-N 3.48Å; Q678-N682 PolarHBondContact O-ND2 3Å
679Q77.8Confident76.5Confident148 Ų148103.1 Ų103.169%0.69252%0.522SS*.Hα-helixtrans-67.7-38.5175.8-140.3174.733.300111.2Q675 S676 T683Q675-Q679 WeakPolarHBondContact O-CB 3.41Å; Q675-Q679 PolarHBondContact O-N 3.07Å; S676-Q679 PolarHBondContact O-N 2.72Å; Q679-T683 WeakPolarHBondContact O-CB 3.29Å; Q679-T683 PolarHBondContact O-N 3.07Å; Q679-T683 PolarHBondContact O-OG1 3.14Å
680T77.9Confident76.5Confident76 Ų7699.9 Ų99.947%0.46651%0.513SS..Hα-helixtrans-64-51.1172.4-56.30000110.8S676 L677 Q678 N682 T683 T684S676-T680 WeakPolarHBondContact O-CB 3.07Å; S676-T680 PolarHBondContact O-N 3.45Å; S676-T680 PolarHBondContact O-OG1 2.85Å; L677-T680 PolarHBondContact O-N 3.09Å; Q678-T680 VanDerWaalsContact C-N 3.34Å; T680-N682 PolarHBondContact O-N 3.42Å; T680-T683 CarbonylContact O-C 3.5Å; T680-T683 WeakPolarHBondContact O-CA 2.77Å; T680-T683 WeakPolarHBondContact O-CB 3.47Å; T680-T683 PolarHBondContact O-N 2.99Å; T680-T684 PolarHBondContact O-N 3.46Å; T680-T684 PolarHBondContact O-OG1 3.26Å
681L75.9Confident76.6Confident117 Ų117101.3 Ų101.361%0.61352%0.522SS*.Hα-helixtrans-58-43.7178.4-178.765.6000112.2L677 Q678 T683 T684 K685L677-L681 WeakPolarHBondContact O-CB 3.48Å; L677-L681 PolarHBondContact O-N 2.9Å; Q678-L681 PolarHBondContact O-N 2.97Å; L681-T683 VanDerWaalsContact C-N 3.32Å; L681-T683 PolarHBondContact O-N 3.29Å; L681-T684 PolarHBondContact O-N 2.99Å; L681-K685 VanDerWaalsContact O-CB 3.27Å; L681-K685 WeakPolarHBondContact O-CB 3.31Å; L681-K685 PolarHBondContact O-N 3.46Å
682N78.2Confident76.4Confident92 Ų92102 Ų10249%0.49252%0.519SS..Hα-helixtrans-64.5-36.7174.2-75.4-38.9000111.9Q678 T680 N686Q678-N682 WeakPolarHBondContact O-CB 3.45Å; Q678-N682 VanDerWaalsContact O-CG 3.28Å; Q678-N682 PolarHBondContact O-N 3.48Å; Q678-N682 PolarHBondContact O-ND2 3Å; T680-N682 PolarHBondContact O-N 3.42Å; N682-N686 WeakPolarHBondContact O-CB 3.49Å; N682-N686 PolarHBondContact O-N 3.09Å; N682-N686 PolarHBondContact O-ND2 2.93Å; N682-N686 PolarHBondContact O-OD1 3.22Å
683T78.5Confident76.1Confident73 Ų7398.8 Ų98.845%0.44851%0.509SS..Hα-helixtrans-67.5-44.1175.7-55.50000111.3Q679 T680 L681 N686 Q687Q679-T683 WeakPolarHBondContact O-CB 3.29Å; Q679-T683 PolarHBondContact O-N 3.07Å; Q679-T683 PolarHBondContact O-OG1 3.14Å; T680-T683 CarbonylContact O-C 3.5Å; T680-T683 WeakPolarHBondContact O-CA 2.77Å; T680-T683 WeakPolarHBondContact O-CB 3.47Å; T680-T683 PolarHBondContact O-N 2.99Å; L681-T683 VanDerWaalsContact C-N 3.32Å; L681-T683 PolarHBondContact O-N 3.29Å; T683-N686 PolarHBondContact O-N 3.19Å; T683-Q687 VanDerWaalsContact O-CG 3.31Å; T683-Q687 WeakPolarHBondContact O-CG 3.33Å; T683-Q687 PolarHBondContact O-N 2.93Å
684T73.4Confident76Confident74 Ų7498.7 Ų98.745%0.45451%0.508SS..Hα-helixtrans-66-38.2175.2-55.90000111.9T680 L681 Q687 F688T680-T684 PolarHBondContact O-N 3.46Å; T680-T684 PolarHBondContact O-OG1 3.26Å; L681-T684 PolarHBondContact O-N 2.99Å; T684-Q687 WeakPolarHBondContact O-CB 3.46Å; T684-Q687 PolarHBondContact O-N 3.06Å; T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 3.44Å
685K80.7Confident76Confident116 Ų116100.7 Ų100.750%0.50451%0.514SS..Hα-helixtrans-61.9-48.8173.5177.6170173170.20111.3L681 Q687 F688 E689L681-K685 VanDerWaalsContact O-CB 3.27Å; L681-K685 WeakPolarHBondContact O-CB 3.31Å; L681-K685 PolarHBondContact O-N 3.46Å; K685-Q687 VanDerWaalsContact C-N 3.26Å; K685-Q687 PolarHBondContact O-N 2.89Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 3.34Å; K685-F688 VanDerWaalsContact O-N 3.07Å; K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 HydrophobicContact CG-CG 4.44Å; K685-E689 IonicContact NZ-OE1 2.66Å; K685-E689 WeakPolarHBondContact O-CG 3.17Å; K685-E689 PolarHBondContact O-N 3.45Å
686N78.9Confident75.7Confident101 Ų10196.9 Ų96.954%0.5450%0.497SS..Hα-helixtrans-62.3-33.4176.5-65.7-8.8000112.2N682 T683 S690N682-N686 WeakPolarHBondContact O-CB 3.49Å; N682-N686 PolarHBondContact O-N 3.09Å; N682-N686 PolarHBondContact O-ND2 2.93Å; N682-N686 PolarHBondContact O-OD1 3.22Å; T683-N686 PolarHBondContact O-N 3.19Å; N686-S690 VanDerWaalsContact O-CB 3.31Å; N686-S690 WeakPolarHBondContact O-CB 3.46Å; N686-S690 PolarHBondContact O-N 3.45Å
687Q79.4Confident75.4Confident111 Ų11197.9 Ų97.952%0.51950%0.497SS..Hα-helixtrans-68-42.3171.8-74.2171.1-5.400111.9T683 T684 K685 S690 I691T683-Q687 VanDerWaalsContact O-CG 3.31Å; T683-Q687 WeakPolarHBondContact O-CG 3.33Å; T683-Q687 PolarHBondContact O-N 2.93Å; T684-Q687 WeakPolarHBondContact O-CB 3.46Å; T684-Q687 PolarHBondContact O-N 3.06Å; K685-Q687 VanDerWaalsContact C-N 3.26Å; K685-Q687 PolarHBondContact O-N 2.89Å; Q687-S690 WeakPolarHBondContact O-CB 3.39Å; Q687-S690 PolarHBondContact O-N 3.37Å; Q687-I691 VanDerWaalsContact O-CG1 3.3Å; Q687-I691 WeakPolarHBondContact O-CG1 3.3Å; Q687-I691 PolarHBondContact O-N 3.46Å
688F73Confident75.4Confident139 Ų13998 Ų9861%0.6149%0.493SS*.Hα-helixtrans-64.8-45.7176.7-171.3-90.8000111.8T684 K685 S690 I691 Q692T684-F688 WeakPolarHBondContact O-CB 3.49Å; T684-F688 PolarHBondContact O-N 3.44Å; K685-F688 WeakPolarHBondContact O-CB 3.5Å; K685-F688 PolarHBondContact O-N 3.34Å; K685-F688 VanDerWaalsContact O-N 3.07Å; F688-S690 VanDerWaalsContact C-N 3.29Å; F688-S690 PolarHBondContact O-N 2.97Å; F688-I691 PolarHBondContact O-N 3.08Å; F688-I691 VanDerWaalsContact O-N 3.16Å; F688-Q692 VanDerWaalsContact O-CB 3.31Å; F688-Q692 WeakPolarHBondContact O-CB 3.15Å; F688-Q692 PolarHBondContact O-N 2.9Å
689E73.2Confident74.7Confident84 Ų8495.1 Ų95.139%0.39349%0.485SS..Hα-helixtrans-60.9-36.9174.4-71.3176.4178.600111.9K685 T693K685-E689 WeakPolarHBondContact CE-OE1 3.43Å; K685-E689 HydrophobicContact CG-CG 4.44Å; K685-E689 IonicContact NZ-OE1 2.66Å; K685-E689 WeakPolarHBondContact O-CG 3.17Å; K685-E689 PolarHBondContact O-N 3.45Å; E689-T693 WeakPolarHBondContact O-CB 3.49Å; E689-T693 PolarHBondContact O-N 3.24Å; E689-T693 PolarHBondContact O-OG1 3.37Å
690S77Confident74.1Confident58 Ų5891.3 Ų91.341%0.40647%0.467SS..Hα-helixtrans-66.8-41.2173-176.30000112.7N686 Q687 F688 T693 Q694N686-S690 VanDerWaalsContact O-CB 3.31Å; N686-S690 WeakPolarHBondContact O-CB 3.46Å; N686-S690 PolarHBondContact O-N 3.45Å; Q687-S690 WeakPolarHBondContact O-CB 3.39Å; Q687-S690 PolarHBondContact O-N 3.37Å; F688-S690 VanDerWaalsContact C-N 3.29Å; F688-S690 PolarHBondContact O-N 2.97Å; S690-T693 PolarHBondContact O-N 3.4Å; S690-Q694 VanDerWaalsContact O-CG 3.3Å; S690-Q694 WeakPolarHBondContact O-CG 3.41Å; S690-Q694 PolarHBondContact O-N 3.45Å; S690-Q694 PolarHBondContact OG-NE2 3.31Å
691I73.8Confident73.8Confident105 Ų10591 Ų9154%0.53847%0.468SS..Hα-helixtrans-68.4-42.4176-69.8164.4000110.6Q687 F688 T693 Q694 F695Q687-I691 VanDerWaalsContact O-CG1 3.3Å; Q687-I691 WeakPolarHBondContact O-CG1 3.3Å; Q687-I691 PolarHBondContact O-N 3.46Å; F688-I691 PolarHBondContact O-N 3.08Å; F688-I691 VanDerWaalsContact O-N 3.16Å; I691-T693 VanDerWaalsContact C-N 3.35Å; I691-T693 PolarHBondContact O-N 2.98Å; I691-Q694 PolarHBondContact O-N 2.88Å; I691-F695 WeakPolarHBondContact O-CB 3.34Å; I691-F695 PolarHBondContact O-N 2.89Å
692Q69.8Low73.2Confident76 Ų7689.2 Ų89.236%0.35546%0.456SS..Hα-helixtrans-60.3-44.1174.5-176.21792.300111F688 F695 I696F688-Q692 VanDerWaalsContact O-CB 3.31Å; F688-Q692 WeakPolarHBondContact O-CB 3.15Å; F688-Q692 PolarHBondContact O-N 2.9Å; Q692-F695 PolarHBondContact O-N 3.37Å; Q692-I696 HydrophobicContact CG-CD1 4Å; Q692-I696 WeakPolarHBondContact O-CB 3.35Å; Q692-I696 VanDerWaalsContact O-CG1 3.29Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 2.81Å
693T72.6Confident72.7Confident74 Ų7487.8 Ų87.845%0.45445%0.454SS..Hα-helixtrans-63.2-41.9174.8-55.50000111.4E689 S690 I691 I696 N697E689-T693 WeakPolarHBondContact O-CB 3.49Å; E689-T693 PolarHBondContact O-N 3.24Å; E689-T693 PolarHBondContact O-OG1 3.37Å; S690-T693 PolarHBondContact O-N 3.4Å; I691-T693 VanDerWaalsContact C-N 3.35Å; I691-T693 PolarHBondContact O-N 2.98Å; T693-I696 PolarHBondContact O-N 3.01Å; T693-N697 WeakPolarHBondContact O-CB 3.4Å; T693-N697 PolarHBondContact O-N 2.75Å; T693-N697 PolarHBondContact O-OD1 3.49Å
694Q74.6Confident72.5Confident124 Ų12488.6 Ų88.658%0.57946%0.459SS*.Hα-helixtrans-65.7-36.8175.4-73.6173.134.900112.6S690 I691 K698S690-Q694 VanDerWaalsContact O-CG 3.3Å; S690-Q694 WeakPolarHBondContact O-CG 3.41Å; S690-Q694 PolarHBondContact O-N 3.45Å; S690-Q694 PolarHBondContact OG-NE2 3.31Å; I691-Q694 PolarHBondContact O-N 2.88Å; Q694-K698 WeakPolarHBondContact O-CB 3.34Å; Q694-K698 PolarHBondContact O-N 3.18Å
695F72.3Confident72.5Confident137 Ų13787.9 Ų87.960%0.60146%0.457SS*.Hα-helixtrans-69-44.9176.1-171.1-95000111.6I691 Q692 K698 C699I691-F695 WeakPolarHBondContact O-CB 3.34Å; I691-F695 PolarHBondContact O-N 2.89Å; Q692-F695 PolarHBondContact O-N 3.37Å; F695-K698 WeakPolarHBondContact O-CB 3.5Å; F695-K698 PolarHBondContact O-N 3.16Å; F695-C699 VanDerWaalsContact CE1-SG 3.58Å; F695-C699 PolarHBondContact O-N 2.86Å; F695-C699 PolarHBondContact O-SG 2.83Å; F695-C699 VanDerWaalsContact O-SG 3.4Å
696I70.6Confident72.1Confident45 Ų4587.8 Ų87.823%0.23146%0.458CS..Hα-helixtrans-59.1-51.5173.7-69.7166.8000110.2Q692 T693 K698 C699 E700Q692-I696 HydrophobicContact CG-CD1 4Å; Q692-I696 WeakPolarHBondContact O-CB 3.35Å; Q692-I696 VanDerWaalsContact O-CG1 3.29Å; Q692-I696 WeakPolarHBondContact O-CG1 3.46Å; Q692-I696 PolarHBondContact O-N 2.81Å; T693-I696 PolarHBondContact O-N 3.01Å; I696-K698 PolarHBondContact O-N 3.35Å; I696-C699 CarbonylContact O-C 3.56Å; I696-C699 PolarHBondContact O-N 3.44Å; I696-C699 VanDerWaalsContact O-N 3.1Å; I696-E700 HydrophobicContact CG2-CG 4.33Å; I696-E700 WeakPolarHBondContact O-CG 3.46Å; I696-E700 PolarHBondContact O-N 3.15Å
697N74.5Confident71.8Confident87 Ų8787.3 Ų87.347%0.46546%0.455SS..Hα-helixtrans-58.5-34.4177.1-67.8-1.4000112.2T693 S701T693-N697 WeakPolarHBondContact O-CB 3.4Å; T693-N697 PolarHBondContact O-N 2.75Å; T693-N697 PolarHBondContact O-OD1 3.49Å; N697-S701 WeakPolarHBondContact O-CB 3.28Å; N697-S701 PolarHBondContact O-N 3.02Å; N697-S701 PolarHBondContact O-OG 3.39Å
698K75.6Confident71.7Confident108 Ų10885.3 Ų85.347%0.4745%0.45SS..Hα-helixtrans-67.3-50.3174.4-172.6-174.1171.4-1530110.8Q694 F695 I696 E700 S701 E702Q694-K698 WeakPolarHBondContact O-CB 3.34Å; Q694-K698 PolarHBondContact O-N 3.18Å; F695-K698 WeakPolarHBondContact O-CB 3.5Å; F695-K698 PolarHBondContact O-N 3.16Å; I696-K698 PolarHBondContact O-N 3.35Å; K698-E700 VanDerWaalsContact C-N 3.32Å; K698-E700 PolarHBondContact O-N 2.93Å; K698-S701 PolarHBondContact O-N 2.83Å; K698-S701 PolarHBondContact O-OG 3.43Å; K698-E702 VanDerWaalsContact CE-CD 3.42Å; K698-E702 WeakPolarHBondContact CE-OE1 3.24Å; K698-E702 IonicContact NZ-OE1 2.8Å; K698-E702 PolarHBondContact NZ-OE1 3.29Å; K698-E702 IonicContact NZ-OE2 2.7Å; K698-E702 PolarHBondContact O-N 3.41Å
699C61.7Low71.8Confident52 Ų5283.3 Ų83.335%0.35144%0.443SS..Hα-helixtrans-63.1-34.9177.5-670000112.7F695 I696 S703F695-C699 VanDerWaalsContact CE1-SG 3.58Å; F695-C699 PolarHBondContact O-N 2.86Å; F695-C699 PolarHBondContact O-SG 2.83Å; F695-C699 VanDerWaalsContact O-SG 3.4Å; I696-C699 CarbonylContact O-C 3.56Å; I696-C699 PolarHBondContact O-N 3.44Å; I696-C699 VanDerWaalsContact O-N 3.1Å; C699-S703 WeakPolarHBondContact O-CB 3.2Å; C699-S703 PolarHBondContact O-N 3.23Å
700E65.5Low71.8Confident68 Ų6884.2 Ų84.232%0.31845%0.45SS..Hα-helixtrans-62.4-45.1169.4-73.8-178.1169.800110.7I696 K698 S703 V704 Y1176I696-E700 HydrophobicContact CG2-CG 4.33Å; I696-E700 WeakPolarHBondContact O-CG 3.46Å; I696-E700 PolarHBondContact O-N 3.15Å; K698-E700 VanDerWaalsContact C-N 3.32Å; K698-E700 PolarHBondContact O-N 2.93Å; E700-S703 PolarHBondContact O-N 2.82Å; E700-V704 WeakPolarHBondContact O-CG2 3.29Å; E700-V704 PolarHBondContact O-N 3.42Å; E700-Y1176 PolarHBondContact OE1-OH 2.82Å
701S70.8Confident71.5Confident70 Ų7087.7 Ų87.749%0.4946%0.46SS..Hα-helixtrans-65.9-38.8177.5750000113.5N697 K698 V704 S705N697-S701 WeakPolarHBondContact O-CB 3.28Å; N697-S701 PolarHBondContact O-N 3.02Å; N697-S701 PolarHBondContact O-OG 3.39Å; K698-S701 PolarHBondContact O-N 2.83Å; K698-S701 PolarHBondContact O-OG 3.43Å; S701-V704 PolarHBondContact O-N 2.81Å; S701-S705 PolarHBondContact O-N 2.85Å
702E64.5Low71.7Confident79 Ų7987.2 Ų87.237%0.36946%0.458SS..Hα-helixtrans-69.5-37.9174.1-72.9175157.200110.5K698 S705 H706K698-E702 VanDerWaalsContact CE-CD 3.42Å; K698-E702 WeakPolarHBondContact CE-OE1 3.24Å; K698-E702 IonicContact NZ-OE1 2.8Å; K698-E702 PolarHBondContact NZ-OE1 3.29Å; K698-E702 IonicContact NZ-OE2 2.7Å; K698-E702 PolarHBondContact O-N 3.41Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 3.33Å; E702-H706 PolarHBondContact O-N 3.05Å; E702-H706 PolarHBondContact O-ND1 2.86Å
703S65.7Low72.1Confident62 Ų6287.9 Ų87.943%0.43446%0.464SS..Hα-helixtrans-64.6-38.6173.4-175.60000112.5C699 E700 N707C699-S703 WeakPolarHBondContact O-CB 3.2Å; C699-S703 PolarHBondContact O-N 3.23Å; E700-S703 PolarHBondContact O-N 2.82Å; S703-N707 WeakPolarHBondContact O-CB 3.39Å; S703-N707 PolarHBondContact O-N 3.44Å; S703-N707 PolarHBondContact O-ND2 3.46Å
704V74.5Confident72.2Confident91 Ų9190.7 Ų90.755%0.55247%0.471SS*.Hα-helixtrans-67.2-37.8172.9169.70000111.1E700 S701 N707 T708E700-V704 WeakPolarHBondContact O-CG2 3.29Å; E700-V704 PolarHBondContact O-N 3.42Å; S701-V704 PolarHBondContact O-N 2.81Å; V704-N707 PolarHBondContact O-N 2.86Å; V704-T708 WeakPolarHBondContact O-CB 3.36Å; V704-T708 PolarHBondContact O-N 3.48Å; V704-T708 PolarHBondContact O-OG1 3.24Å
705S73.8Confident72.5Confident59 Ų5988.7 Ų88.741%0.41347%0.468SS..Hα-helixtrans-62-51.9173.1-158.90000111.3S701 E702 N707 T708 E709S701-S705 PolarHBondContact O-N 2.85Å; E702-S705 WeakPolarHBondContact O-CB 3.19Å; E702-S705 PolarHBondContact O-N 3.33Å; S705-N707 VanDerWaalsContact C-N 3.34Å; S705-N707 PolarHBondContact O-N 3.42Å; S705-T708 WeakPolarHBondContact O-CB 3.24Å; S705-T708 PolarHBondContact O-N 2.91Å; S705-E709 PolarHBondContact O-N 2.88Å; S705-E709 PolarHBondContact OG-OE1 2.93Å
706H73Confident72.9Confident113 Ų11388.5 Ų88.552%0.52347%0.469SS..Hα-helixtrans-64.1-34.7178.5-70.193.2000112.7E702 E709 L710E702-H706 PolarHBondContact O-N 3.05Å; E702-H706 PolarHBondContact O-ND1 2.86Å; H706-E709 PolarHBondContact O-N 2.9Å; H706-L710 WeakPolarHBondContact O-CB 3.22Å; H706-L710 VanDerWaalsContact O-CG 3.32Å; H706-L710 WeakPolarHBondContact O-CG 3.49Å; H706-L710 PolarHBondContact O-N 3.03Å
707N72.6Confident73.3Confident92 Ų9290.6 Ų90.649%0.49248%0.48SS..Hα-helixtrans-66.8-38.1171.2-88.3-63.9000112.2S703 V704 S705 L710 Q711S703-N707 WeakPolarHBondContact O-CB 3.39Å; S703-N707 PolarHBondContact O-N 3.44Å; S703-N707 PolarHBondContact O-ND2 3.46Å; V704-N707 PolarHBondContact O-N 2.86Å; S705-N707 VanDerWaalsContact C-N 3.34Å; S705-N707 PolarHBondContact O-N 3.42Å; N707-L710 PolarHBondContact O-N 2.88Å; N707-Q711 VanDerWaalsContact O-CB 3.24Å; N707-Q711 WeakPolarHBondContact O-CB 3.19Å; N707-Q711 PolarHBondContact O-N 3.46Å
708T76.9Confident73.7Confident68 Ų6889.7 Ų89.742%0.41748%0.478SS..Hα-helixtrans-66.7-40.4175.6-54.30000110.8V704 S705 Q711 N712V704-T708 WeakPolarHBondContact O-CB 3.36Å; V704-T708 PolarHBondContact O-N 3.48Å; V704-T708 PolarHBondContact O-OG1 3.24Å; S705-T708 WeakPolarHBondContact O-CB 3.24Å; S705-T708 PolarHBondContact O-N 2.91Å; T708-Q711 PolarHBondContact O-N 3.36Å; T708-N712 WeakPolarHBondContact O-CB 3.25Å; T708-N712 PolarHBondContact O-N 3.43Å; T708-N712 PolarHBondContact O-ND2 3.4Å
709E74.4Confident74Confident98 Ų9889.1 Ų89.146%0.45848%0.477SS..Hα-helixtrans-65.5-44.4173.2-73.5171.9-146.800112.1S705 H706 Q711 N712 I713S705-E709 PolarHBondContact O-N 2.88Å; S705-E709 PolarHBondContact OG-OE1 2.93Å; H706-E709 PolarHBondContact O-N 2.9Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.71Å; E709-N712 PolarHBondContact O-N 2.93Å; E709-I713 WeakPolarHBondContact O-CB 3.3Å; E709-I713 VanDerWaalsContact O-CG1 3.25Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 2.73Å
710L73.2Confident74.8Confident102 Ų10288.5 Ų88.553%0.53448%0.475SS..Hα-helixtrans-60.2-42.1172.6-80.6166.8000112H706 N707 I713 Q714H706-L710 WeakPolarHBondContact O-CB 3.22Å; H706-L710 VanDerWaalsContact O-CG 3.32Å; H706-L710 WeakPolarHBondContact O-CG 3.49Å; H706-L710 PolarHBondContact O-N 3.03Å; N707-L710 PolarHBondContact O-N 2.88Å; L710-I713 PolarHBondContact O-N 3.19Å; L710-Q714 WeakPolarHBondContact O-CB 3.44Å; L710-Q714 PolarHBondContact O-N 3.37Å
711Q72.4Confident75.5Confident132 Ų13292.8 Ų92.862%0.61749%0.49SS*.Hα-helixtrans-68.6-34.8178-168.9169.46.200111.9N707 T708 E709 T715N707-Q711 VanDerWaalsContact O-CB 3.24Å; N707-Q711 WeakPolarHBondContact O-CB 3.19Å; N707-Q711 PolarHBondContact O-N 3.46Å; T708-Q711 PolarHBondContact O-N 3.36Å; E709-Q711 VanDerWaalsContact C-N 3.34Å; E709-Q711 PolarHBondContact O-N 2.71Å; Q711-T715 WeakPolarHBondContact O-CB 3.27Å; Q711-T715 PolarHBondContact O-N 2.97Å; Q711-T715 PolarHBondContact O-OG1 3.21Å
712N77Confident76.2Confident94 Ų9495.8 Ų95.850%0.50349%0.494SS..Hα-helixtrans-65.7-49.6170.1-73.5-27.7000111.3T708 E709 Q714 T715 E716T708-N712 WeakPolarHBondContact O-CB 3.25Å; T708-N712 PolarHBondContact O-N 3.43Å; T708-N712 PolarHBondContact O-ND2 3.4Å; E709-N712 PolarHBondContact O-N 2.93Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.73Å; N712-T715 CarbonylContact O-C 3.54Å; N712-T715 WeakPolarHBondContact O-CA 3.18Å; N712-T715 WeakPolarHBondContact O-CB 3.17Å; N712-T715 PolarHBondContact O-N 2.93Å; N712-E716 PolarHBondContact O-N 3.01Å
713I78.8Confident77.1Confident91 Ų9199.1 Ų99.147%0.46750%0.503SS..Hα-helixtrans-60.2-40.2177.3-70.3163.7000111.1E709 L710 T715 E716 L717E709-I713 WeakPolarHBondContact O-CB 3.3Å; E709-I713 VanDerWaalsContact O-CG1 3.25Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 2.73Å; L710-I713 PolarHBondContact O-N 3.19Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.48Å; I713-E716 PolarHBondContact O-N 3.29Å; I713-L717 HydrophobicContact CG2-CD1 4.1Å; I713-L717 WeakPolarHBondContact O-CB 3.4Å; I713-L717 WeakPolarHBondContact O-CG 3.07Å; I713-L717 PolarHBondContact O-N 3.18Å
714Q74.5Confident77.8Confident132 Ų132100.5 Ų100.562%0.61751%0.505SS*.Hα-helixtrans-69.1-30.7176.1-171.2169.6-1.700111.9L710 N712 T718L710-Q714 WeakPolarHBondContact O-CB 3.44Å; L710-Q714 PolarHBondContact O-N 3.37Å; N712-Q714 VanDerWaalsContact C-N 3.31Å; N712-Q714 PolarHBondContact O-N 2.73Å; Q714-T718 WeakPolarHBondContact O-CB 3.47Å; Q714-T718 PolarHBondContact O-N 3.15Å; Q714-T718 PolarHBondContact O-OG1 3.49Å
715T81.3Confident78.1Confident83 Ų83102.1 Ų102.151%0.50951%0.506SS..Hα-helixtrans-71.7-45.8171.8-57.50000111.2Q711 N712 I713 L717 T718 E719Q711-T715 WeakPolarHBondContact O-CB 3.27Å; Q711-T715 PolarHBondContact O-N 2.97Å; Q711-T715 PolarHBondContact O-OG1 3.21Å; N712-T715 CarbonylContact O-C 3.54Å; N712-T715 WeakPolarHBondContact O-CA 3.18Å; N712-T715 WeakPolarHBondContact O-CB 3.17Å; N712-T715 PolarHBondContact O-N 2.93Å; I713-T715 VanDerWaalsContact C-N 3.32Å; I713-T715 PolarHBondContact O-N 3.48Å; T715-L717 PolarHBondContact O-N 3.48Å; T715-T718 PolarHBondContact O-N 3.45Å; T715-E719 PolarHBondContact O-N 3.05Å
716E80.7Confident78.5Confident132 Ų132103.7 Ų103.762%0.61751%0.51SS*.Hα-helixtrans-60.8-42.2174.5-72-167168.400111.6N712 I713 E719 A720N712-E716 PolarHBondContact O-N 3.01Å; I713-E716 PolarHBondContact O-N 3.29Å; E716-E719 PolarHBondContact O-N 3.48Å; E716-A720 VanDerWaalsContact O-CB 3.26Å; E716-A720 WeakPolarHBondContact O-CB 3.14Å; E716-A720 PolarHBondContact O-N 3.27Å
717L78.6Confident79Confident89 Ų89103.3 Ų103.347%0.46651%0.511SS..Hα-helixtrans-61.3-45.3171.7-84166.3000111.8I713 T715 E719 A720 Y721I713-L717 HydrophobicContact CG2-CD1 4.1Å; I713-L717 WeakPolarHBondContact O-CB 3.4Å; I713-L717 WeakPolarHBondContact O-CG 3.07Å; I713-L717 PolarHBondContact O-N 3.18Å; T715-L717 PolarHBondContact O-N 3.48Å; L717-E719 VanDerWaalsContact C-N 3.31Å; L717-E719 PolarHBondContact O-N 2.98Å; L717-A720 PolarHBondContact O-N 3.34Å; L717-Y721 HydrophobicContact CB-CE2 4.47Å; L717-Y721 HydrophobicContact CD2-CE2 4.24Å; L717-Y721 WeakPolarHBondContact O-CD2 2.94Å; L717-Y721 PolarHBondContact O-N 2.97Å
718T82.1Confident79.2Confident69 Ų69104.3 Ų104.342%0.42351%0.513SS..Hα-helixtrans-62.5-38.8178.7-60.80000111.6Q714 T715 K722Q714-T718 WeakPolarHBondContact O-CB 3.47Å; Q714-T718 PolarHBondContact O-N 3.15Å; Q714-T718 PolarHBondContact O-OG1 3.49Å; T715-T718 PolarHBondContact O-N 3.45Å; T718-K722 WeakPolarHBondContact O-CG 3.13Å; T718-K722 PolarHBondContact O-N 3.46Å
719E81.5Confident79.4Confident96 Ų96104.7 Ų104.745%0.44952%0.517SS..Hα-helixtrans-74.2-36.4174.9-148.8-165.2138.600112.2T715 E716 L717 K722 R723T715-E719 PolarHBondContact O-N 3.05Å; E716-E719 PolarHBondContact O-N 3.48Å; L717-E719 VanDerWaalsContact C-N 3.31Å; L717-E719 PolarHBondContact O-N 2.98Å; E719-K722 PolarHBondContact O-N 3.05Å; E719-R723 VanDerWaalsContact CD-NH2 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.48Å; E719-R723 VanDerWaalsContact O-CG 3.24Å; E719-R723 WeakPolarHBondContact O-CG 3.37Å; E719-R723 PolarHBondContact O-N 3.31Å; E719-R723 IonicContact OE1-CZ 2.82Å; E719-R723 IonicContact OE1-NE 3.7Å; E719-R723 PolarHBondContact OE1-NE 3.01Å; E719-R723 IonicContact OE1-NH2 2.75Å; E719-R723 PolarHBondContact OE1-NH2 2.8Å; E719-R723 IonicContact OE2-NH2 3.86Å
720A79.9Confident79.7Confident38 Ų38105.2 Ų105.231%0.31452%0.52SS..Hα-helixtrans-60.6-44.1173.100000111.7E716 L717 R723 I724E716-A720 VanDerWaalsContact O-CB 3.26Å; E716-A720 WeakPolarHBondContact O-CB 3.14Å; E716-A720 PolarHBondContact O-N 3.27Å; L717-A720 PolarHBondContact O-N 3.34Å; A720-R723 PolarHBondContact O-N 3.5Å; A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.01Å
721Y80.1Confident80.1Confident158 Ų158105.2 Ų105.262%0.6252%0.52SS*.Hα-helixtrans-61.2-44.8173.9-77.7-60.6000112L717 R723 I724 E725L717-Y721 HydrophobicContact CB-CE2 4.47Å; L717-Y721 HydrophobicContact CD2-CE2 4.24Å; L717-Y721 WeakPolarHBondContact O-CD2 2.94Å; L717-Y721 PolarHBondContact O-N 2.97Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.22Å; Y721-I724 PolarHBondContact O-N 2.99Å; Y721-E725 WeakPolarHBondContact O-CB 3.27Å; Y721-E725 PolarHBondContact O-N 3.36Å
722K84.7Confident80.5Confident134 Ų134107.4 Ų107.458%0.58352%0.524SS*.Hα-helixtrans-62.1-36174.3-74.1176.4179.2177.40113.1T718 E719 N726T718-K722 WeakPolarHBondContact O-CG 3.13Å; T718-K722 PolarHBondContact O-N 3.46Å; E719-K722 PolarHBondContact O-N 3.05Å; K722-N726 VanDerWaalsContact O-CB 3.29Å; K722-N726 WeakPolarHBondContact O-CB 3.18Å; K722-N726 PolarHBondContact O-N 3.45Å
723R83.2Confident80.7Confident149 Ų149105.8 Ų105.856%0.56252%0.52SS*.Hα-helixtrans-68.1-40.9174.3-70.8169.1-174.8-172.55111.1E719 A720 Y721 L727E719-R723 VanDerWaalsContact CD-NH2 3.29Å; E719-R723 WeakPolarHBondContact O-CB 3.48Å; E719-R723 VanDerWaalsContact O-CG 3.24Å; E719-R723 WeakPolarHBondContact O-CG 3.37Å; E719-R723 PolarHBondContact O-N 3.31Å; E719-R723 IonicContact OE1-CZ 2.82Å; E719-R723 IonicContact OE1-NE 3.7Å; E719-R723 PolarHBondContact OE1-NE 3.01Å; E719-R723 IonicContact OE1-NH2 2.75Å; E719-R723 PolarHBondContact OE1-NH2 2.8Å; E719-R723 IonicContact OE2-NH2 3.86Å; A720-R723 PolarHBondContact O-N 3.5Å; Y721-R723 VanDerWaalsContact C-N 3.31Å; Y721-R723 PolarHBondContact O-N 3.22Å; R723-L727 WeakPolarHBondContact O-CB 3.49Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.24Å; R723-L727 PolarHBondContact O-N 3.49Å
724I81.6Confident80.7Confident91 Ų91103.8 Ų103.847%0.46751%0.514SS..Hα-helixtrans-64.5-45.4175.4-69.9163.7000111.2A720 Y721 N726 L727 Q728A720-I724 VanDerWaalsContact O-CG1 3.29Å; A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.01Å; Y721-I724 PolarHBondContact O-N 2.99Å; I724-N726 PolarHBondContact O-N 2.81Å; I724-L727 PolarHBondContact O-N 3.36Å; I724-Q728 WeakPolarHBondContact O-CG 3.48Å; I724-Q728 PolarHBondContact O-N 3.4Å
725E80.2Confident80.9Confident124 Ų124101.6 Ų101.658%0.57951%0.506SS*.Hα-helixtrans-60.8-44.5177.1-177.4178.1-147.300111.7Y721 Q728 C729Y721-E725 WeakPolarHBondContact O-CB 3.27Å; Y721-E725 PolarHBondContact O-N 3.36Å; E725-Q728 PolarHBondContact O-N 3.49Å; E725-C729 PolarHBondContact O-N 3.34Å; E725-C729 PolarHBondContact O-SG 2.79Å
726N82.1Confident80.8Confident92 Ų92104.2 Ų104.249%0.49251%0.512SS..Hα-helixtrans-64.6-41.5175.4-167.3-12.6000111.7K722 I724 Q728 C729 Q730K722-N726 VanDerWaalsContact O-CB 3.29Å; K722-N726 WeakPolarHBondContact O-CB 3.18Å; K722-N726 PolarHBondContact O-N 3.45Å; I724-N726 PolarHBondContact O-N 2.81Å; N726-Q728 PolarHBondContact O-N 3.11Å; N726-C729 PolarHBondContact O-N 2.83Å; N726-Q730 WeakPolarHBondContact O-CG 3.27Å; N726-Q730 PolarHBondContact O-N 3.24Å; N726-Q730 PolarHBondContact OD1-NE2 2.7Å
727L82.8Confident80.7Confident106 Ų106104.4 Ų104.456%0.55551%0.513SS*.Hα-helixtrans-64.8-36173.9-74.7168.6000112.6R723 I724 Q730 L731R723-L727 WeakPolarHBondContact O-CB 3.49Å; R723-L727 VanDerWaalsContact O-CG 3.23Å; R723-L727 WeakPolarHBondContact O-CG 3.24Å; R723-L727 PolarHBondContact O-N 3.49Å; I724-L727 PolarHBondContact O-N 3.36Å; L727-Q730 PolarHBondContact O-N 3.44Å; L727-L731 VanDerWaalsContact O-CB 3.27Å; L727-L731 WeakPolarHBondContact O-CB 3.25Å; L727-L731 PolarHBondContact O-N 3.18Å
728Q77.8Confident80.5Confident113 Ų113104.5 Ų104.553%0.52851%0.514SS..Hα-helixtrans-64.2-44.2172.1-78-175.6-42.500111.4I724 E725 N726 L731 Y732I724-Q728 WeakPolarHBondContact O-CG 3.48Å; I724-Q728 PolarHBondContact O-N 3.4Å; E725-Q728 PolarHBondContact O-N 3.49Å; N726-Q728 PolarHBondContact O-N 3.11Å; Q728-L731 PolarHBondContact O-N 3.3Å; Q728-Y732 WeakPolarHBondContact O-CD2 3.45Å; Q728-Y732 PolarHBondContact O-N 3.37Å
729C80.8Confident80.3Confident75 Ų75105.1 Ų105.151%0.50752%0.518SS..Hα-helixtrans-60.8-45.7175.5-66.10000111.8E725 N726 L731 Y732 S733E725-C729 PolarHBondContact O-N 3.34Å; E725-C729 PolarHBondContact O-SG 2.79Å; N726-C729 PolarHBondContact O-N 2.83Å; C729-L731 PolarHBondContact O-N 2.99Å; C729-Y732 PolarHBondContact O-N 3.39Å; C729-S733 PolarHBondContact O-N 3.43Å; C729-S733 PolarHBondContact O-OG 2.86Å
730Q79.6Confident80.1Confident109 Ų109106.8 Ų106.851%0.50953%0.525SS..Hα-helixtrans-61.8-41.2175.7-70.8173.637.400112.1N726 L727 S734N726-Q730 WeakPolarHBondContact O-CG 3.27Å; N726-Q730 PolarHBondContact O-N 3.24Å; N726-Q730 PolarHBondContact OD1-NE2 2.7Å; L727-Q730 PolarHBondContact O-N 3.44Å; Q730-S734 VanDerWaalsContact O-CB 3.27Å; Q730-S734 WeakPolarHBondContact O-CB 3.33Å; Q730-S734 PolarHBondContact O-N 2.72Å
731L82.3Confident79.7Confident103 Ų103109.7 Ų109.754%0.53954%0.535SS..Hα-helixtrans-64.2-44.4176.3-178.262.6000111.6L727 Q728 C729 S734 I735L727-L731 VanDerWaalsContact O-CB 3.27Å; L727-L731 WeakPolarHBondContact O-CB 3.25Å; L727-L731 PolarHBondContact O-N 3.18Å; Q728-L731 PolarHBondContact O-N 3.3Å; C729-L731 PolarHBondContact O-N 2.99Å; L731-S734 PolarHBondContact O-N 3.01Å; L731-I735 HydrophobicContact CD1-CD1 4.07Å; L731-I735 HydrophobicContact CD1-CG1 4.33Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 WeakPolarHBondContact O-CB 3.14Å; L731-I735 VanDerWaalsContact O-CG1 3.27Å; L731-I735 WeakPolarHBondContact O-CG1 3.21Å; L731-I735 PolarHBondContact O-N 3.03Å
732Y80.8Confident79.3Confident177 Ų177104.6 Ų104.669%0.69453%0.526SS*.Hα-helixtrans-61.2-48.3176-92.7-72.2000112.1Q728 C729 S734 I735 E736Q728-Y732 WeakPolarHBondContact O-CD2 3.45Å; Q728-Y732 PolarHBondContact O-N 3.37Å; C729-Y732 PolarHBondContact O-N 3.39Å; Y732-S734 VanDerWaalsContact C-N 3.31Å; Y732-S734 PolarHBondContact O-N 3.23Å; Y732-I735 PolarHBondContact O-N 2.87Å; Y732-E736 PolarHBondContact O-N 2.82Å
733S82.2Confident78.8Confident61 Ų61104.9 Ų104.943%0.42753%0.527SS..Hα-helixtrans-63.8-34.7176-63.70000112.8C729 Q737C729-S733 PolarHBondContact O-N 3.43Å; C729-S733 PolarHBondContact O-OG 2.86Å; S733-Q737 WeakPolarHBondContact O-CB 3.16Å; S733-Q737 VanDerWaalsContact O-CG 3.25Å; S733-Q737 WeakPolarHBondContact O-CG 3.45Å; S733-Q737 PolarHBondContact O-N 2.91Å
734S77.6Confident78.3Confident49 Ų49100.2 Ų100.234%0.34352%0.515SS..Hα-helixtrans-69.3-39.7175.1-173.30000112.1Q730 L731 Y732 Q737 N738Q730-S734 VanDerWaalsContact O-CB 3.27Å; Q730-S734 WeakPolarHBondContact O-CB 3.33Å; Q730-S734 PolarHBondContact O-N 2.72Å; L731-S734 PolarHBondContact O-N 3.01Å; Y732-S734 VanDerWaalsContact C-N 3.31Å; Y732-S734 PolarHBondContact O-N 3.23Å; S734-Q737 PolarHBondContact O-N 3.47Å; S734-N738 VanDerWaalsContact O-CB 3.26Å; S734-N738 WeakPolarHBondContact O-CB 3.29Å; S734-N738 PolarHBondContact O-N 3.18Å; S734-N738 PolarHBondContact O-ND2 3.12Å; S734-N738 PolarHBondContact OG-ND2 2.99Å
735I79.7Confident77.5Confident86 Ų8699.9 Ų99.944%0.44151%0.513SS..Hα-helixtrans-63.4-43.9173.3-70.6166.1000110.8L731 Y732 N738 T739L731-I735 HydrophobicContact CD1-CD1 4.07Å; L731-I735 HydrophobicContact CD1-CG1 4.33Å; L731-I735 HydrophobicContact CG-CD1 3.9Å; L731-I735 WeakPolarHBondContact O-CB 3.14Å; L731-I735 VanDerWaalsContact O-CG1 3.27Å; L731-I735 WeakPolarHBondContact O-CG1 3.21Å; L731-I735 PolarHBondContact O-N 3.03Å; Y732-I735 PolarHBondContact O-N 2.87Å; I735-N738 PolarHBondContact O-N 3.29Å; I735-T739 HydrophobicContact CG2-CG2 4.43Å; I735-T739 WeakPolarHBondContact O-CB 3.41Å; I735-T739 WeakPolarHBondContact O-CG2 3.41Å; I735-T739 PolarHBondContact O-N 3.02Å; I735-T739 PolarHBondContact O-OG1 3.33Å
736E78.6Confident76.6Confident137 Ų137101.3 Ų101.364%0.6452%0.519SS*.Hα-helixtrans-62.3-47.7176.7-171.9171.1-152.300111.5Y732 N738 T739 H740Y732-E736 PolarHBondContact O-N 2.82Å; E736-N738 PolarHBondContact O-N 2.93Å; E736-T739 PolarHBondContact O-N 2.84Å; E736-T739 PolarHBondContact O-OG1 3.07Å; E736-H740 PolarHBondContact O-N 2.84Å
737Q78.3Confident75.6Confident136 Ų136104.3 Ų104.364%0.63653%0.53SS*.Hα-helixtrans-59.1-46174.6-74.11735.700112.2S733 S734 H740 L741S733-Q737 WeakPolarHBondContact O-CB 3.16Å; S733-Q737 VanDerWaalsContact O-CG 3.25Å; S733-Q737 WeakPolarHBondContact O-CG 3.45Å; S733-Q737 PolarHBondContact O-N 2.91Å; S734-Q737 PolarHBondContact O-N 3.47Å; Q737-H740 PolarHBondContact O-N 3.29Å; Q737-L741 WeakPolarHBondContact O-CB 3.15Å; Q737-L741 PolarHBondContact O-N 2.92Å
738N74.8Confident74.4Confident92 Ų92105.1 Ų105.149%0.49253%0.531SS..Hα-helixtrans-65.7-39.1179.6-73.8-32.2000112.5S734 I735 E736 H740 L741 A742S734-N738 VanDerWaalsContact O-CB 3.26Å; S734-N738 WeakPolarHBondContact O-CB 3.29Å; S734-N738 PolarHBondContact O-N 3.18Å; S734-N738 PolarHBondContact O-ND2 3.12Å; S734-N738 PolarHBondContact OG-ND2 2.99Å; I735-N738 PolarHBondContact O-N 3.29Å; E736-N738 PolarHBondContact O-N 2.93Å; N738-H740 VanDerWaalsContact C-N 3.35Å; N738-L741 PolarHBondContact O-N 3.32Å; N738-A742 VanDerWaalsContact O-CB 3.3Å; N738-A742 WeakPolarHBondContact O-CB 3.46Å; N738-A742 PolarHBondContact O-N 2.92Å
739T78Confident73.5Confident81 Ų81104.5 Ų104.550%0.49753%0.528SS..Hα-helixtrans-71.2-29176.153.30000112.9I735 E736I735-T739 HydrophobicContact CG2-CG2 4.43Å; I735-T739 WeakPolarHBondContact O-CB 3.41Å; I735-T739 WeakPolarHBondContact O-CG2 3.41Å; I735-T739 PolarHBondContact O-N 3.02Å; I735-T739 PolarHBondContact O-OG1 3.33Å; E736-T739 PolarHBondContact O-N 2.84Å; E736-T739 PolarHBondContact O-OG1 3.07Å
740H76.4Confident72.3Confident132 Ų132106.5 Ų106.561%0.61154%0.538SS*.Hα-helixtrans-74.8-40.4171.7-153.6-45.2000111.9E736 Q737 N738 K743 T744E736-H740 PolarHBondContact O-N 2.84Å; Q737-H740 PolarHBondContact O-N 3.29Å; N738-H740 VanDerWaalsContact C-N 3.35Å; H740-K743 PolarHBondContact O-N 2.91Å; H740-T744 PolarHBondContact O-N 3.06Å; H740-T744 PolarHBondContact O-OG1 3.43Å
741L72.4Confident71.3Confident99 Ų99107.8 Ų107.852%0.51855%0.548SS..Hα-helixtrans-64.5-42.8176.6-163.876.7000111.3Q737 N738 K743 T744 M745Q737-L741 WeakPolarHBondContact O-CB 3.15Å; Q737-L741 PolarHBondContact O-N 2.92Å; N738-L741 PolarHBondContact O-N 3.32Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 2.65Å; L741-T744 PolarHBondContact O-N 2.87Å; L741-M745 HydrophobicContact CD2-SD 4.24Å; L741-M745 HydrophobicContact CG-CG 4.47Å; L741-M745 HydrophobicContact CG-SD 4.15Å; L741-M745 WeakPolarHBondContact O-CB 3.21Å; L741-M745 WeakPolarHBondContact O-CG 3.45Å; L741-M745 PolarHBondContact O-N 3.3Å
742A71.6Confident70.1Confident51 Ų51105.3 Ų105.342%0.42154%0.537SS..Hα-helixtrans-57.1-43.4177.400000112.4N738 M745 E746N738-A742 VanDerWaalsContact O-CB 3.3Å; N738-A742 WeakPolarHBondContact O-CB 3.46Å; N738-A742 PolarHBondContact O-N 2.92Å; A742-M745 PolarHBondContact O-N 3.14Å; A742-E746 WeakPolarHBondContact O-CG 3.26Å; A742-E746 PolarHBondContact O-N 3.47Å
743K74Confident69Low139 Ų139102.6 Ų102.660%0.60453%0.534SS*.Hα-helixtrans-62.7-45.4175.3-74.2176.7177174.80112.4H740 L741 M745 E746 E747H740-K743 PolarHBondContact O-N 2.91Å; L741-K743 VanDerWaalsContact C-N 3.33Å; L741-K743 PolarHBondContact O-N 2.65Å; K743-M745 VanDerWaalsContact C-N 3.3Å; K743-M745 PolarHBondContact O-N 3.48Å; K743-E746 PolarHBondContact O-N 2.81Å; K743-E747 PolarHBondContact O-N 3.39Å; K743-E747 VanDerWaalsContact O-N 3.11Å
744T73.7Confident68.1Low51 Ų51104.3 Ų104.331%0.31355%0.546SS..Hα-helixtrans-65.3-35.6177.8-550000111.5H740 L741 E747 E748H740-T744 PolarHBondContact O-N 3.06Å; H740-T744 PolarHBondContact O-OG1 3.43Å; L741-T744 PolarHBondContact O-N 2.87Å; T744-E747 PolarHBondContact O-N 3.42Å; T744-E748 HydrophobicContact CG2-CG 4.4Å; T744-E748 PolarHBondContact O-N 3.18Å
745M64.1Low67.4Low85 Ų85109 Ų10942%0.41956%0.563SS.*Hα-helixtrans-68.5-37.4174-71.3178.868.700112.9L741 A742 K743 E747 H749L741-M745 HydrophobicContact CD2-SD 4.24Å; L741-M745 HydrophobicContact CG-CG 4.47Å; L741-M745 HydrophobicContact CG-SD 4.15Å; L741-M745 WeakPolarHBondContact O-CB 3.21Å; L741-M745 WeakPolarHBondContact O-CG 3.45Å; L741-M745 PolarHBondContact O-N 3.3Å; A742-M745 PolarHBondContact O-N 3.14Å; K743-M745 VanDerWaalsContact C-N 3.3Å; K743-M745 PolarHBondContact O-N 3.48Å; M745-E747 VanDerWaalsContact C-N 3.27Å; M745-E747 PolarHBondContact O-N 2.8Å; M745-H749 WeakPolarHBondContact CE-NE2 3.25Å; M745-H749 VanDerWaalsContact O-CB 3.25Å; M745-H749 WeakPolarHBondContact O-CB 3.14Å; M745-H749 PolarHBondContact O-CD2 2.94Å; M745-H749 PolarHBondContact O-N 3.35Å
746E61.9Low66.4Low153 Ų153113 Ų11372%0.71557%0.573SS**Hα-helixtrans-63.3-32.7172.2-75.6-175.8150.400112.3A742 K743A742-E746 WeakPolarHBondContact O-CG 3.26Å; A742-E746 PolarHBondContact O-N 3.47Å; K743-E746 PolarHBondContact O-N 2.81Å
747E60.1Low65.7Low156 Ų156113.5 Ų113.573%0.72958%0.576SS**Hα-helixtrans-78.1-40.7175.5-68.9179.7162.100112.9K743 T744 M745K743-E747 PolarHBondContact O-N 3.39Å; K743-E747 VanDerWaalsContact O-N 3.11Å; T744-E747 PolarHBondContact O-N 3.42Å; M745-E747 VanDerWaalsContact C-N 3.27Å; M745-E747 PolarHBondContact O-N 2.8Å
748E58.5Low65.2Low123 Ų123114.2 Ų114.258%0.57558%0.579SS**Hα-helixtrans-83.1-25.1-177.1-71.5-169.5149.400115T744 V750 T752T744-E748 HydrophobicContact CG2-CG 4.4Å; T744-E748 PolarHBondContact O-N 3.18Å; E748-V750 VanDerWaalsContact C-N 3.25Å; E748-V750 PolarHBondContact O-N 3.11Å; E748-T752 WeakPolarHBondContact O-CG2 3.46Å; E748-T752 PolarHBondContact O-N 3.35Å; E748-T752 PolarHBondContact O-OG1 3.29Å
749H57.9Low65Low99 Ų99116.2 Ų116.246%0.45859%0.585SS.*Hα-helixtrans-70.6-16-176.4-87.2-47.5000114.9M745M745-H749 WeakPolarHBondContact CE-NE2 3.25Å; M745-H749 VanDerWaalsContact O-CB 3.25Å; M745-H749 WeakPolarHBondContact O-CB 3.14Å; M745-H749 PolarHBondContact O-CD2 2.94Å; M745-H749 PolarHBondContact O-N 3.35Å
750V56.4Low64.8Low117 Ų117116 Ų11671%0.70958%0.583SS**Hα-helixtrans-71.4-40.7179.2178.60000111.7E748E748-V750 VanDerWaalsContact C-N 3.25Å; E748-V750 PolarHBondContact O-N 3.11Å
751D57.8Low64.5Low137 Ų137118.2 Ų118.273%0.73359%0.588SS**Hα-helixtrans-92.6-36.2-176.4-73.6-24.5000112.8L753D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 2.89Å
752T56.7Low64.5Low50 Ų50119.5 Ų119.531%0.30759%0.591SS.*Hα-helixtrans-70.6-23.1-172.650.70000114.9E748 S754 E755 Y756E748-T752 WeakPolarHBondContact O-CG2 3.46Å; E748-T752 PolarHBondContact O-N 3.35Å; E748-T752 PolarHBondContact O-OG1 3.29Å; T752-S754 PolarHBondContact O-N 3.18Å; T752-S754 VanDerWaalsContact O-N 3.13Å; T752-E755 PolarHBondContact O-N 3.43Å; T752-Y756 PolarHBondContact O-N 3.07Å
753L58.7Low64.4Low121 Ų121122.6 Ų122.663%0.63460%0.6SS**Hα-helixtrans-61-27.7-174.9-136.880.5000113.2D751D751-L753 VanDerWaalsContact C-N 3.34Å; D751-L753 PolarHBondContact O-N 2.89Å
754S63.4Low64.3Low96 Ų96120.7 Ų120.767%0.67160%0.595SS**Hα-helixtrans-76.6-22.5-178.7-169.10000114.3T752T752-S754 PolarHBondContact O-N 3.18Å; T752-S754 VanDerWaalsContact O-N 3.13Å
755E62.9Low64.5Low148 Ų148124.2 Ų124.269%0.69261%0.606SS**Hα-helixtrans-89-37.6178.9-65.4-162.2136.600111.8T752 Q757 Q758 H759T752-E755 PolarHBondContact O-N 3.43Å; E755-Q757 VanDerWaalsContact C-N 3.26Å; E755-Q757 PolarHBondContact O-N 3.22Å; E755-Q758 WeakPolarHBondContact O-CB 3.42Å; E755-Q758 PolarHBondContact O-N 3.21Å; E755-H759 PolarHBondContact O-N 2.93Å
756Y57.4Low65.1Low169 Ų169125.3 Ų125.366%0.66361%0.613SS**Hα-helixtrans-56.9-38177-94-82.7000113.1T752 Q758 H759 V760T752-Y756 PolarHBondContact O-N 3.07Å; Y756-Q758 PolarHBondContact O-N 3.24Å; Y756-H759 PolarHBondContact O-N 3.45Å; Y756-V760 WeakPolarHBondContact O-CG2 3.34Å; Y756-V760 PolarHBondContact O-N 2.99Å
757Q64.2Low65.6Low148 Ų148121.4 Ų121.469%0.69260%0.603SS**Hα-helixtrans-64.9-25.9179.6-162.1170.719.200113E755E755-Q757 VanDerWaalsContact C-N 3.26Å; E755-Q757 PolarHBondContact O-N 3.22Å
758Q68.9Low66.4Low151 Ų151119.1 Ų119.171%0.70660%0.596SS**Hα-helixtrans-78.3-41.7174.5-163.874.41.500111.4E755 Y756 V760 Y761E755-Q758 WeakPolarHBondContact O-CB 3.42Å; E755-Q758 PolarHBondContact O-N 3.21Å; Y756-Q758 PolarHBondContact O-N 3.24Å; Q758-V760 PolarHBondContact O-N 2.89Å; Q758-Y761 PolarHBondContact O-N 3.15Å
759H70.8Confident67.2Low134 Ų134118.8 Ų118.862%0.6259%0.594SS**Hα-helixtrans-66.6-33.4-175.9-112.2-61.9000114.1E755 Y756 Y761 E762 L763E755-H759 PolarHBondContact O-N 2.93Å; Y756-H759 PolarHBondContact O-N 3.45Å; H759-Y761 VanDerWaalsContact C-N 3.27Å; H759-Y761 PolarHBondContact O-N 3.37Å; H759-E762 PolarHBondContact O-N 3.32Å; H759-L763 PolarHBondContact O-N 3.23Å
760V72.5Confident67.8Low76 Ų76116.5 Ų116.546%0.46159%0.593SS.*Hα-helixtrans-61-34.1178.3170.90000112.2Y756 Q758 E762 L763 I764Y756-V760 WeakPolarHBondContact O-CG2 3.34Å; Y756-V760 PolarHBondContact O-N 2.99Å; Q758-V760 PolarHBondContact O-N 2.89Å; V760-E762 PolarHBondContact O-N 2.85Å; V760-L763 PolarHBondContact O-N 3.11Å; V760-I764 HydrophobicContact CG1-CD1 4Å; V760-I764 WeakPolarHBondContact O-CG1 3.31Å; V760-I764 PolarHBondContact O-N 2.77Å
761Y70.9Confident68.4Low180 Ų180114.2 Ų114.271%0.70658%0.581SS**Hα-helixtrans-68.4-32.5-179.4-94.8-76.7000113.8Q758 H759Q758-Y761 PolarHBondContact O-N 3.15Å; H759-Y761 VanDerWaalsContact C-N 3.27Å; H759-Y761 PolarHBondContact O-N 3.37Å
762E72.4Confident69.1Low126 Ų126113.5 Ų113.559%0.58957%0.573SS**Hα-helixtrans-74.7-39.2174.5-74.9-113.1114.900111.9H759 V760 I764 K765 L766H759-E762 PolarHBondContact O-N 3.32Å; V760-E762 PolarHBondContact O-N 2.85Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.33Å; E762-K765 WeakPolarHBondContact O-CB 3.3Å; E762-K765 PolarHBondContact O-N 2.92Å; E762-K765 VanDerWaalsContact O-N 3.1Å; E762-L766 PolarHBondContact O-N 3.17Å
763L68.3Low69.9Low116 Ų116116.7 Ų116.761%0.60759%0.588SS**Hα-helixtrans-59.7-41.5178.6-95.9161.9000112.8H759 V760 K765 L766 S767H759-L763 PolarHBondContact O-N 3.23Å; V760-L763 PolarHBondContact O-N 3.11Å; L763-K765 VanDerWaalsContact C-N 3.25Å; L763-K765 PolarHBondContact O-N 3.47Å; L763-L766 PolarHBondContact O-N 2.83Å; L763-S767 WeakPolarHBondContact O-CB 3.41Å; L763-S767 PolarHBondContact O-N 3.19Å; L763-S767 VanDerWaalsContact O-N 3.08Å
764I73.6Confident70.4Confident99 Ų99116.2 Ų116.251%0.50859%0.585SS.*Hα-helixtrans-61.7-34.7176.7-68.1167.1000111.4V760 E762 N768V760-I764 HydrophobicContact CG1-CD1 4Å; V760-I764 WeakPolarHBondContact O-CG1 3.31Å; V760-I764 PolarHBondContact O-N 2.77Å; E762-I764 VanDerWaalsContact C-N 3.34Å; E762-I764 PolarHBondContact O-N 3.33Å; I764-N768 PolarHBondContact O-ND2 2.89Å
765K77.2Confident70.9Confident124 Ų124117.5 Ų117.554%0.53958%0.584SS.*Hα-helixtrans-68.3-50.2178-175.1-169.3168.7-160.10111.5E762 L763 S767 N768E762-K765 WeakPolarHBondContact O-CB 3.3Å; E762-K765 PolarHBondContact O-N 2.92Å; E762-K765 VanDerWaalsContact O-N 3.1Å; L763-K765 VanDerWaalsContact C-N 3.25Å; L763-K765 PolarHBondContact O-N 3.47Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.5Å; K765-N768 PolarHBondContact O-N 2.82Å
766L76.2Confident71.3Confident109 Ų109116.5 Ų116.557%0.57158%0.577SS**Hα-helixtrans-62.6-36.4-179.3-73.7166.4000112.6E762 L763 N768 E769 A770E762-L766 PolarHBondContact O-N 3.17Å; L763-L766 PolarHBondContact O-N 2.83Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 2.98Å; L766-E769 PolarHBondContact O-N 2.85Å; L766-A770 PolarHBondContact O-N 2.87Å
767S72.7Confident71.9Confident71 Ų71114.3 Ų114.350%0.49757%0.573SS.*Hα-helixtrans-57.5-42.3176.6-173.80000112.8L763 K765 E769 A770 C771L763-S767 WeakPolarHBondContact O-CB 3.41Å; L763-S767 PolarHBondContact O-N 3.19Å; L763-S767 VanDerWaalsContact O-N 3.08Å; K765-S767 VanDerWaalsContact C-N 3.31Å; K765-S767 PolarHBondContact O-N 3.5Å; S767-E769 PolarHBondContact O-N 3.13Å; S767-A770 PolarHBondContact O-N 3.47Å; S767-C771 PolarHBondContact O-N 2.89Å; S767-C771 PolarHBondContact O-SG 3.37Å; S767-C771 VanDerWaalsContact O-SG 3.42Å
768N77.2Confident72Confident108 Ų108110.2 Ų110.258%0.57856%0.561SS**Hα-helixtrans-67.8-35.8-179.2-71.7-52.2000113.1I764 K765 L766 C771I764-N768 PolarHBondContact O-ND2 2.89Å; K765-N768 PolarHBondContact O-N 2.82Å; L766-N768 VanDerWaalsContact C-N 3.32Å; L766-N768 PolarHBondContact O-N 2.98Å; N768-C771 PolarHBondContact O-N 2.75Å
769E76.2Confident72Confident116 Ų116109.7 Ų109.754%0.54256%0.558SS.*Hα-helixtrans-69.5-32.4177.3-67.9178.5-169.500111.9L766 S767L766-E769 PolarHBondContact O-N 2.85Å; S767-E769 PolarHBondContact O-N 3.13Å
770A70.5Confident71.9Confident51 Ų51110.2 Ų110.242%0.42156%0.561SS.*Hα-helixtrans-67.4-3817500000113L766 S767 E772 L773 L774L766-A770 PolarHBondContact O-N 2.87Å; S767-A770 PolarHBondContact O-N 3.47Å; A770-E772 PolarHBondContact O-N 3.49Å; A770-L773 PolarHBondContact O-N 2.77Å; A770-L774 PolarHBondContact O-N 3.45Å
771C67.3Low71.6Confident68 Ų68112 Ų11246%0.45957%0.567SS.*Hα-helixtrans-61.4-37.5-179.1-72.70000113.6S767 N768 L773 L775S767-C771 PolarHBondContact O-N 2.89Å; S767-C771 PolarHBondContact O-SG 3.37Å; S767-C771 VanDerWaalsContact O-SG 3.42Å; N768-C771 PolarHBondContact O-N 2.75Å; C771-L773 VanDerWaalsContact C-N 3.35Å; C771-L773 PolarHBondContact O-N 3.38Å; C771-L775 PolarHBondContact O-N 3.43Å
772E73.7Confident71.4Confident122 Ų122107.2 Ų107.257%0.5756%0.56SS**Hα-helixtrans-65.9-34.7175.9-98.6-135.8-162.600113.3A770 K776A770-E772 PolarHBondContact O-N 3.49Å; E772-K776 PolarHBondContact O-N 2.7Å; E772-K776 IonicContact OE2-NZ 2.7Å; E772-K776 PolarHBondContact OE2-NZ 2.83Å
773L73.6Confident71Confident118 Ų118107.8 Ų107.862%0.61857%0.567SS**Hα-helixtrans-71.9-39.6179.7-77.8167000111.8A770 C771 L775 K776 Q777A770-L773 PolarHBondContact O-N 2.77Å; C771-L773 VanDerWaalsContact C-N 3.35Å; C771-L773 PolarHBondContact O-N 3.38Å; L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 2.85Å; L773-K776 PolarHBondContact O-N 3.34Å; L773-Q777 PolarHBondContact O-N 3.23Å
774L68.8Low71.2Confident111 Ų111109.5 Ų109.558%0.58157%0.57SS**Hα-helixtrans-63.4-38.6175.3-68.8170.4000111.9A770 K776 Q777 S778A770-L774 PolarHBondContact O-N 3.45Å; L774-K776 VanDerWaalsContact C-N 3.31Å; L774-K776 PolarHBondContact O-N 2.81Å; L774-Q777 PolarHBondContact O-N 2.73Å; L774-Q777 VanDerWaalsContact O-N 3.09Å; L774-S778 PolarHBondContact O-N 3.21Å
775L72.9Confident70.9Confident122 Ų122109.3 Ų109.364%0.63957%0.569SS**Hα-helixtrans-60.6-36176.3-108162.2000113.2C771 L773 Q777 S778C771-L775 PolarHBondContact O-N 3.43Å; L773-L775 VanDerWaalsContact C-N 3.33Å; L773-L775 PolarHBondContact O-N 2.85Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; L775-S778 PolarHBondContact O-OG 3.37Å
776K73.1Confident70.4Confident127 Ų127109.4 Ų109.455%0.55258%0.576SS**Hα-helixtrans-75.6-19.5175.4-75.9167.4-179131.30113.6E772 L773 L774E772-K776 PolarHBondContact O-N 2.7Å; E772-K776 IonicContact OE2-NZ 2.7Å; E772-K776 PolarHBondContact OE2-NZ 2.83Å; L773-K776 PolarHBondContact O-N 3.34Å; L774-K776 VanDerWaalsContact C-N 3.31Å; L774-K776 PolarHBondContact O-N 2.81Å
777Q68.6Low70.1Confident124 Ų124108.2 Ų108.258%0.57957%0.574SS**Hα-helixtrans-84.5-31176.6-69.8-174.8-4.200112.8L773 L774 L775 E779 Q780 L781L773-Q777 PolarHBondContact O-N 3.23Å; L774-Q777 PolarHBondContact O-N 2.73Å; L774-Q777 VanDerWaalsContact O-N 3.09Å; L775-Q777 VanDerWaalsContact C-N 3.34Å; Q777-E779 PolarHBondContact O-N 3.06Å; Q777-Q780 PolarHBondContact O-N 2.84Å; Q777-L781 PolarHBondContact O-N 3.24Å
778S66.2Low70Confident62 Ų62109.2 Ų109.243%0.43457%0.573SS.*Hα-helixtrans-65.1-37.4179.967.90000113.1L774 L775 Q780 L781 S782L774-S778 PolarHBondContact O-N 3.21Å; L775-S778 PolarHBondContact O-OG 3.37Å; S778-Q780 VanDerWaalsContact C-N 3.29Å; S778-Q780 PolarHBondContact O-N 2.76Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.86Å; S778-L781 VanDerWaalsContact O-N 3.15Å; S778-S782 PolarHBondContact O-N 3Å
779E70.6Confident69.8Low139 Ų139111.8 Ų111.865%0.6558%0.575SS**Hα-helixtrans-61.9-34174.8-66.2-168.513700112.8Q777 N783Q777-E779 PolarHBondContact O-N 3.06Å; E779-N783 PolarHBondContact O-ND2 2.94Å
780Q68.3Low69.7Low146 Ų146111.4 Ų111.468%0.68258%0.577SS**Hα-helixtrans-75.4-28.7175.3-67.5-160.7-000113.1Q777 S778Q777-Q780 PolarHBondContact O-N 2.84Å; S778-Q780 VanDerWaalsContact C-N 3.29Å; S778-Q780 PolarHBondContact O-N 2.76Å
781L65.3Low69.8Low113 Ų113114.7 Ų114.759%0.59259%0.586SS**Hα-helixtrans-69.9-42.7174-92160.1000111.9Q777 S778 N783 K784 L785Q777-L781 PolarHBondContact O-N 3.24Å; S778-L781 WeakPolarHBondContact O-CB 3.49Å; S778-L781 PolarHBondContact O-N 2.86Å; S778-L781 VanDerWaalsContact O-N 3.15Å; L781-N783 VanDerWaalsContact C-N 3.3Å; L781-N783 PolarHBondContact O-N 3.07Å; L781-K784 PolarHBondContact O-N 2.76Å; L781-L785 PolarHBondContact O-N 3.46Å
782S66.8Low70Confident79 Ų79115.9 Ų115.955%0.55259%0.587SS**Hα-helixtrans-52-47.3178.4-176.80000112.5S778 K784 L785S778-S782 PolarHBondContact O-N 3Å; S782-K784 PolarHBondContact O-N 2.75Å; S782-L785 PolarHBondContact O-N 3.4Å
783N64.6Low70Confident139 Ų139115.3 Ų115.374%0.74359%0.585SS**Hα-helixtrans-65.3-11.5179.5-72.7-64.3000114.9E779 L781E779-N783 PolarHBondContact O-ND2 2.94Å; L781-N783 VanDerWaalsContact C-N 3.3Å; L781-N783 PolarHBondContact O-N 3.07Å
784K71.6Confident70Confident151 Ų151113.9 Ų113.966%0.65758%0.581SS**Hα-helixtrans-99.3-9.7174.4-68.7-179.1178.8175.70113.8L781 S782L781-K784 PolarHBondContact O-N 2.76Å; S782-K784 PolarHBondContact O-N 2.75Å
785L67.3Low70.2Confident96 Ų96110.9 Ų110.950%0.50357%0.572SS.*Hα-helixtrans-84.5-35.1-170.6-138.774.6000113.6L781 S782 I788 W789L781-L785 PolarHBondContact O-N 3.46Å; S782-L785 PolarHBondContact O-N 3.4Å; L785-I788 WeakPolarHBondContact O-CB 3.35Å; L785-I788 PolarHBondContact O-N 2.93Å; L785-W789 PolarHBondContact O-N 2.78Å
786N68.2Low70.3Confident126 Ų126110.4 Ų110.467%0.67457%0.57SS**Hα-helixtrans-51.3-44.1-177.1-880.8000115.1I788 W789N786-I788 PolarHBondContact O-N 3.38Å; N786-W789 PolarHBondContact O-N 3.34Å
787P68.9Low70.5Confident83 Ų83110.8 Ų110.854%0.53957%0.574SS.*Hα-helixtrans-64.4-27.1178-22.834.8000114
788I70.9Confident70.8Confident93 Ų93113.5 Ų113.548%0.47758%0.579SS.*Hα-helixtrans-75.5-36.4178.5-55.8174.4000109.8L785 N786 N790 I791 L792L785-I788 WeakPolarHBondContact O-CB 3.35Å; L785-I788 PolarHBondContact O-N 2.93Å; N786-I788 PolarHBondContact O-N 3.38Å; I788-N790 PolarHBondContact O-N 2.77Å; I788-I791 WeakPolarHBondContact O-CB 3.35Å; I788-I791 PolarHBondContact O-N 3.01Å; I788-I791 VanDerWaalsContact O-N 3.09Å; I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 PolarHBondContact O-N 3.46Å
789W73Confident71.2Confident161 Ų161115 Ų11561%0.6158%0.581SS**Hα-helixtrans-61.2-44.9-179.4-155-101.6000112.7L785 N786 I791 L792 E793L785-W789 PolarHBondContact O-N 2.78Å; N786-W789 PolarHBondContact O-N 3.34Å; W789-I791 PolarHBondContact O-N 3.09Å; W789-L792 HydrophobicContact CZ3-CD2 4.44Å; W789-L792 WeakPolarHBondContact O-CB 3.31Å; W789-L792 PolarHBondContact O-N 3.45Å; W789-L792 VanDerWaalsContact O-N 3.1Å; W789-E793 PolarHBondContact O-N 3.06Å
790N72.8Confident71.2Confident108 Ų108111 Ų11158%0.57857%0.573SS**Hα-helixtrans-61.4-28.5175.6-67.710.1000112.9I788 T794I788-N790 PolarHBondContact O-N 2.77Å; N790-T794 PolarHBondContact O-N 3.4Å; N790-T794 PolarHBondContact O-OG1 3.08Å
791I73.1Confident71.5Confident121 Ų121109.7 Ų109.762%0.62157%0.57SS**Hα-helixtrans-76.1-39.4176-63.3171.7000110.4I788 W789 T794 A795I788-I791 WeakPolarHBondContact O-CB 3.35Å; I788-I791 PolarHBondContact O-N 3.01Å; I788-I791 VanDerWaalsContact O-N 3.09Å; W789-I791 PolarHBondContact O-N 3.09Å; I791-T794 PolarHBondContact O-N 2.85Å; I791-A795 PolarHBondContact O-N 2.94Å; I791-A795 VanDerWaalsContact O-N 3.07Å
792L71.8Confident71.8Confident93 Ų93108.6 Ų108.649%0.48756%0.563SS.*Hα-helixtrans-59.8-48.4171.3-99.283000111.5I788 W789 T794 A795 D796I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 PolarHBondContact O-N 3.46Å; W789-L792 HydrophobicContact CZ3-CD2 4.44Å; W789-L792 WeakPolarHBondContact O-CB 3.31Å; W789-L792 PolarHBondContact O-N 3.45Å; W789-L792 VanDerWaalsContact O-N 3.1Å; L792-T794 PolarHBondContact O-N 3.21Å; L792-A795 CarbonylContact O-C 3.59Å; L792-A795 WeakPolarHBondContact O-CA 3.48Å; L792-A795 WeakPolarHBondContact O-CB 3.46Å; L792-A795 PolarHBondContact O-N 2.83Å; L792-D796 PolarHBondContact O-N 2.96Å
793E74.4Confident72.1Confident110 Ų110109 Ų10951%0.51456%0.559SS.*Hα-helixtrans-62.2-33.8-179.2-167.4169.7-175.100112W789 A795 Q797W789-E793 PolarHBondContact O-N 3.06Å; E793-A795 VanDerWaalsContact C-N 3.35Å; E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.16Å
794T73.2Confident72.6Confident87 Ų87106.3 Ų106.353%0.53455%0.548SS..Hα-helixtrans-70.1-28.7171.8-52.80000112.7N790 I791 L792 R798N790-T794 PolarHBondContact O-N 3.4Å; N790-T794 PolarHBondContact O-OG1 3.08Å; I791-T794 PolarHBondContact O-N 2.85Å; L792-T794 PolarHBondContact O-N 3.21Å; T794-R798 WeakPolarHBondContact O-CG 3.48Å
795A72.9Confident72.8Confident49 Ų49103.9 Ų103.941%0.40554%0.542SS..Hα-helixtrans-78.4-39.1175.600000112I791 L792 E793 Q797 R798 L799I791-A795 PolarHBondContact O-N 2.94Å; I791-A795 VanDerWaalsContact O-N 3.07Å; L792-A795 CarbonylContact O-C 3.59Å; L792-A795 WeakPolarHBondContact O-CA 3.48Å; L792-A795 WeakPolarHBondContact O-CB 3.46Å; L792-A795 PolarHBondContact O-N 2.83Å; E793-A795 VanDerWaalsContact C-N 3.35Å; A795-Q797 PolarHBondContact O-N 2.85Å; A795-R798 WeakPolarHBondContact O-CA 3.44Å; A795-R798 WeakPolarHBondContact O-CB 3.07Å; A795-R798 PolarHBondContact O-N 2.96Å; A795-L799 PolarHBondContact O-N 3.42Å
796D75.5Confident73.1Confident111 Ų111103.2 Ų103.259%0.59454%0.539SS*.Hα-helixtrans-64-41.5-179.2-158.249.6000111.8L792 R798 L799 A800L792-D796 PolarHBondContact O-N 2.96Å; D796-R798 PolarHBondContact O-N 3.01Å; D796-R798 VanDerWaalsContact O-N 3.17Å; D796-L799 WeakPolarHBondContact O-CB 3.36Å; D796-L799 PolarHBondContact O-N 2.91Å; D796-L799 VanDerWaalsContact O-N 3.08Å; D796-A800 PolarHBondContact O-N 2.66Å
797Q75.6Confident73.2Confident135 Ų135101.5 Ų101.563%0.63153%0.529SS*.Hα-helixtrans-58.8-27.5170.9-70.1176.715.500113.4E793 A795 L801E793-Q797 WeakPolarHBondContact O-CG 3.37Å; E793-Q797 PolarHBondContact O-N 3.16Å; A795-Q797 PolarHBondContact O-N 2.85Å; Q797-L801 PolarHBondContact O-N 2.75Å
798R76.3Confident73.5Confident182 Ų182100.6 Ų100.669%0.68753%0.525SS*.Hα-helixtrans-83.5-31.9175.8-62.3-179.777-165.83.1112.1T794 A795 D796 L801 I802T794-R798 WeakPolarHBondContact O-CG 3.48Å; A795-R798 WeakPolarHBondContact O-CA 3.44Å; A795-R798 WeakPolarHBondContact O-CB 3.07Å; A795-R798 PolarHBondContact O-N 2.96Å; D796-R798 PolarHBondContact O-N 3.01Å; D796-R798 VanDerWaalsContact O-N 3.17Å; R798-L801 PolarHBondContact O-N 2.95Å; R798-I802 WeakPolarHBondContact O-CG1 3.38Å; R798-I802 PolarHBondContact O-N 2.82Å; R798-I802 VanDerWaalsContact O-N 3.1Å
799L73.3Confident73.5Confident92 Ų92100.5 Ų100.548%0.48253%0.528SS..Hα-helixtrans-64.5-43170.3-77166.4000111.3A795 D796 L801 I802 N803A795-L799 PolarHBondContact O-N 3.42Å; D796-L799 WeakPolarHBondContact O-CB 3.36Å; D796-L799 PolarHBondContact O-N 2.91Å; D796-L799 VanDerWaalsContact O-N 3.08Å; L799-L801 VanDerWaalsContact C-N 3.29Å; L799-L801 PolarHBondContact O-N 3.39Å; L799-I802 PolarHBondContact O-N 3.2Å; L799-N803 PolarHBondContact O-N 3.02Å; L799-N803 PolarHBondContact O-OD1 2.81Å
800A72Confident73.4Confident57 Ų5797.1 Ų97.147%0.47152%0.522SS..Hα-helixtrans-57.3-39.9174.900000113D796 T804D796-A800 PolarHBondContact O-N 2.66Å; A800-T804 PolarHBondContact O-N 3Å; A800-T804 PolarHBondContact O-OG1 3.02Å
801L73.3Confident73.5Confident117 Ų11796.1 Ų96.161%0.61352%0.519SS*.Hα-helixtrans-72.2-27.3175.6-169.166.4000112.9Q797 R798 L799 T804 N805Q797-L801 PolarHBondContact O-N 2.75Å; R798-L801 PolarHBondContact O-N 2.95Å; L799-L801 VanDerWaalsContact C-N 3.29Å; L799-L801 PolarHBondContact O-N 3.39Å; L801-T804 PolarHBondContact O-OG1 2.84Å; L801-N805 PolarHBondContact O-ND2 2.71Å
802I72.4Confident73.6Confident90 Ų9095.3 Ų95.346%0.46252%0.52SS..Hα-helixtrans-73.9-44.4173.6-71.9165.2000110.3R798 L799 T804 N805 I806R798-I802 WeakPolarHBondContact O-CG1 3.38Å; R798-I802 PolarHBondContact O-N 2.82Å; R798-I802 VanDerWaalsContact O-N 3.1Å; L799-I802 PolarHBondContact O-N 3.2Å; I802-T804 PolarHBondContact O-N 3.02Å; I802-N805 PolarHBondContact O-N 3.28Å; I802-I806 HydrophobicContact CG2-CD1 3.69Å; I802-I806 HydrophobicContact CG2-CG1 4.33Å; I802-I806 WeakPolarHBondContact O-CG1 3.31Å; I802-I806 PolarHBondContact O-N 2.77Å
803N72.1Confident73.4Confident87 Ų8793.6 Ų93.647%0.46551%0.513SS..Hα-helixtrans-58.5-48.3-180-72.11.2000112.1L799 N805 I806 D807L799-N803 PolarHBondContact O-N 3.02Å; L799-N803 PolarHBondContact O-OD1 2.81Å; N803-N805 PolarHBondContact O-N 3.23Å; N803-I806 CarbonylContact O-C 3.59Å; N803-I806 WeakPolarHBondContact O-CA 3.37Å; N803-I806 WeakPolarHBondContact O-CB 3.47Å; N803-I806 PolarHBondContact O-N 3.38Å; N803-D807 VanDerWaalsContact O-CG 3.28Å; N803-D807 PolarHBondContact O-N 3.16Å
804T76.3Confident73.1Confident84 Ų8491.9 Ų91.952%0.51551%0.513SS..Hα-helixtrans-61.5-29.3178.748.50000113.9A800 L801 I802 S808A800-T804 PolarHBondContact O-N 3Å; A800-T804 PolarHBondContact O-OG1 3.02Å; L801-T804 PolarHBondContact O-OG1 2.84Å; I802-T804 PolarHBondContact O-N 3.02Å; T804-S808 PolarHBondContact O-N 3.45Å
805N75.1Confident73.1Confident99 Ų9994.5 Ų94.553%0.52952%0.517SS..Hα-helixtrans-73.3-41.6170.5-77.6-73.7000111.6L801 I802 N803 S808 V809L801-N805 PolarHBondContact O-ND2 2.71Å; I802-N805 PolarHBondContact O-N 3.28Å; N803-N805 PolarHBondContact O-N 3.23Å; N805-S808 PolarHBondContact O-N 2.75Å; N805-S808 PolarHBondContact O-OG 2.72Å; N805-V809 PolarHBondContact O-N 2.9Å
806I73.3Confident73.1Confident83 Ų8399.6 Ų99.643%0.42653%0.526SS..Hα-helixtrans-60.2-45.6174.8-69.3170.7000110.8I802 N803 S808 V809 L810I802-I806 HydrophobicContact CG2-CD1 3.69Å; I802-I806 HydrophobicContact CG2-CG1 4.33Å; I802-I806 WeakPolarHBondContact O-CG1 3.31Å; I802-I806 PolarHBondContact O-N 2.77Å; N803-I806 CarbonylContact O-C 3.59Å; N803-I806 WeakPolarHBondContact O-CA 3.37Å; N803-I806 WeakPolarHBondContact O-CB 3.47Å; N803-I806 PolarHBondContact O-N 3.38Å; I806-S808 VanDerWaalsContact C-N 3.27Å; I806-S808 PolarHBondContact O-N 3.33Å; I806-V809 CarbonylContact O-C 3.59Å; I806-V809 PolarHBondContact O-N 2.89Å; I806-L810 HydrophobicContact CG2-CD1 3.78Å; I806-L810 HydrophobicContact CG2-CG 4.05Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.84Å
807D70.9Confident72.9Confident89 Ų89100.8 Ų100.848%0.47653%0.526SS..Hα-helixtrans-56.3-41.5177.5-65-34.3000111.6N803 V809 L810 V811N803-D807 VanDerWaalsContact O-CG 3.28Å; N803-D807 PolarHBondContact O-N 3.16Å; D807-V809 VanDerWaalsContact C-N 3.34Å; D807-V809 PolarHBondContact O-N 2.73Å; D807-L810 PolarHBondContact O-N 3.27Å; D807-V811 WeakPolarHBondContact O-CG2 3.37Å; D807-V811 PolarHBondContact O-N 3.49Å
808S74.5Confident72.6Confident65 Ų65100.8 Ų100.846%0.45553%0.526SS..Hα-helixtrans-63.4-37.9176.680.50000112.9T804 N805 I806 V812T804-S808 PolarHBondContact O-N 3.45Å; N805-S808 PolarHBondContact O-N 2.75Å; N805-S808 PolarHBondContact O-OG 2.72Å; I806-S808 VanDerWaalsContact C-N 3.27Å; I806-S808 PolarHBondContact O-N 3.33Å; S808-V812 WeakPolarHBondContact O-CG2 3.34Å; S808-V812 PolarHBondContact O-N 3.04Å
809V72Confident72.3Confident90 Ų9096.4 Ų96.455%0.54552%0.519SS..Hα-helixtrans-72.3-40176.1175.40000110.7N805 I806 D807 V812 T813N805-V809 PolarHBondContact O-N 2.9Å; I806-V809 CarbonylContact O-C 3.59Å; I806-V809 PolarHBondContact O-N 2.89Å; D807-V809 VanDerWaalsContact C-N 3.34Å; D807-V809 PolarHBondContact O-N 2.73Å; V809-V812 PolarHBondContact O-N 2.82Å; V809-T813 VanDerWaalsContact O-CB 3.29Å; V809-T813 WeakPolarHBondContact O-CB 3.32Å; V809-T813 PolarHBondContact O-N 3.42Å; V809-T813 PolarHBondContact O-OG1 3.06Å
810L69.9Low72.3Confident90 Ų9097.6 Ų97.647%0.47152%0.518SS..Hα-helixtrans-62.2-44.7175.3-71.4175.5000111.2I806 D807 V812 T813 C814I806-L810 HydrophobicContact CG2-CD1 3.78Å; I806-L810 HydrophobicContact CG2-CG 4.05Å; I806-L810 WeakPolarHBondContact O-CG 3.47Å; I806-L810 PolarHBondContact O-N 2.84Å; D807-L810 PolarHBondContact O-N 3.27Å; L810-V812 PolarHBondContact O-N 3.06Å; L810-T813 CarbonylContact O-C 3.56Å; L810-T813 PolarHBondContact O-N 3.32Å; L810-T813 VanDerWaalsContact O-N 3.14Å; L810-C814 WeakPolarHBondContact O-CB 3.35Å; L810-C814 PolarHBondContact O-N 3.09Å; L810-C814 PolarHBondContact O-SG 3.12Å
811V75Confident72.1Confident87 Ų8797.2 Ų97.253%0.52752%0.515SS..Hα-helixtrans-61-42.2177.2168.90000112.2D807 T813 K815D807-V811 WeakPolarHBondContact O-CG2 3.37Å; D807-V811 PolarHBondContact O-N 3.49Å; V811-T813 VanDerWaalsContact C-N 3.35Å; V811-K815 PolarHBondContact O-N 2.99Å; V811-K815 VanDerWaalsContact O-N 3.09Å
812V74.8Confident72Confident105 Ų10595 Ų9564%0.63651%0.506SS*.Hα-helixtrans-65.4-40.1174.6172.30000111.2S808 V809 L810 K815 R816S808-V812 WeakPolarHBondContact O-CG2 3.34Å; S808-V812 PolarHBondContact O-N 3.04Å; V809-V812 PolarHBondContact O-N 2.82Å; L810-V812 PolarHBondContact O-N 3.06Å; V812-K815 PolarHBondContact O-N 3.18Å; V812-R816 PolarHBondContact O-N 2.63Å; V812-R816 VanDerWaalsContact O-N 3.12Å
813T69Low72Confident56 Ų5693.2 Ų93.234%0.34450%0.502SS..Hα-helixtrans-68.2-42.2179.5-56.10000111.5V809 L810 V811 R816 F817V809-T813 VanDerWaalsContact O-CB 3.29Å; V809-T813 WeakPolarHBondContact O-CB 3.32Å; V809-T813 PolarHBondContact O-N 3.42Å; V809-T813 PolarHBondContact O-OG1 3.06Å; L810-T813 CarbonylContact O-C 3.56Å; L810-T813 PolarHBondContact O-N 3.32Å; L810-T813 VanDerWaalsContact O-N 3.14Å; V811-T813 VanDerWaalsContact C-N 3.35Å; T813-R816 PolarHBondContact O-N 3.11Å; T813-F817 HydrophobicContact CG2-CD2 3.76Å; T813-F817 HydrophobicContact CG2-CE2 3.51Å; T813-F817 HydrophobicContact CG2-CZ 4.45Å; T813-F817 WeakPolarHBondContact O-CD2 3.34Å; T813-F817 PolarHBondContact O-N 3.01Å
814C67.6Low71.7Confident74 Ų7492.5 Ų92.550%0.550%0.5SS..Hα-helixtrans-63-43.1174.7-71.10000112.1L810 R816 F817 Q818L810-C814 WeakPolarHBondContact O-CB 3.35Å; L810-C814 PolarHBondContact O-N 3.09Å; L810-C814 PolarHBondContact O-SG 3.12Å; C814-R816 VanDerWaalsContact C-N 3.27Å; C814-R816 PolarHBondContact O-N 2.66Å; C814-F817 PolarHBondContact O-N 2.81Å; C814-Q818 WeakPolarHBondContact O-CB 3.22Å; C814-Q818 PolarHBondContact O-N 2.85Å
815K73.8Confident71.1Confident142 Ų14290 Ų9062%0.61748%0.483SS*.Hα-helixtrans-59.9-38.7173.2-77.1-172.5175.4-172.40112.2V811 V812 Q818 T819V811-K815 PolarHBondContact O-N 2.99Å; V811-K815 VanDerWaalsContact O-N 3.09Å; V812-K815 PolarHBondContact O-N 3.18Å; K815-Q818 PolarHBondContact O-N 3.41Å; K815-T819 PolarHBondContact O-N 2.76Å; K815-T819 PolarHBondContact O-OG1 3.19Å
816R73.3Confident70.8Confident157 Ų15791 Ų9159%0.59249%0.485SS*.Hα-helixtrans-69.7-41.9177.2-170.7172.7172178.7-5.1112.1V812 T813 C814 T819 Y820V812-R816 PolarHBondContact O-N 2.63Å; V812-R816 VanDerWaalsContact O-N 3.12Å; T813-R816 PolarHBondContact O-N 3.11Å; C814-R816 VanDerWaalsContact C-N 3.27Å; C814-R816 PolarHBondContact O-N 2.66Å; R816-T819 WeakPolarHBondContact O-CB 3.07Å; R816-T819 PolarHBondContact O-N 2.97Å; R816-Y820 HydrophobicContact CG-CD2 4.32Å; R816-Y820 HydrophobicContact CG-CE2 3.7Å; R816-Y820 PolarHBondContact NE-OH 3.39Å; R816-Y820 PolarHBondContact NH2-OH 3.37Å; R816-Y820 VanDerWaalsContact O-CD2 3.31Å; R816-Y820 WeakPolarHBondContact O-CD2 3.12Å; R816-Y820 PolarHBondContact O-N 2.77Å
817F71.3Confident70.4Confident136 Ų13692.3 Ų92.360%0.59649%0.492SS*.Hα-helixtrans-63.1-38.5170.8-80.1-53.6000112.6T813 C814 T819 Y820 A821T813-F817 HydrophobicContact CG2-CD2 3.76Å; T813-F817 HydrophobicContact CG2-CE2 3.51Å; T813-F817 HydrophobicContact CG2-CZ 4.45Å; T813-F817 WeakPolarHBondContact O-CD2 3.34Å; T813-F817 PolarHBondContact O-N 3.01Å; C814-F817 PolarHBondContact O-N 2.81Å; F817-T819 VanDerWaalsContact C-N 3.33Å; F817-T819 PolarHBondContact O-N 3.22Å; F817-Y820 HydrophobicContact CD1-CD2 4.32Å; F817-Y820 CarbonylContact O-C 3.57Å; F817-Y820 PolarHBondContact O-N 2.87Å; F817-A821 WeakPolarHBondContact O-CB 3.45Å; F817-A821 PolarHBondContact O-N 3.36Å
818Q69.4Low70.1Confident134 Ų13492.1 Ų92.163%0.62649%0.488SS*.Hα-helixtrans-66.2-36.8176.1-167.8170.416.200111.5C814 K815 A821 T822C814-Q818 WeakPolarHBondContact O-CB 3.22Å; C814-Q818 PolarHBondContact O-N 2.85Å; K815-Q818 PolarHBondContact O-N 3.41Å; Q818-A821 PolarHBondContact O-N 3.33Å; Q818-T822 PolarHBondContact O-N 3.43Å; Q818-T822 VanDerWaalsContact O-N 3.08Å; Q818-T822 PolarHBondContact O-OG1 3.1Å
819T70Confident69.8Low90 Ų9092 Ų9255%0.55248%0.482SS*.Hα-helixtrans-62.2-44.5171.2-47.90000111K815 R816 F817 T822 S823K815-T819 PolarHBondContact O-N 2.76Å; K815-T819 PolarHBondContact O-OG1 3.19Å; R816-T819 WeakPolarHBondContact O-CB 3.07Å; R816-T819 PolarHBondContact O-N 2.97Å; F817-T819 VanDerWaalsContact C-N 3.33Å; F817-T819 PolarHBondContact O-N 3.22Å; T819-T822 PolarHBondContact O-N 2.99Å; T819-S823 PolarHBondContact O-N 3.14Å; T819-S823 PolarHBondContact O-OG 3.23Å
820Y72.7Confident69.8Low117 Ų11792.5 Ų92.546%0.45948%0.479SS..Hα-helixtrans-65.7-35.8174.8-64-39000112.8R816 F817 S823 V824R816-Y820 HydrophobicContact CG-CD2 4.32Å; R816-Y820 HydrophobicContact CG-CE2 3.7Å; R816-Y820 PolarHBondContact NE-OH 3.39Å; R816-Y820 PolarHBondContact NH2-OH 3.37Å; R816-Y820 VanDerWaalsContact O-CD2 3.31Å; R816-Y820 WeakPolarHBondContact O-CD2 3.12Å; R816-Y820 PolarHBondContact O-N 2.77Å; F817-Y820 HydrophobicContact CD1-CD2 4.32Å; F817-Y820 CarbonylContact O-C 3.57Å; F817-Y820 PolarHBondContact O-N 2.87Å; Y820-S823 PolarHBondContact O-N 3.05Å; Y820-V824 WeakPolarHBondContact O-CB 3.31Å; Y820-V824 VanDerWaalsContact O-CG2 3.31Å; Y820-V824 WeakPolarHBondContact O-CG2 3.25Å; Y820-V824 PolarHBondContact O-N 3.3Å
821A66.6Low69.5Low49 Ų4992.3 Ų92.341%0.40548%0.478SS..Hα-helixtrans-62.5-45176.600000111.1F817 Q818 S823 V824 E825F817-A821 WeakPolarHBondContact O-CB 3.45Å; F817-A821 PolarHBondContact O-N 3.36Å; Q818-A821 PolarHBondContact O-N 3.33Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 3.1Å; A821-V824 CarbonylContact O-C 3.59Å; A821-V824 WeakPolarHBondContact O-CA 3.4Å; A821-V824 PolarHBondContact O-N 2.83Å; A821-V824 VanDerWaalsContact O-N 3.09Å; A821-E825 WeakPolarHBondContact O-CG 3.32Å; A821-E825 PolarHBondContact O-N 2.76Å
822T71.7Confident69.1Low70 Ų7092.4 Ų92.443%0.42948%0.478SS..Hα-helixtrans-65.1-35.6175.6-52.10000112.5Q818 T819 V824 E825 Q826Q818-T822 PolarHBondContact O-N 3.43Å; Q818-T822 VanDerWaalsContact O-N 3.08Å; Q818-T822 PolarHBondContact O-OG1 3.1Å; T819-T822 PolarHBondContact O-N 2.99Å; T822-V824 VanDerWaalsContact C-N 3.34Å; T822-E825 WeakPolarHBondContact CA-OE2 3.38Å; T822-E825 PolarHBondContact O-N 3.08Å; T822-Q826 PolarHBondContact O-N 3.48Å
823S72.7Confident68.8Low53 Ų5392.4 Ų92.437%0.37147%0.474SS..Hα-helixtrans-66-35.4170.8-56.90000112.7T819 Y820 A821 Q826 L827T819-S823 PolarHBondContact O-N 3.14Å; T819-S823 PolarHBondContact O-OG 3.23Å; Y820-S823 PolarHBondContact O-N 3.05Å; A821-S823 VanDerWaalsContact C-N 3.34Å; A821-S823 PolarHBondContact O-N 3.1Å; S823-Q826 PolarHBondContact O-N 2.73Å; S823-L827 WeakPolarHBondContact O-CG 2.9Å; S823-L827 PolarHBondContact O-N 3.16Å
824V64.9Low68.7Low72 Ų7292.9 Ų92.944%0.43647%0.474SS..Hα-helixtrans-71.4-37.5174.8169.20000111.2Y820 A821 T822 Q826 L827 Q828Y820-V824 WeakPolarHBondContact O-CB 3.31Å; Y820-V824 VanDerWaalsContact O-CG2 3.31Å; Y820-V824 WeakPolarHBondContact O-CG2 3.25Å; Y820-V824 PolarHBondContact O-N 3.3Å; A821-V824 CarbonylContact O-C 3.59Å; A821-V824 WeakPolarHBondContact O-CA 3.4Å; A821-V824 PolarHBondContact O-N 2.83Å; A821-V824 VanDerWaalsContact O-N 3.09Å; T822-V824 VanDerWaalsContact C-N 3.34Å; V824-Q826 PolarHBondContact O-N 3.28Å; V824-L827 PolarHBondContact O-N 3.46Å; V824-Q828 HydrophobicContact CG1-CG 4.25Å; V824-Q828 WeakPolarHBondContact O-CB 3.34Å; V824-Q828 VanDerWaalsContact O-CG 3.29Å; V824-Q828 WeakPolarHBondContact O-CG 2.95Å; V824-Q828 PolarHBondContact O-N 2.81Å
825E65.1Low68.6Low33 Ų3395.6 Ų95.615%0.15448%0.477CS..Hα-helixtrans-60.2-43.4171.3-74.2173.9132.500111.3A821 T822 Q828 N829 Q1550 L1553A821-E825 WeakPolarHBondContact O-CG 3.32Å; A821-E825 PolarHBondContact O-N 2.76Å; T822-E825 WeakPolarHBondContact CA-OE2 3.38Å; T822-E825 PolarHBondContact O-N 3.08Å; E825-Q828 PolarHBondContact O-N 2.7Å; E825-N829 PolarHBondContact O-N 3.47Å; E825-N829 PolarHBondContact O-ND2 2.8Å; E825-Q1550 WeakPolarHBondContact OE1-CG 3.41Å; E825-Q1550 PolarHBondContact OE1-NE2 3.45Å; E825-L1553 HydrophobicContact CG-CD1 3.93Å
826Q69.3Low68.3Low120 Ų12092.1 Ų92.156%0.56147%0.471SS*.Hα-helixtrans-61.4-48.3173.8-72-172.1-87.300111.9T822 S823 V824 Q828 N829 E830T822-Q826 PolarHBondContact O-N 3.48Å; S823-Q826 PolarHBondContact O-N 2.73Å; V824-Q826 PolarHBondContact O-N 3.28Å; Q826-Q828 VanDerWaalsContact C-N 3.31Å; Q826-Q828 PolarHBondContact O-N 2.87Å; Q826-N829 PolarHBondContact O-N 3.37Å; Q826-E830 PolarHBondContact O-N 2.76Å
827L63.1Low67.9Low110 Ų11088.3 Ų88.358%0.57646%0.462SS*.Hα-helixtrans-65.6-31.5177.7-71.5170000112.7S823 V824 L831S823-L827 WeakPolarHBondContact O-CG 2.9Å; S823-L827 PolarHBondContact O-N 3.16Å; V824-L827 PolarHBondContact O-N 3.46Å; L827-L831 WeakPolarHBondContact O-CB 2.9Å; L827-L831 PolarHBondContact O-N 3.3Å
828Q65.7Low67.5Low85 Ų8587.5 Ų87.540%0.39746%0.463SS..Hα-helixtrans-70.2-36.8173.1-77.9-177.8-85.700111.8V824 E825 Q826 L831 T832V824-Q828 HydrophobicContact CG1-CG 4.25Å; V824-Q828 WeakPolarHBondContact O-CB 3.34Å; V824-Q828 VanDerWaalsContact O-CG 3.29Å; V824-Q828 WeakPolarHBondContact O-CG 2.95Å; V824-Q828 PolarHBondContact O-N 2.81Å; E825-Q828 PolarHBondContact O-N 2.7Å; Q826-Q828 VanDerWaalsContact C-N 3.31Å; Q826-Q828 PolarHBondContact O-N 2.87Å; Q828-L831 PolarHBondContact O-N 3.48Å; Q828-T832 VanDerWaalsContact O-CB 3.31Å; Q828-T832 WeakPolarHBondContact O-CB 3.46Å; Q828-T832 PolarHBondContact O-N 2.83Å; Q828-T832 PolarHBondContact O-OG1 2.81Å
829N68.3Low67.4Low62 Ų6285 Ų8533%0.33246%0.457SS..Hα-helixtrans-65.8-45.4172.8-74.7-28.9000111.1E825 Q826 L831 T832 I833E825-N829 PolarHBondContact O-N 3.47Å; E825-N829 PolarHBondContact O-ND2 2.8Å; Q826-N829 PolarHBondContact O-N 3.37Å; N829-L831 PolarHBondContact O-N 3.39Å; N829-T832 PolarHBondContact O-N 3.19Å; N829-T832 VanDerWaalsContact O-N 3.13Å; N829-I833 WeakPolarHBondContact O-CG1 3.33Å; N829-I833 PolarHBondContact O-N 2.89Å
830E71.7Confident67.4Low101 Ų10184.1 Ų84.147%0.47245%0.452SS..Hα-helixtrans-61.6-41.7173.3-71.9-178.9-163.800112.4Q826 T832 I833 L834Q826-E830 PolarHBondContact O-N 2.76Å; E830-T832 VanDerWaalsContact C-N 3.27Å; E830-T832 PolarHBondContact O-N 2.78Å; E830-I833 PolarHBondContact O-N 3.12Å; E830-L834 WeakPolarHBondContact O-CB 3.23Å; E830-L834 PolarHBondContact O-N 2.69Å
831L64Low67Low85 Ų8587.3 Ų87.345%0.44546%0.463SS..Hα-helixtrans-65.8-29.2174.5-169.675000112.1L827 Q828 N829 K835L827-L831 WeakPolarHBondContact O-CB 2.9Å; L827-L831 PolarHBondContact O-N 3.3Å; Q828-L831 PolarHBondContact O-N 3.48Å; N829-L831 PolarHBondContact O-N 3.39Å; L831-K835 VanDerWaalsContact O-CB 3.3Å; L831-K835 WeakPolarHBondContact O-CB 3.45Å; L831-K835 WeakPolarHBondContact O-CG 3.47Å; L831-K835 PolarHBondContact O-N 3.35Å
832T65.4Low67.1Low89 Ų8989 Ų8955%0.54647%0.465SS..Hα-helixtrans-76.6-39.1177.6-58.50000111.1Q828 N829 E830 K835 S836Q828-T832 VanDerWaalsContact O-CB 3.31Å; Q828-T832 WeakPolarHBondContact O-CB 3.46Å; Q828-T832 PolarHBondContact O-N 2.83Å; Q828-T832 PolarHBondContact O-OG1 2.81Å; N829-T832 PolarHBondContact O-N 3.19Å; N829-T832 VanDerWaalsContact O-N 3.13Å; E830-T832 VanDerWaalsContact C-N 3.27Å; E830-T832 PolarHBondContact O-N 2.78Å; T832-K835 PolarHBondContact O-N 3.34Å; T832-S836 PolarHBondContact O-N 2.8Å
833I69.9Low67Low106 Ų10689.1 Ų89.154%0.54446%0.463SS..Hα-helixtrans-60.6-51.2168.8-65.4164.8000109.5N829 E830 K835 S836 D837N829-I833 WeakPolarHBondContact O-CG1 3.33Å; N829-I833 PolarHBondContact O-N 2.89Å; E830-I833 PolarHBondContact O-N 3.12Å; I833-K835 VanDerWaalsContact C-N 3.26Å; I833-K835 PolarHBondContact O-N 2.84Å; I833-S836 CarbonylContact O-C 3.54Å; I833-S836 WeakPolarHBondContact O-CA 3.36Å; I833-S836 WeakPolarHBondContact O-CB 3.3Å; I833-S836 PolarHBondContact O-N 2.82Å; I833-D837 PolarHBondContact O-N 3.18Å
834L66.8Low66.9Low65 Ų6590.4 Ų90.434%0.3447%0.469SS..Hα-helixtrans-64.5-26.3177.4-85.4153.2000114E830 L838E830-L834 WeakPolarHBondContact O-CB 3.23Å; E830-L834 PolarHBondContact O-N 2.69Å; L834-L838 WeakPolarHBondContact O-CB 3.19Å; L834-L838 PolarHBondContact O-N 3Å
835K65.5Low67.1Low132 Ų13290.3 Ų90.357%0.57447%0.468SS*.Hα-helixtrans-71.7-36.3167.6-87.2-176.4172.8-174.20112.1L831 T832 I833 D837 L838 V839L831-K835 VanDerWaalsContact O-CB 3.3Å; L831-K835 WeakPolarHBondContact O-CB 3.45Å; L831-K835 WeakPolarHBondContact O-CG 3.47Å; L831-K835 PolarHBondContact O-N 3.35Å; T832-K835 PolarHBondContact O-N 3.34Å; I833-K835 VanDerWaalsContact C-N 3.26Å; I833-K835 PolarHBondContact O-N 2.84Å; K835-D837 VanDerWaalsContact C-N 3.35Å; K835-L838 PolarHBondContact O-N 3.07Å; K835-V839 VanDerWaalsContact O-CB 3.23Å; K835-V839 WeakPolarHBondContact O-CB 3.36Å; K835-V839 WeakPolarHBondContact O-CG2 3.22Å; K835-V839 PolarHBondContact O-N 2.84Å
836S66.3Low67.3Low68 Ų6892 Ų9248%0.47648%0.478SS..Hα-helixtrans-62.6-43.4170.8-169.80000111T832 I833 V839 T840T832-S836 PolarHBondContact O-N 2.8Å; I833-S836 CarbonylContact O-C 3.54Å; I833-S836 WeakPolarHBondContact O-CA 3.36Å; I833-S836 WeakPolarHBondContact O-CB 3.3Å; I833-S836 PolarHBondContact O-N 2.82Å; S836-V839 PolarHBondContact O-N 2.93Å; S836-T840 WeakPolarHBondContact O-CB 3.48Å; S836-T840 WeakPolarHBondContact O-CG2 3.35Å; S836-T840 PolarHBondContact O-N 3.29Å; S836-T840 PolarHBondContact O-OG1 3.01Å
837D65.1Low67.4Low77 Ų7790.7 Ų90.741%0.41248%0.475SS..Hα-helixtrans-69.3-33.9177.8-59.9-16.4000112.2I833 K835 T840 R841I833-D837 PolarHBondContact O-N 3.18Å; K835-D837 VanDerWaalsContact C-N 3.35Å; D837-T840 WeakPolarHBondContact CA-OG1 3.23Å; D837-T840 PolarHBondContact O-OG1 2.9Å; D837-R841 VanDerWaalsContact O-CB 3.3Å; D837-R841 WeakPolarHBondContact O-CB 3.48Å; D837-R841 PolarHBondContact O-N 3.27Å
838L62.8Low67.8Low119 Ų11990 Ų9062%0.62347%0.472SS*.Hα-helixtrans-78.2-35175.8-159.780.2000112.1L834 K835 N842L834-L838 WeakPolarHBondContact O-CB 3.19Å; L834-L838 PolarHBondContact O-N 3Å; K835-L838 PolarHBondContact O-N 3.07Å; L838-N842 WeakPolarHBondContact O-CB 3.38Å; L838-N842 PolarHBondContact O-N 3.34Å
839V67.3Low68.1Low81 Ų8190.1 Ų90.149%0.49148%0.475SS..Hα-helixtrans-66-52172.5165.10000109.3K835 S836 R841 N842 D843K835-V839 VanDerWaalsContact O-CB 3.23Å; K835-V839 WeakPolarHBondContact O-CB 3.36Å; K835-V839 WeakPolarHBondContact O-CG2 3.22Å; K835-V839 PolarHBondContact O-N 2.84Å; S836-V839 PolarHBondContact O-N 2.93Å; V839-R841 VanDerWaalsContact C-N 3.29Å; V839-R841 PolarHBondContact O-N 2.92Å; V839-N842 CarbonylContact O-C 3.52Å; V839-N842 WeakPolarHBondContact O-CA 3.46Å; V839-N842 WeakPolarHBondContact O-CB 3.28Å; V839-N842 PolarHBondContact O-N 3.12Å; V839-D843 VanDerWaalsContact CG1-OD2 3.32Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.5Å; V839-D843 PolarHBondContact O-N 2.99Å
840T69.7Low68.5Low73 Ų7392.5 Ų92.545%0.44849%0.485SS..Hα-helixtrans-61.2-34.2175.550.50000113.1S836 D837 V844S836-T840 WeakPolarHBondContact O-CB 3.48Å; S836-T840 WeakPolarHBondContact O-CG2 3.35Å; S836-T840 PolarHBondContact O-N 3.29Å; S836-T840 PolarHBondContact O-OG1 3.01Å; D837-T840 WeakPolarHBondContact CA-OG1 3.23Å; D837-T840 PolarHBondContact O-OG1 2.9Å; T840-V844 WeakPolarHBondContact O-CB 3.21Å; T840-V844 VanDerWaalsContact O-CG2 3.31Å; T840-V844 WeakPolarHBondContact O-CG2 3.38Å; T840-V844 PolarHBondContact O-N 2.77Å
841R65.5Low68.5Low183 Ų18393.2 Ų93.269%0.69149%0.489SS*.Hα-helixtrans-66.5-38.1167.2-97.2-170.1165.3115.2-0.9113.5D837 V839 D843 V845D837-R841 VanDerWaalsContact O-CB 3.3Å; D837-R841 WeakPolarHBondContact O-CB 3.48Å; D837-R841 PolarHBondContact O-N 3.27Å; V839-R841 VanDerWaalsContact C-N 3.29Å; V839-R841 PolarHBondContact O-N 2.92Å; R841-D843 VanDerWaalsContact C-N 3.34Å; R841-V845 VanDerWaalsContact O-CB 3.3Å; R841-V845 WeakPolarHBondContact O-CB 3.38Å; R841-V845 WeakPolarHBondContact O-CG2 3.44Å; R841-V845 PolarHBondContact O-N 3.33Å
842N68.9Low68.9Low84 Ų8494.8 Ų94.845%0.44950%0.497SS..Hα-helixtrans-71.1-33.4178.2-165101.1000110.9L838 V839 V845 N846L838-N842 WeakPolarHBondContact O-CB 3.38Å; L838-N842 PolarHBondContact O-N 3.34Å; V839-N842 CarbonylContact O-C 3.52Å; V839-N842 WeakPolarHBondContact O-CA 3.46Å; V839-N842 WeakPolarHBondContact O-CB 3.28Å; V839-N842 PolarHBondContact O-N 3.12Å; N842-V845 CarbonylContact O-C 3.59Å; N842-V845 PolarHBondContact O-N 3.21Å; N842-N846 PolarHBondContact ND2-ND2 2.77Å; N842-N846 PolarHBondContact ND2-OD1 3.41Å; N842-N846 VanDerWaalsContact O-CB 3.28Å; N842-N846 WeakPolarHBondContact O-CB 3.07Å; N842-N846 PolarHBondContact O-N 3.48Å; N842-N846 PolarHBondContact O-ND2 3.46Å; N842-N846 PolarHBondContact O-OD1 3.47Å
843D68.4Low69.2Low73 Ų7397 Ų9739%0.3950%0.501SS..Hα-helixtrans-68.6-47.3173.6-60.8-27.1000109.3V839 R841 V845 N846 D847V839-D843 VanDerWaalsContact CG1-OD2 3.32Å; V839-D843 WeakPolarHBondContact CG1-OD2 3.5Å; V839-D843 PolarHBondContact O-N 2.99Å; R841-D843 VanDerWaalsContact C-N 3.34Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 2.71Å; D843-N846 CarbonylContact O-C 3.57Å; D843-N846 WeakPolarHBondContact O-CA 3.12Å; D843-N846 WeakPolarHBondContact O-CB 3.44Å; D843-N846 PolarHBondContact O-N 2.79Å; D843-D847 WeakPolarHBondContact O-CB 3.26Å; D843-D847 VanDerWaalsContact O-CG 3.29Å; D843-D847 PolarHBondContact O-N 2.76Å
844V72.2Confident69.5Low81 Ų8198.3 Ų98.349%0.49150%0.503SS..Hα-helixtrans-61.9-33.2171.5169.80000112.6T840 L848T840-V844 WeakPolarHBondContact O-CB 3.21Å; T840-V844 VanDerWaalsContact O-CG2 3.31Å; T840-V844 WeakPolarHBondContact O-CG2 3.38Å; T840-V844 PolarHBondContact O-N 2.77Å; V844-L848 HydrophobicContact CG1-CD1 4.03Å; V844-L848 VanDerWaalsContact O-CB 3.26Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CD1 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.47Å; V844-L848 PolarHBondContact O-N 3.38Å
845V67.2Low69.8Low70 Ų7099.5 Ų99.542%0.42451%0.505SS..Hα-helixtrans-75.1-31173.1165.20000111.7R841 N842 D843 N849R841-V845 VanDerWaalsContact O-CB 3.3Å; R841-V845 WeakPolarHBondContact O-CB 3.38Å; R841-V845 WeakPolarHBondContact O-CG2 3.44Å; R841-V845 PolarHBondContact O-N 3.33Å; N842-V845 CarbonylContact O-C 3.59Å; N842-V845 PolarHBondContact O-N 3.21Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 2.71Å; V845-N849 WeakPolarHBondContact O-CB 3.34Å; V845-N849 PolarHBondContact O-N 2.81Å; V845-N849 PolarHBondContact O-ND2 3.45Å
846N70.2Confident70.3Confident68 Ų6897.6 Ų97.636%0.36450%0.499SS..Hα-helixtrans-70.2-42.1171.6-73.2-19.6000110.4N842 D843 N849 M850N842-N846 PolarHBondContact ND2-ND2 2.77Å; N842-N846 PolarHBondContact ND2-OD1 3.41Å; N842-N846 VanDerWaalsContact O-CB 3.28Å; N842-N846 WeakPolarHBondContact O-CB 3.07Å; N842-N846 PolarHBondContact O-N 3.48Å; N842-N846 PolarHBondContact O-ND2 3.46Å; N842-N846 PolarHBondContact O-OD1 3.47Å; D843-N846 CarbonylContact O-C 3.57Å; D843-N846 WeakPolarHBondContact O-CA 3.12Å; D843-N846 WeakPolarHBondContact O-CB 3.44Å; D843-N846 PolarHBondContact O-N 2.79Å; N846-N849 CarbonylContact O-C 3.54Å; N846-N849 PolarHBondContact O-N 2.83Å; N846-M850 WeakPolarHBondContact O-CB 3.35Å; N846-M850 VanDerWaalsContact O-CG 3.3Å; N846-M850 WeakPolarHBondContact O-CG 3.29Å; N846-M850 PolarHBondContact O-N 3.45Å
847D70.5Confident70.6Confident92 Ų9298.4 Ų98.449%0.49250%0.498SS..Hα-helixtrans-63.5-45.9174.7-69.1-23.7000110.7D843 N849 M850 E851D843-D847 WeakPolarHBondContact O-CB 3.26Å; D843-D847 VanDerWaalsContact O-CG 3.29Å; D843-D847 PolarHBondContact O-N 2.76Å; D847-N849 VanDerWaalsContact C-N 3.32Å; D847-N849 PolarHBondContact O-N 2.88Å; D847-M850 PolarHBondContact O-N 2.72Å; D847-M850 WeakPolarHBondContact OD1-CE 3.48Å; D847-E851 WeakPolarHBondContact O-CB 3.34Å; D847-E851 PolarHBondContact O-N 3.35Å
848L73Confident71.1Confident97 Ų9798.4 Ų98.451%0.50850%0.495SS..Hα-helixtrans-65.8-32173-74.6169.2000112.6V844 L852V844-L848 HydrophobicContact CG1-CD1 4.03Å; V844-L848 VanDerWaalsContact O-CB 3.26Å; V844-L848 WeakPolarHBondContact O-CB 3.34Å; V844-L848 WeakPolarHBondContact O-CD1 3.34Å; V844-L848 WeakPolarHBondContact O-CG 3.47Å; V844-L848 PolarHBondContact O-N 3.38Å; L848-L852 WeakPolarHBondContact O-CB 3.41Å; L848-L852 PolarHBondContact O-N 2.85Å
849N71.1Confident71.6Confident87 Ų8796.2 Ų96.247%0.46548%0.483SS..Hα-helixtrans-74.1-37.4173.1-80.6-23.4000111.8V845 N846 D847 L852 E853V845-N849 WeakPolarHBondContact O-CB 3.34Å; V845-N849 PolarHBondContact O-N 2.81Å; V845-N849 PolarHBondContact O-ND2 3.45Å; N846-N849 CarbonylContact O-C 3.54Å; N846-N849 PolarHBondContact O-N 2.83Å; D847-N849 VanDerWaalsContact C-N 3.32Å; D847-N849 PolarHBondContact O-N 2.88Å; N849-L852 CarbonylContact O-C 3.6Å; N849-L852 PolarHBondContact O-N 3.43Å; N849-E853 WeakPolarHBondContact O-CB 3.22Å; N849-E853 PolarHBondContact O-N 3.16Å
850M76.7Confident72Confident111 Ų11195.3 Ų95.355%0.54748%0.475SS..Hα-helixtrans-68.5-36.8173.5-74.8-174.1-62.800110.8N846 D847 K854N846-M850 WeakPolarHBondContact O-CB 3.35Å; N846-M850 VanDerWaalsContact O-CG 3.3Å; N846-M850 WeakPolarHBondContact O-CG 3.29Å; N846-M850 PolarHBondContact O-N 3.45Å; D847-M850 PolarHBondContact O-N 2.72Å; D847-M850 WeakPolarHBondContact OD1-CE 3.48Å; M850-K854 WeakPolarHBondContact O-CB 3.2Å; M850-K854 PolarHBondContact O-N 3.23Å
851E73Confident72.3Confident116 Ų11696.4 Ų96.454%0.54248%0.479SS..Hα-helixtrans-70-40.3172-171168.3-134.200111.1D847 K855D847-E851 WeakPolarHBondContact O-CB 3.34Å; D847-E851 PolarHBondContact O-N 3.35Å; E851-K855 HydrophobicContact CG-CG 4.45Å; E851-K855 VanDerWaalsContact O-CB 3.26Å; E851-K855 WeakPolarHBondContact O-CB 3.48Å; E851-K855 WeakPolarHBondContact O-CG 3.33Å; E851-K855 PolarHBondContact O-N 2.81Å
852L72.4Confident72.8Confident119 Ų11993.2 Ų93.262%0.62348%0.475SS*.Hα-helixtrans-67.2-37.6174.1-170.2108.6000112.3L848 N849 K855 Q856L848-L852 WeakPolarHBondContact O-CB 3.41Å; L848-L852 PolarHBondContact O-N 2.85Å; N849-L852 CarbonylContact O-C 3.6Å; N849-L852 PolarHBondContact O-N 3.43Å; L852-K855 CarbonylContact O-C 3.5Å; L852-K855 PolarHBondContact O-N 3.46Å; L852-Q856 WeakPolarHBondContact O-CB 3.44Å; L852-Q856 PolarHBondContact O-N 2.92Å
853E70.6Confident73.1Confident135 Ų13594.1 Ų94.163%0.63148%0.476SS*.Hα-helixtrans-72.3-41.5177-171.8164.6-132.300110.3N849 K855 Q856 D857N849-E853 WeakPolarHBondContact O-CB 3.22Å; N849-E853 PolarHBondContact O-N 3.16Å; E853-K855 PolarHBondContact O-N 2.9Å; E853-Q856 CarbonylContact O-C 3.58Å; E853-Q856 WeakPolarHBondContact O-CB 3.3Å; E853-Q856 PolarHBondContact O-N 3.36Å; E853-D857 WeakPolarHBondContact O-CB 3.5Å; E853-D857 PolarHBondContact O-N 3.04Å
854K76.2Confident73.5Confident133 Ų13395.1 Ų95.158%0.57848%0.481SS*.Hα-helixtrans-60.8-40.8168.6-179179.6177.7-178.30112.1M850 D857 E858M850-K854 WeakPolarHBondContact O-CB 3.2Å; M850-K854 PolarHBondContact O-N 3.23Å; K854-D857 PolarHBondContact O-N 3.49Å; K854-E858 WeakPolarHBondContact O-CG 3.31Å; K854-E858 PolarHBondContact O-N 3.29Å
855K73.4Confident73.5Confident91 Ų9195 Ų9540%0.39648%0.481SS..Hα-helixtrans-71.2-33.6174.4-70.9-68.9167.9-138.20112E851 L852 E853 D857 E858 I859E851-K855 HydrophobicContact CG-CG 4.45Å; E851-K855 VanDerWaalsContact O-CB 3.26Å; E851-K855 WeakPolarHBondContact O-CB 3.48Å; E851-K855 WeakPolarHBondContact O-CG 3.33Å; E851-K855 PolarHBondContact O-N 2.81Å; L852-K855 CarbonylContact O-C 3.5Å; L852-K855 PolarHBondContact O-N 3.46Å; E853-K855 PolarHBondContact O-N 2.9Å; K855-D857 VanDerWaalsContact C-N 3.32Å; K855-E858 WeakPolarHBondContact CD-OE2 3.44Å; K855-E858 IonicContact NZ-OE1 3.88Å; K855-E858 PolarHBondContact NZ-OE1 3.31Å; K855-E858 IonicContact NZ-OE2 3.76Å; K855-E858 PolarHBondContact NZ-OE2 2.82Å; K855-E858 PolarHBondContact O-N 2.78Å; K855-I859 VanDerWaalsContact O-CB 3.27Å; K855-I859 WeakPolarHBondContact O-CB 3.49Å; K855-I859 WeakPolarHBondContact O-CD1 3.47Å; K855-I859 WeakPolarHBondContact O-CG1 3.39Å; K855-I859 PolarHBondContact O-N 3.22Å
856Q75.5Confident73.8Confident92 Ų9295.8 Ų95.843%0.4348%0.482SS..Hα-helixtrans-66.6-35.9171.4-175.458.558.800110.4L852 E853 I859 N860L852-Q856 WeakPolarHBondContact O-CB 3.44Å; L852-Q856 PolarHBondContact O-N 2.92Å; E853-Q856 CarbonylContact O-C 3.58Å; E853-Q856 WeakPolarHBondContact O-CB 3.3Å; E853-Q856 PolarHBondContact O-N 3.36Å; Q856-I859 CarbonylContact O-C 3.58Å; Q856-I859 WeakPolarHBondContact O-CB 3.48Å; Q856-I859 PolarHBondContact O-N 2.94Å; Q856-N860 PolarHBondContact NE2-OD1 2.83Å; Q856-N860 WeakPolarHBondContact O-CB 3.19Å; Q856-N860 PolarHBondContact O-N 2.91Å; Q856-N860 PolarHBondContact O-ND2 3.49Å; Q856-N860 VanDerWaalsContact O-ND2 3.17Å; Q856-N860 PolarHBondContact O-OD1 3.39Å
857D73.2Confident73.8Confident85 Ų8597.1 Ų97.146%0.45549%0.489SS..Hα-helixtrans-77.6-32.5174.8-92.1-7.6000113.7E853 K854 K855 I859 N860 N861E853-D857 WeakPolarHBondContact O-CB 3.5Å; E853-D857 PolarHBondContact O-N 3.04Å; K854-D857 PolarHBondContact O-N 3.49Å; K855-D857 VanDerWaalsContact C-N 3.32Å; D857-I859 VanDerWaalsContact C-N 3.31Å; D857-N860 PolarHBondContact O-N 3.23Å; D857-N860 PolarHBondContact OD1-ND2 3.46Å; D857-N861 VanDerWaalsContact O-CB 3.3Å; D857-N861 WeakPolarHBondContact O-CB 3.28Å; D857-N861 PolarHBondContact O-N 3.32Å; D857-N861 PolarHBondContact O-ND2 2.86Å
858E74.3Confident73.8Confident77 Ų7799.3 Ų99.336%0.3649%0.494SS..Hα-helixtrans-59.6-44.9163.4-74.8173.3-144.900109.9K854 K855 N861 L862K854-E858 WeakPolarHBondContact O-CG 3.31Å; K854-E858 PolarHBondContact O-N 3.29Å; K855-E858 WeakPolarHBondContact CD-OE2 3.44Å; K855-E858 IonicContact NZ-OE1 3.88Å; K855-E858 PolarHBondContact NZ-OE1 3.31Å; K855-E858 IonicContact NZ-OE2 3.76Å; K855-E858 PolarHBondContact NZ-OE2 2.82Å; K855-E858 PolarHBondContact O-N 2.78Å; E858-N861 PolarHBondContact O-N 2.95Å; E858-L862 WeakPolarHBondContact O-CB 3.24Å; E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.31Å; E858-L862 PolarHBondContact O-N 3.35Å
859I73.4Confident73.7Confident73 Ų73101.1 Ų101.137%0.37450%0.495SS..Hα-helixtrans-65.9-36.6174.9-73165.8000111.9K855 Q856 D857 L862 H863K855-I859 VanDerWaalsContact O-CB 3.27Å; K855-I859 WeakPolarHBondContact O-CB 3.49Å; K855-I859 WeakPolarHBondContact O-CD1 3.47Å; K855-I859 WeakPolarHBondContact O-CG1 3.39Å; K855-I859 PolarHBondContact O-N 3.22Å; Q856-I859 CarbonylContact O-C 3.58Å; Q856-I859 WeakPolarHBondContact O-CB 3.48Å; Q856-I859 PolarHBondContact O-N 2.94Å; D857-I859 VanDerWaalsContact C-N 3.31Å; I859-L862 PolarHBondContact O-N 3.28Å; I859-H863 WeakPolarHBondContact CG2-ND1 3.43Å; I859-H863 WeakPolarHBondContact O-CB 3.28Å; I859-H863 PolarHBondContact O-N 2.79Å; I859-H863 PolarHBondContact O-ND1 3.22Å
860N76.5Confident73.7Confident61 Ų61100.6 Ų100.633%0.32649%0.492SS..Hα-helixtrans-70.2-39.3176.9-66.3-26.3000110.4Q856 D857 H863 L864Q856-N860 PolarHBondContact NE2-OD1 2.83Å; Q856-N860 WeakPolarHBondContact O-CB 3.19Å; Q856-N860 PolarHBondContact O-N 2.91Å; Q856-N860 PolarHBondContact O-ND2 3.49Å; Q856-N860 VanDerWaalsContact O-ND2 3.17Å; Q856-N860 PolarHBondContact O-OD1 3.39Å; D857-N860 PolarHBondContact O-N 3.23Å; D857-N860 PolarHBondContact OD1-ND2 3.46Å; N860-H863 PolarHBondContact O-N 3.43Å; N860-L864 VanDerWaalsContact O-CB 3.32Å; N860-L864 WeakPolarHBondContact O-CB 3.46Å; N860-L864 WeakPolarHBondContact O-CG 3.45Å; N860-L864 PolarHBondContact O-N 3.04Å
861N76.5Confident73.5Confident96 Ų9698.8 Ų98.851%0.51349%0.49SS..Hα-helixtrans-70.2-36.4174.3-80.2-68.8000112D857 E858 L864 T865D857-N861 VanDerWaalsContact O-CB 3.3Å; D857-N861 WeakPolarHBondContact O-CB 3.28Å; D857-N861 PolarHBondContact O-N 3.32Å; D857-N861 PolarHBondContact O-ND2 2.86Å; E858-N861 PolarHBondContact O-N 2.95Å; N861-L864 PolarHBondContact O-N 3.35Å; N861-T865 VanDerWaalsContact O-CB 3.27Å; N861-T865 WeakPolarHBondContact O-CB 3.26Å; N861-T865 PolarHBondContact O-N 3.42Å; N861-T865 PolarHBondContact O-OG1 3.06Å
862L76.6Confident73.5Confident117 Ų11799.2 Ų99.261%0.61349%0.491SS*.Hα-helixtrans-66.6-42171.3-74.9169.4000111.3E858 I859 T865 L866E858-L862 WeakPolarHBondContact O-CB 3.24Å; E858-L862 VanDerWaalsContact O-CG 3.24Å; E858-L862 WeakPolarHBondContact O-CG 3.31Å; E858-L862 PolarHBondContact O-N 3.35Å; I859-L862 PolarHBondContact O-N 3.28Å; L862-T865 CarbonylContact O-C 3.52Å; L862-T865 PolarHBondContact O-N 3.22Å; L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 PolarHBondContact O-N 2.95Å
863H73.5Confident73.3Confident103 Ų10396.1 Ų96.148%0.47748%0.475SS..Hα-helixtrans-64-44.2171.6-79.6100.8000112I859 N860 T865 L866 D867I859-H863 WeakPolarHBondContact CG2-ND1 3.43Å; I859-H863 WeakPolarHBondContact O-CB 3.28Å; I859-H863 PolarHBondContact O-N 2.79Å; I859-H863 PolarHBondContact O-ND1 3.22Å; N860-H863 PolarHBondContact O-N 3.43Å; H863-T865 PolarHBondContact O-N 2.85Å; H863-L866 CarbonylContact O-C 3.6Å; H863-L866 PolarHBondContact O-N 2.61Å; H863-D867 WeakPolarHBondContact O-CB 3.36Å; H863-D867 PolarHBondContact O-N 2.88Å
864L77.2Confident73.3Confident93 Ų9394.1 Ų94.149%0.48747%0.465SS..Hα-helixtrans-63.5-27.9174.3-82165000112.8N860 N861 K868N860-L864 VanDerWaalsContact O-CB 3.32Å; N860-L864 WeakPolarHBondContact O-CB 3.46Å; N860-L864 WeakPolarHBondContact O-CG 3.45Å; N860-L864 PolarHBondContact O-N 3.04Å; N861-L864 PolarHBondContact O-N 3.35Å; L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.36Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3.01Å; L864-K868 VanDerWaalsContact O-N 3.16Å
865T72.4Confident72.8Confident80 Ų8091.9 Ų91.949%0.49146%0.463SS..Hα-helixtrans-79.9-39.3174.6-58.40000111N861 L862 H863 K868 Y869N861-T865 VanDerWaalsContact O-CB 3.27Å; N861-T865 WeakPolarHBondContact O-CB 3.26Å; N861-T865 PolarHBondContact O-N 3.42Å; N861-T865 PolarHBondContact O-OG1 3.06Å; L862-T865 CarbonylContact O-C 3.52Å; L862-T865 PolarHBondContact O-N 3.22Å; H863-T865 PolarHBondContact O-N 2.85Å; T865-K868 PolarHBondContact O-N 3.48Å; T865-Y869 VanDerWaalsContact O-CB 3.3Å; T865-Y869 WeakPolarHBondContact O-CB 3.04Å; T865-Y869 PolarHBondContact O-N 2.84Å
866L73.7Confident72.3Confident85 Ų8590.8 Ų90.845%0.44546%0.461SS..Hα-helixtrans-66.6-37.1173.5-176.259.6000111.6L862 H863 Y869 N870L862-L866 VanDerWaalsContact O-CB 3.25Å; L862-L866 WeakPolarHBondContact O-CB 3.32Å; L862-L866 PolarHBondContact O-N 2.95Å; H863-L866 CarbonylContact O-C 3.6Å; H863-L866 PolarHBondContact O-N 2.61Å; L866-Y869 HydrophobicContact CD1-CD1 4.4Å; L866-Y869 CarbonylContact O-C 3.54Å; L866-Y869 PolarHBondContact O-N 3.28Å; L866-N870 WeakPolarHBondContact O-CB 3.3Å; L866-N870 PolarHBondContact O-N 3.45Å; L866-N870 PolarHBondContact O-ND2 3.02Å
867D70.6Confident71.8Confident97 Ų9790.3 Ų90.352%0.51946%0.459SS..Hα-helixtrans-71.4-36174.1-79.8-17.1000111.9H863 S871H863-D867 WeakPolarHBondContact O-CB 3.36Å; H863-D867 PolarHBondContact O-N 2.88Å; D867-S871 WeakPolarHBondContact O-CB 3.41Å; D867-S871 PolarHBondContact O-N 3.39Å
868K70.8Confident71.6Confident138 Ų13890.8 Ų90.860%0.646%0.461SS*.Hα-helixtrans-64.4-43168.8-74.7163.4-165.4165.20111L864 T865 S871 F872L864-K868 WeakPolarHBondContact O-CB 3.31Å; L864-K868 WeakPolarHBondContact O-CD 3.36Å; L864-K868 WeakPolarHBondContact O-CG 3.49Å; L864-K868 PolarHBondContact O-N 3.01Å; L864-K868 VanDerWaalsContact O-N 3.16Å; T865-K868 PolarHBondContact O-N 3.48Å; K868-S871 PolarHBondContact O-N 2.95Å; K868-F872 VanDerWaalsContact O-CB 3.24Å; K868-F872 WeakPolarHBondContact O-CB 3.26Å; K868-F872 PolarHBondContact O-N 3.46Å
869Y70.5Confident71.1Confident135 Ų13593.6 Ų93.653%0.52947%0.472SS..Hα-helixtrans-67.4-41.2177.6-179-107.1000112.1T865 L866 F872 N873T865-Y869 VanDerWaalsContact O-CB 3.3Å; T865-Y869 WeakPolarHBondContact O-CB 3.04Å; T865-Y869 PolarHBondContact O-N 2.84Å; L866-Y869 HydrophobicContact CD1-CD1 4.4Å; L866-Y869 CarbonylContact O-C 3.54Å; L866-Y869 PolarHBondContact O-N 3.28Å; Y869-F872 PolarHBondContact O-N 2.83Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.32Å; Y869-N873 VanDerWaalsContact O-CB 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.35Å; Y869-N873 PolarHBondContact O-N 3.41Å; Y869-N873 PolarHBondContact OH-ND2 3.18Å
870N71.4Confident70.5Confident75 Ų7593.9 Ų93.940%0.40147%0.474SS..Hα-helixtrans-66.9-41174-72.4-20.8000111.1L866 N873 Q874L866-N870 WeakPolarHBondContact O-CB 3.3Å; L866-N870 PolarHBondContact O-N 3.45Å; L866-N870 PolarHBondContact O-ND2 3.02Å; N870-N873 PolarHBondContact O-N 3Å; N870-Q874 WeakPolarHBondContact O-CB 3.21Å; N870-Q874 PolarHBondContact O-N 3.02Å
871S71.1Confident69.8Low73 Ų7393.7 Ų93.751%0.5148%0.477SS..Hα-helixtrans-65.2-39.2174.1-177.20000112D867 K868 Q874 T875D867-S871 WeakPolarHBondContact O-CB 3.41Å; D867-S871 PolarHBondContact O-N 3.39Å; K868-S871 PolarHBondContact O-N 2.95Å; S871-Q874 PolarHBondContact O-N 3.26Å; S871-T875 VanDerWaalsContact O-CB 3.32Å; S871-T875 WeakPolarHBondContact O-CB 3.15Å; S871-T875 PolarHBondContact O-N 2.95Å; S871-T875 PolarHBondContact O-OG1 2.89Å
872F72.9Confident69.3Low126 Ų12693 Ų9355%0.55347%0.473SS*.Hα-helixtrans-65.7-47.3173-179-110.1000111.7K868 Y869 Q874 T875 I876K868-F872 VanDerWaalsContact O-CB 3.24Å; K868-F872 WeakPolarHBondContact O-CB 3.26Å; K868-F872 PolarHBondContact O-N 3.46Å; Y869-F872 PolarHBondContact O-N 2.83Å; F872-Q874 PolarHBondContact O-N 3.47Å; F872-T875 CarbonylContact O-C 3.53Å; F872-T875 WeakPolarHBondContact O-CA 3.41Å; F872-T875 WeakPolarHBondContact O-CB 3.34Å; F872-T875 PolarHBondContact O-N 3.19Å; F872-T875 VanDerWaalsContact O-N 3.13Å; F872-I876 HydrophobicContact CD1-CD1 3.88Å; F872-I876 HydrophobicContact CE1-CD1 3.4Å; F872-I876 HydrophobicContact CE2-CD1 4.19Å; F872-I876 HydrophobicContact CG-CD1 4.47Å; F872-I876 HydrophobicContact CZ-CD1 3.59Å; F872-I876 HydrophobicContact CZ-CG1 4.47Å; F872-I876 PolarHBondContact O-N 3.06Å
873N68Low68.6Low54 Ų5490.9 Ų90.929%0.28946%0.462SS..Hα-helixtrans-62.8-38.9174.4-81.2-7000112.1Y869 N870 T875 I876 H877Y869-N873 WeakPolarHBondContact CE1-ND2 3.32Å; Y869-N873 VanDerWaalsContact O-CB 3.29Å; Y869-N873 WeakPolarHBondContact O-CB 3.35Å; Y869-N873 PolarHBondContact O-N 3.41Å; Y869-N873 PolarHBondContact OH-ND2 3.18Å; N870-N873 PolarHBondContact O-N 3Å; N873-T875 VanDerWaalsContact C-N 3.31Å; N873-I876 PolarHBondContact O-N 3.09Å; N873-H877 WeakPolarHBondContact O-CB 3.31Å; N873-H877 PolarHBondContact O-N 3.33Å
874Q70.7Confident67.9Low92 Ų9290.4 Ų90.443%0.4346%0.46SS..Hα-helixtrans-68.1-34.2174.4-160.569.93.300110.8N870 S871 F872 N878N870-Q874 WeakPolarHBondContact O-CB 3.21Å; N870-Q874 PolarHBondContact O-N 3.02Å; S871-Q874 PolarHBondContact O-N 3.26Å; F872-Q874 PolarHBondContact O-N 3.47Å; Q874-N878 WeakPolarHBondContact O-CB 3.28Å; Q874-N878 PolarHBondContact O-N 3.04Å; Q874-N878 PolarHBondContact O-ND2 3.01Å
875T66.8Low67.3Low87 Ų8792.6 Ų92.653%0.53446%0.462SS..Hα-helixtrans-67.5-44.2173.4-59.70000111.2S871 F872 N873 N878 F879S871-T875 VanDerWaalsContact O-CB 3.32Å; S871-T875 WeakPolarHBondContact O-CB 3.15Å; S871-T875 PolarHBondContact O-N 2.95Å; S871-T875 PolarHBondContact O-OG1 2.89Å; F872-T875 CarbonylContact O-C 3.53Å; F872-T875 WeakPolarHBondContact O-CA 3.41Å; F872-T875 WeakPolarHBondContact O-CB 3.34Å; F872-T875 PolarHBondContact O-N 3.19Å; F872-T875 VanDerWaalsContact O-N 3.13Å; N873-T875 VanDerWaalsContact C-N 3.31Å; T875-N878 PolarHBondContact O-N 2.96Å; T875-F879 WeakPolarHBondContact O-CB 3.26Å; T875-F879 PolarHBondContact O-N 3.04Å
876I63.6Low67Low67 Ų6794.1 Ų94.134%0.34446%0.464SS..Hα-helixtrans-63.3-44.8172.8-74176.3000110.9F872 N873 N878 F879 I880F872-I876 HydrophobicContact CD1-CD1 3.88Å; F872-I876 HydrophobicContact CE1-CD1 3.4Å; F872-I876 HydrophobicContact CE2-CD1 4.19Å; F872-I876 HydrophobicContact CG-CD1 4.47Å; F872-I876 HydrophobicContact CZ-CD1 3.59Å; F872-I876 HydrophobicContact CZ-CG1 4.47Å; F872-I876 PolarHBondContact O-N 3.06Å; N873-I876 PolarHBondContact O-N 3.09Å; I876-N878 PolarHBondContact O-N 3.49Å; I876-F879 WeakPolarHBondContact O-CB 3.31Å; I876-F879 PolarHBondContact O-N 3.29Å; I876-F879 VanDerWaalsContact O-N 3.15Å; I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 WeakPolarHBondContact O-CB 3.25Å; I876-I880 WeakPolarHBondContact O-CG1 2.98Å; I876-I880 PolarHBondContact O-N 3.08Å
877H63.7Low66.5Low83 Ų8393.6 Ų93.638%0.38446%0.461SS..Hα-helixtrans-64.3-42.3179.3-16975.8000111.2N873 C881N873-H877 WeakPolarHBondContact O-CB 3.31Å; N873-H877 PolarHBondContact O-N 3.33Å; H877-C881 WeakPolarHBondContact O-CB 3.23Å; H877-C881 PolarHBondContact O-N 2.77Å; H877-C881 PolarHBondContact O-SG 3.01Å
878N68.5Low66.1Low95 Ų9589.6 Ų89.651%0.50844%0.439SS..Hα-helixtrans-62.2-40.4171.3-78.3-38.3000112.1Q874 T875 I876 N882Q874-N878 WeakPolarHBondContact O-CB 3.28Å; Q874-N878 PolarHBondContact O-N 3.04Å; Q874-N878 PolarHBondContact O-ND2 3.01Å; T875-N878 PolarHBondContact O-N 2.96Å; I876-N878 PolarHBondContact O-N 3.49Å; N878-N882 WeakPolarHBondContact O-CB 3.45Å; N878-N882 PolarHBondContact O-N 2.87Å
879F64.3Low66Low135 Ų13586.8 Ų86.859%0.59243%0.428SS*.Hα-helixtrans-64.8-53.2177.2-168.4-84000111.2T875 I876 C881 N882 D883T875-F879 WeakPolarHBondContact O-CB 3.26Å; T875-F879 PolarHBondContact O-N 3.04Å; I876-F879 WeakPolarHBondContact O-CB 3.31Å; I876-F879 PolarHBondContact O-N 3.29Å; I876-F879 VanDerWaalsContact O-N 3.15Å; F879-C881 PolarHBondContact O-N 2.72Å; F879-N882 PolarHBondContact O-N 2.67Å; F879-N882 VanDerWaalsContact O-N 3.17Å; F879-D883 WeakPolarHBondContact CE1-OD2 3.16Å; F879-D883 PolarHBondContact O-N 2.85Å
880I61.2Low65.8Low79 Ų7983.8 Ų83.841%0.40543%0.426SS..Hα-helixtrans-58-46.2176.8-67.9172.2000110.7I876 N882 D883 H884I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.24Å; I876-I880 WeakPolarHBondContact O-CB 3.25Å; I876-I880 WeakPolarHBondContact O-CG1 2.98Å; I876-I880 PolarHBondContact O-N 3.08Å; I880-N882 VanDerWaalsContact C-N 3.34Å; I880-N882 PolarHBondContact O-N 2.71Å; I880-D883 PolarHBondContact O-N 3.45Å; I880-H884 VanDerWaalsContact O-CB 3.26Å; I880-H884 WeakPolarHBondContact O-CB 3.42Å; I880-H884 PolarHBondContact O-CD2 2.72Å; I880-H884 VanDerWaalsContact O-CG 3.31Å; I880-H884 PolarHBondContact O-N 2.91Å
881C61.2Low65.5Low57 Ų5781.5 Ų81.539%0.38541%0.414SS..Hα-helixtrans-65.1-36.6178.2-72.50000112.3H877 F879 R885H877-C881 WeakPolarHBondContact O-CB 3.23Å; H877-C881 PolarHBondContact O-N 2.77Å; H877-C881 PolarHBondContact O-SG 3.01Å; F879-C881 PolarHBondContact O-N 2.72Å; C881-R885 WeakPolarHBondContact O-CB 3.34Å; C881-R885 PolarHBondContact O-N 3.07Å
882N67.6Low65.4Low81 Ų8178.7 Ų78.743%0.43339%0.393SS..Hα-helixtrans-72.8-38.9177.4-166.139000112.1N878 F879 I880 R885 Q886N878-N882 WeakPolarHBondContact O-CB 3.45Å; N878-N882 PolarHBondContact O-N 2.87Å; F879-N882 PolarHBondContact O-N 2.67Å; F879-N882 VanDerWaalsContact O-N 3.17Å; I880-N882 VanDerWaalsContact C-N 3.34Å; I880-N882 PolarHBondContact O-N 2.71Å; N882-R885 WeakPolarHBondContact O-CB 3.47Å; N882-R885 PolarHBondContact O-N 3.29Å; N882-Q886 WeakPolarHBondContact O-CG 3.3Å; N882-Q886 PolarHBondContact O-N 3.16Å
883D60.7Low65.3Low74 Ų7478.7 Ų78.740%0.39639%0.393SS..Hα-helixtrans-66.2-45.2172.9-93.39.1000111.5F879 I880 R885 Q886 L887F879-D883 WeakPolarHBondContact CE1-OD2 3.16Å; F879-D883 PolarHBondContact O-N 2.85Å; I880-D883 PolarHBondContact O-N 3.45Å; D883-R885 VanDerWaalsContact C-N 3.29Å; D883-R885 PolarHBondContact O-N 3.04Å; D883-Q886 PolarHBondContact O-N 3.33Å; D883-L887 VanDerWaalsContact O-CB 3.28Å; D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 PolarHBondContact O-N 3.46Å
884H58.8Low65.3Low92 Ų9278.4 Ų78.443%0.42639%0.391SS..Hα-helixtrans-56.3-45.1171.2-79.4-146.5000110.5I880 Q886 L887 Y888I880-H884 VanDerWaalsContact O-CB 3.26Å; I880-H884 WeakPolarHBondContact O-CB 3.42Å; I880-H884 PolarHBondContact O-CD2 2.72Å; I880-H884 VanDerWaalsContact O-CG 3.31Å; I880-H884 PolarHBondContact O-N 2.91Å; H884-Q886 PolarHBondContact O-N 2.97Å; H884-L887 PolarHBondContact O-N 2.7Å; H884-L887 VanDerWaalsContact O-N 3.16Å; H884-Y888 HydrophobicContact CB-CD2 4.44Å; H884-Y888 HydrophobicContact CB-CE2 4.37Å; H884-Y888 WeakPolarHBondContact O-CB 3.08Å; H884-Y888 WeakPolarHBondContact O-CD2 3.46Å; H884-Y888 PolarHBondContact O-N 3.22Å
885R65.5Low65.1Low139 Ų13975.1 Ų75.153%0.52538%0.378SS..Hα-helixtrans-62.1-39.8177-169.7-178.6-166.6-139.39.3112.7C881 N882 D883 Q889C881-R885 WeakPolarHBondContact O-CB 3.34Å; C881-R885 PolarHBondContact O-N 3.07Å; N882-R885 WeakPolarHBondContact O-CB 3.47Å; N882-R885 PolarHBondContact O-N 3.29Å; D883-R885 VanDerWaalsContact C-N 3.29Å; D883-R885 PolarHBondContact O-N 3.04Å; R885-Q889 WeakPolarHBondContact O-CB 3.05Å; R885-Q889 WeakPolarHBondContact O-CG 3.37Å; R885-Q889 PolarHBondContact O-N 2.73Å
886Q65.2Low65.3Low113 Ų11374.4 Ų74.453%0.52837%0.368SS..Hα-helixtrans-66.5-39.8172.3-74-1647400112.1N882 D883 H884 Q889 S890N882-Q886 WeakPolarHBondContact O-CG 3.3Å; N882-Q886 PolarHBondContact O-N 3.16Å; D883-Q886 PolarHBondContact O-N 3.33Å; H884-Q886 PolarHBondContact O-N 2.97Å; Q886-Q889 PolarHBondContact O-N 2.74Å; Q886-S890 WeakPolarHBondContact O-CB 3.46Å; Q886-S890 PolarHBondContact O-N 2.61Å; Q886-S890 PolarHBondContact O-OG 3.22Å
887L64.1Low65.6Low74 Ų7474.8 Ų74.839%0.38738%0.377SS..Hα-helixtrans-67.2-43.5179.7-161.9145.9000110.8D883 H884 S890 L891D883-L887 VanDerWaalsContact O-CB 3.28Å; D883-L887 WeakPolarHBondContact O-CB 3.48Å; D883-L887 PolarHBondContact O-N 3.46Å; H884-L887 PolarHBondContact O-N 2.7Å; H884-L887 VanDerWaalsContact O-N 3.16Å; L887-S890 WeakPolarHBondContact O-CB 3.45Å; L887-S890 PolarHBondContact O-N 3.37Å; L887-L891 HydrophobicContact CD2-CD1 3.73Å; L887-L891 HydrophobicContact CG-CD1 4.42Å; L887-L891 VanDerWaalsContact O-CD1 3.28Å; L887-L891 WeakPolarHBondContact O-CD1 3.03Å; L887-L891 PolarHBondContact O-N 2.81Å
888Y61.6Low65.7Low13 Ų1373.6 Ų73.65%0.05137%0.371CS..Hα-helixtrans-61.3-47.6169.9-77.5-61.9000113.1H884 S890 L891 I892 F956 S964 L965H884-Y888 HydrophobicContact CB-CD2 4.44Å; H884-Y888 HydrophobicContact CB-CE2 4.37Å; H884-Y888 WeakPolarHBondContact O-CB 3.08Å; H884-Y888 WeakPolarHBondContact O-CD2 3.46Å; H884-Y888 PolarHBondContact O-N 3.22Å; Y888-S890 PolarHBondContact O-N 2.8Å; Y888-L891 PolarHBondContact O-N 2.78Å; Y888-I892 WeakPolarHBondContact O-CB 3.49Å; Y888-I892 VanDerWaalsContact O-CG1 3.31Å; Y888-I892 WeakPolarHBondContact O-CG1 3.13Å; Y888-I892 PolarHBondContact O-N 2.64Å; Y888-F956 HydrophobicContact CD2-CE2 4.24Å; Y888-F956 AromaticContact CD2-CZ 3.55Å; Y888-F956 HydrophobicContact CD2-CZ 3.55Å; Y888-F956 AromaticContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CG-CZ 4.29Å; Y888-S964 VanDerWaalsContact OH-C 3.23Å; Y888-S964 WeakPolarHBondContact OH-CB 3.49Å; Y888-S964 PolarHBondContact OH-OG 3.05Å; Y888-L965 HydrophobicContact CE1-CG 4.21Å; Y888-L965 WeakPolarHBondContact OH-CA 3.33Å; Y888-L965 WeakPolarHBondContact OH-CB 3.49Å; Y888-L965 WeakPolarHBondContact OH-CG 3.28Å; Y888-L965 PolarHBondContact OH-N 3.45Å
889Q68.2Low65.7Low79 Ų7970.3 Ų70.337%0.36935%0.353SS..Hα-helixtrans-59.9-35.2175.9-78.1-168.221.700111.9R885 Q886 K893R885-Q889 WeakPolarHBondContact O-CB 3.05Å; R885-Q889 WeakPolarHBondContact O-CG 3.37Å; R885-Q889 PolarHBondContact O-N 2.73Å; Q886-Q889 PolarHBondContact O-N 2.74Å; Q889-K893 WeakPolarHBondContact O-CB 3.37Å; Q889-K893 VanDerWaalsContact O-CG 3.24Å; Q889-K893 WeakPolarHBondContact O-CG 3.34Å; Q889-K893 PolarHBondContact O-N 3.37Å
890S66.3Low66Low71 Ų7167.8 Ų67.850%0.49735%0.349SS..Hα-helixtrans-70-44.2176.9-59.40000111.8Q886 L887 Y888 K893 L894Q886-S890 WeakPolarHBondContact O-CB 3.46Å; Q886-S890 PolarHBondContact O-N 2.61Å; Q886-S890 PolarHBondContact O-OG 3.22Å; L887-S890 WeakPolarHBondContact O-CB 3.45Å; L887-S890 PolarHBondContact O-N 3.37Å; Y888-S890 PolarHBondContact O-N 2.8Å; S890-K893 PolarHBondContact O-N 2.96Å; S890-L894 VanDerWaalsContact O-CB 3.31Å; S890-L894 WeakPolarHBondContact O-CB 3.47Å; S890-L894 PolarHBondContact O-N 2.85Å
891L65.3Low66.4Low28 Ų2868.7 Ų68.715%0.14735%0.347CS..Hα-helixtrans-60.4-46.7172.6-98.581.6000112L887 Y888 K893 L894 C895 F968 F1009L887-L891 HydrophobicContact CD2-CD1 3.73Å; L887-L891 HydrophobicContact CG-CD1 4.42Å; L887-L891 VanDerWaalsContact O-CD1 3.28Å; L887-L891 WeakPolarHBondContact O-CD1 3.03Å; L887-L891 PolarHBondContact O-N 2.81Å; Y888-L891 PolarHBondContact O-N 2.78Å; L891-K893 PolarHBondContact O-N 2.7Å; L891-L894 PolarHBondContact O-N 3.2Å; L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.28Å; L891-C895 PolarHBondContact O-SG 3.38Å; L891-F968 HydrophobicContact CD2-CD1 4.24Å; L891-F968 HydrophobicContact CD2-CE1 3.62Å; L891-F968 HydrophobicContact CD2-CZ 4.35Å; L891-F1009 HydrophobicContact CD2-CE1 4.05Å; L891-F1009 HydrophobicContact CD2-CZ 3.71Å; L891-F1009 HydrophobicContact CG-CE1 4.28Å; L891-F1009 HydrophobicContact CG-CZ 3.75Å
892I68.9Low66.5Low13 Ų1368.9 Ų68.97%0.06734%0.344CS..Hα-helixtrans-63.5-43.6180-69.2171.5000110.4Y888 L894 C895 Q896 F945 K949 F953Y888-I892 WeakPolarHBondContact O-CB 3.49Å; Y888-I892 VanDerWaalsContact O-CG1 3.31Å; Y888-I892 WeakPolarHBondContact O-CG1 3.13Å; Y888-I892 PolarHBondContact O-N 2.64Å; I892-L894 PolarHBondContact O-N 2.86Å; I892-C895 PolarHBondContact O-N 3.17Å; I892-Q896 HydrophobicContact CG2-CG 4.44Å; I892-Q896 WeakPolarHBondContact O-CB 3.17Å; I892-Q896 WeakPolarHBondContact O-CG 3.3Å; I892-Q896 PolarHBondContact O-N 3.14Å; I892-F945 HydrophobicContact CG2-CZ 4.39Å; I892-K949 HydrophobicContact CG2-CD 4.07Å; I892-K949 HydrophobicContact CG2-CG 4.48Å; I892-F953 HydrophobicContact CD1-CD2 4.37Å; I892-F953 HydrophobicContact CD1-CE2 3.8Å
893K70.7Confident66.6Low126 Ų12667.7 Ų67.755%0.54834%0.337SS..Hα-helixtrans-61.4-40.7173.2-77.7170.6-178.6168.70112.5Q889 S890 L891 S897Q889-K893 WeakPolarHBondContact O-CB 3.37Å; Q889-K893 VanDerWaalsContact O-CG 3.24Å; Q889-K893 WeakPolarHBondContact O-CG 3.34Å; Q889-K893 PolarHBondContact O-N 3.37Å; S890-K893 PolarHBondContact O-N 2.96Å; L891-K893 PolarHBondContact O-N 2.7Å; K893-S897 VanDerWaalsContact O-CB 3.29Å; K893-S897 WeakPolarHBondContact O-CB 3.39Å; K893-S897 PolarHBondContact O-N 2.68Å; K893-S897 PolarHBondContact O-OG 3.04Å
894L68.6Low67.1Low49 Ų4967.4 Ų67.426%0.25734%0.338SS..Hα-helixtrans-66.7-41.9178.6-176.658.5000111.6S890 L891 I892 K898 F1009S890-L894 VanDerWaalsContact O-CB 3.31Å; S890-L894 WeakPolarHBondContact O-CB 3.47Å; S890-L894 PolarHBondContact O-N 2.85Å; L891-L894 PolarHBondContact O-N 3.2Å; I892-L894 PolarHBondContact O-N 2.86Å; L894-K898 WeakPolarHBondContact O-CG 3.21Å; L894-K898 PolarHBondContact O-N 2.95Å; L894-K898 VanDerWaalsContact O-N 3.09Å; L894-F1009 HydrophobicContact CD2-CD2 3.61Å; L894-F1009 HydrophobicContact CD2-CE2 3.75Å; L894-F1009 HydrophobicContact CG-CE2 4.45Å
895C65.5Low67.4Low23 Ų2364.7 Ų64.716%0.15533%0.325CS..Hα-helixtrans-67.8-46.9176-62.30000111.5L891 I892 S897 K898 I899 F945L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.28Å; L891-C895 PolarHBondContact O-SG 3.38Å; I892-C895 PolarHBondContact O-N 3.17Å; C895-S897 VanDerWaalsContact C-N 3.34Å; C895-S897 PolarHBondContact O-N 3.02Å; C895-K898 PolarHBondContact O-N 3.03Å; C895-I899 WeakPolarHBondContact O-CG1 3.44Å; C895-I899 PolarHBondContact O-N 3.21Å; C895-F945 HydrophobicContact CB-CD2 4.27Å; C895-F945 HydrophobicContact CB-CE2 3.39Å; C895-F945 HydrophobicContact CB-CZ 3.66Å
896Q72.3Confident67.3Low71 Ų7158.9 Ų58.933%0.33230%0.304SS..Hα-helixtrans-59.4-42.7175.7-74.6-166.1-94.700112.1I892 K898 T900 F945I892-Q896 HydrophobicContact CG2-CG 4.44Å; I892-Q896 WeakPolarHBondContact O-CB 3.17Å; I892-Q896 WeakPolarHBondContact O-CG 3.3Å; I892-Q896 PolarHBondContact O-N 3.14Å; Q896-K898 PolarHBondContact O-N 3.37Å; Q896-T900 VanDerWaalsContact O-CB 3.3Å; Q896-T900 WeakPolarHBondContact O-CB 3.45Å; Q896-T900 PolarHBondContact O-N 3.29Å; Q896-T900 PolarHBondContact O-OG1 2.92Å; Q896-F945 HydrophobicContact CG-CE1 3.56Å; Q896-F945 HydrophobicContact CG-CZ 3.97Å
897S69.8Low67.5Low76 Ų7658.1 Ų58.153%0.53130%0.304SS..Hα-helixtrans-61.2-42.1176.1-61.30000112K893 C895 W901K893-S897 VanDerWaalsContact O-CB 3.29Å; K893-S897 WeakPolarHBondContact O-CB 3.39Å; K893-S897 PolarHBondContact O-N 2.68Å; K893-S897 PolarHBondContact O-OG 3.04Å; C895-S897 VanDerWaalsContact C-N 3.34Å; C895-S897 PolarHBondContact O-N 3.02Å; S897-W901 WeakPolarHBondContact O-CB 3.28Å; S897-W901 PolarHBondContact O-N 2.91Å
898K66.1Low67.6Low58 Ų5859.1 Ų59.125%0.25231%0.307SS..Hα-helixtrans-69.9-44.1178.8-73.6179.7-178.3-172.80113L894 C895 Q896 T900 W901 I902 C1005L894-K898 WeakPolarHBondContact O-CG 3.21Å; L894-K898 PolarHBondContact O-N 2.95Å; L894-K898 VanDerWaalsContact O-N 3.09Å; C895-K898 PolarHBondContact O-N 3.03Å; Q896-K898 PolarHBondContact O-N 3.37Å; K898-T900 VanDerWaalsContact C-N 3.3Å; K898-T900 PolarHBondContact O-N 2.9Å; K898-W901 PolarHBondContact O-N 2.95Å; K898-I902 WeakPolarHBondContact O-CG1 3.3Å; K898-I902 PolarHBondContact O-N 3.43Å; K898-C1005 VanDerWaalsContact CE-SG 3.53Å; K898-C1005 PolarHBondContact NZ-SG 3.43Å
899I67.7Low67.6Low26 Ų2659.6 Ų59.613%0.13331%0.312CS..Hα-helixtrans-60.5-43.5174.7-66.2167.3000110.1C895 W901 I902 L903 N942 F945C895-I899 WeakPolarHBondContact O-CG1 3.44Å; C895-I899 PolarHBondContact O-N 3.21Å; I899-W901 VanDerWaalsContact C-N 3.35Å; I899-W901 PolarHBondContact O-N 3.44Å; I899-I902 PolarHBondContact O-N 2.7Å; I899-L903 HydrophobicContact CG2-CD1 4.04Å; I899-L903 WeakPolarHBondContact O-CG 2.86Å; I899-L903 PolarHBondContact O-N 3.43Å; I899-N942 HydrophobicContact CG2-CB 4.1Å; I899-F945 HydrophobicContact CD1-CB 3.84Å; I899-F945 HydrophobicContact CD1-CD1 3.73Å; I899-F945 HydrophobicContact CD1-CD2 4.03Å; I899-F945 HydrophobicContact CD1-CE1 4.35Å; I899-F945 HydrophobicContact CD1-CG 3.55Å
900T71.9Confident67.4Low82 Ų8258.2 Ų58.250%0.50331%0.305SS..Hα-helixtrans-61.9-41175.6-53.80000111.8Q896 K898 L903 T904Q896-T900 VanDerWaalsContact O-CB 3.3Å; Q896-T900 WeakPolarHBondContact O-CB 3.45Å; Q896-T900 PolarHBondContact O-N 3.29Å; Q896-T900 PolarHBondContact O-OG1 2.92Å; K898-T900 VanDerWaalsContact C-N 3.3Å; K898-T900 PolarHBondContact O-N 2.9Å; T900-L903 PolarHBondContact O-N 3.13Å; T900-T904 WeakPolarHBondContact O-CB 3.45Å; T900-T904 PolarHBondContact O-N 2.89Å; T900-T904 PolarHBondContact O-OG1 3.26Å
901W69.7Low67.3Low98 Ų9860.9 Ų60.937%0.37131%0.309SS..Hα-helixtrans-65.8-44177.3-176.987.5000112.4S897 K898 I899 L903 T904 E905 L1001S897-W901 WeakPolarHBondContact O-CB 3.28Å; S897-W901 PolarHBondContact O-N 2.91Å; K898-W901 PolarHBondContact O-N 2.95Å; I899-W901 VanDerWaalsContact C-N 3.35Å; I899-W901 PolarHBondContact O-N 3.44Å; W901-L903 PolarHBondContact O-N 2.92Å; W901-T904 WeakPolarHBondContact O-CA 3.41Å; W901-T904 WeakPolarHBondContact O-CB 3.47Å; W901-T904 PolarHBondContact O-N 3.43Å; W901-E905 HydrophobicContact CD2-CG 3.98Å; W901-E905 HydrophobicContact CE3-CG 4.27Å; W901-E905 HydrophobicContact CH2-CG 3.82Å; W901-E905 HydrophobicContact CZ2-CG 3.5Å; W901-E905 WeakPolarHBondContact CZ2-OE1 3.2Å; W901-E905 HydrophobicContact CZ3-CG 4.17Å; W901-E905 PolarHBondContact O-N 3.03Å; W901-L1001 HydrophobicContact CE3-CD1 4.34Å; W901-L1001 HydrophobicContact CE3-CD2 3.91Å; W901-L1001 HydrophobicContact CH2-CD1 3.59Å; W901-L1001 HydrophobicContact CH2-CD2 3.9Å; W901-L1001 HydrophobicContact CH2-CG 4.3Å; W901-L1001 HydrophobicContact CZ2-CD1 3.96Å; W901-L1001 HydrophobicContact CZ3-CD1 3.82Å; W901-L1001 HydrophobicContact CZ3-CD2 3.33Å; W901-L1001 HydrophobicContact CZ3-CG 4.18Å
902I63.3Low67.2Low61 Ų6164.5 Ų64.531%0.31333%0.329SS..Hα-helixtrans-58.2-49.3174.9-67.7166.5000110K898 I899 T904 E905 M906K898-I902 WeakPolarHBondContact O-CG1 3.3Å; K898-I902 PolarHBondContact O-N 3.43Å; I899-I902 PolarHBondContact O-N 2.7Å; I902-T904 PolarHBondContact O-N 2.71Å; I902-E905 PolarHBondContact O-N 3.27Å; I902-M906 HydrophobicContact CG2-SD 4.18Å; I902-M906 WeakPolarHBondContact O-CB 3.38Å; I902-M906 VanDerWaalsContact O-CG 3.3Å; I902-M906 WeakPolarHBondContact O-CG 3.34Å; I902-M906 PolarHBondContact O-N 3.08Å
903L68.5Low66.7Low56 Ų5667.7 Ų67.729%0.29335%0.346SS..Hα-helixtrans-61.3-29.1175.7-69.3169.9000112.6I899 T900 W901 N907 A938I899-L903 HydrophobicContact CG2-CD1 4.04Å; I899-L903 WeakPolarHBondContact O-CG 2.86Å; I899-L903 PolarHBondContact O-N 3.43Å; T900-L903 PolarHBondContact O-N 3.13Å; W901-L903 PolarHBondContact O-N 2.92Å; L903-N907 WeakPolarHBondContact O-CB 3.19Å; L903-N907 PolarHBondContact O-N 3.2Å; L903-N907 PolarHBondContact O-ND2 2.72Å; L903-A938 HydrophobicContact CD2-CB 4.33Å
904T72.5Confident66.2Low68 Ų6867.7 Ų67.742%0.41735%0.352SS..Hα-helixtrans-77.3-48179.1-570000112T900 W901 I902 M906 N907 Q908T900-T904 WeakPolarHBondContact O-CB 3.45Å; T900-T904 PolarHBondContact O-N 2.89Å; T900-T904 PolarHBondContact O-OG1 3.26Å; W901-T904 WeakPolarHBondContact O-CA 3.41Å; W901-T904 WeakPolarHBondContact O-CB 3.47Å; W901-T904 PolarHBondContact O-N 3.43Å; I902-T904 PolarHBondContact O-N 2.71Å; T904-M906 VanDerWaalsContact C-N 3.31Å; T904-M906 PolarHBondContact O-N 2.96Å; T904-N907 PolarHBondContact O-N 3.25Å; T904-N907 VanDerWaalsContact O-N 3.13Å; T904-Q908 PolarHBondContact O-N 2.98Å
905E64.5Low65.7Low34 Ų3471.4 Ų71.416%0.15937%0.372CS..Hα-helixtrans-68.4-30.7176.7-69.5-89.217600111.8W901 I902 S909 R997W901-E905 HydrophobicContact CD2-CG 3.98Å; W901-E905 HydrophobicContact CE3-CG 4.27Å; W901-E905 HydrophobicContact CH2-CG 3.82Å; W901-E905 HydrophobicContact CZ2-CG 3.5Å; W901-E905 WeakPolarHBondContact CZ2-OE1 3.2Å; W901-E905 HydrophobicContact CZ3-CG 4.17Å; W901-E905 PolarHBondContact O-N 3.03Å; I902-E905 PolarHBondContact O-N 3.27Å; E905-S909 WeakPolarHBondContact O-CB 3.42Å; E905-S909 PolarHBondContact O-N 3.48Å; E905-S909 PolarHBondContact O-OG 2.87Å; E905-R997 VanDerWaalsContact CD-NH2 3.28Å; E905-R997 IonicContact OE1-CZ 2.7Å; E905-R997 IonicContact OE1-NH1 3.92Å; E905-R997 IonicContact OE1-NH2 3.77Å; E905-R997 PolarHBondContact OE1-NH2 2.95Å; E905-R997 IonicContact OE2-CZ 2.96Å; E905-R997 IonicContact OE2-NH1 2.66Å; E905-R997 PolarHBondContact OE2-NH1 3.41Å; E905-R997 IonicContact OE2-NH2 3.62Å; E905-R997 PolarHBondContact OE2-NH2 3Å
906M63.5Low64.9Low17 Ų1774.6 Ų74.68%0.08439%0.39CS..Hα-helixtrans-59.9-55.3164.5-76.4-177.768.800110.5I902 T904 Q908 S909 K910 Y931 I934 E935 A938I902-M906 HydrophobicContact CG2-SD 4.18Å; I902-M906 WeakPolarHBondContact O-CB 3.38Å; I902-M906 VanDerWaalsContact O-CG 3.3Å; I902-M906 WeakPolarHBondContact O-CG 3.34Å; I902-M906 PolarHBondContact O-N 3.08Å; T904-M906 VanDerWaalsContact C-N 3.31Å; T904-M906 PolarHBondContact O-N 2.96Å; M906-Q908 PolarHBondContact O-N 3.25Å; M906-S909 CarbonylContact O-C 3.16Å; M906-S909 WeakPolarHBondContact O-CA 3.32Å; M906-S909 WeakPolarHBondContact O-CB 3.44Å; M906-S909 PolarHBondContact O-N 2.61Å; M906-K910 PolarHBondContact O-N 2.79Å; M906-Y931 PolarHBondContact O-OH 2.92Å; M906-I934 HydrophobicContact CE-CB 4.26Å; M906-I934 HydrophobicContact CE-CG2 3.6Å; M906-I934 HydrophobicContact SD-CG2 4.05Å; M906-E935 HydrophobicContact CE-CB 4.24Å; M906-A938 HydrophobicContact CE-CB 4.37Å; M906-A938 HydrophobicContact SD-CB 3.98Å
907N68.3Low63.5Low97 Ų9779.4 Ų79.452%0.51942%0.418SS..Hα-helixtrans-58.5-34.3179.2-84.2-69.3000113.3L903 T904 K910 Q911L903-N907 WeakPolarHBondContact O-CB 3.19Å; L903-N907 PolarHBondContact O-N 3.2Å; L903-N907 PolarHBondContact O-ND2 2.72Å; T904-N907 PolarHBondContact O-N 3.25Å; T904-N907 VanDerWaalsContact O-N 3.13Å; N907-K910 PolarHBondContact O-N 3.22Å; N907-Q911 WeakPolarHBondContact O-CG 3.46Å; N907-Q911 PolarHBondContact O-N 3.38Å
908Q66.8Low62.4Low96 Ų9682.7 Ų82.745%0.44943%0.429SS..Hα-helixtrans-69-40.3171.2-73.3-178.7-66.300112.7T904 M906 K910 Q911 N912T904-Q908 PolarHBondContact O-N 2.98Å; M906-Q908 PolarHBondContact O-N 3.25Å; Q908-K910 VanDerWaalsContact C-N 3.31Å; Q908-K910 PolarHBondContact O-N 3.18Å; Q908-Q911 PolarHBondContact O-N 2.72Å; Q908-N912 PolarHBondContact O-N 3.31Å; Q908-N912 PolarHBondContact O-ND2 2.92Å
909S61.7Low61.1Low22 Ų2288.1 Ų88.115%0.15446%0.455CS..Hα-helixtrans-62.8-38173.9-58.80000111.8E905 M906 N912 L913E905-S909 WeakPolarHBondContact O-CB 3.42Å; E905-S909 PolarHBondContact O-N 3.48Å; E905-S909 PolarHBondContact O-OG 2.87Å; M906-S909 CarbonylContact O-C 3.16Å; M906-S909 WeakPolarHBondContact O-CA 3.32Å; M906-S909 WeakPolarHBondContact O-CB 3.44Å; M906-S909 PolarHBondContact O-N 2.61Å; S909-N912 PolarHBondContact O-N 3.1Å; S909-L913 PolarHBondContact O-N 2.95Å
910K62.9Low59.9Low51 Ų5193.3 Ų93.322%0.22248%0.483CS..Hα-helixtrans-65.1-39.3173.9-152.4172-166.2173.30112M906 N907 Q908 N914 Y931 E935M906-K910 PolarHBondContact O-N 2.79Å; N907-K910 PolarHBondContact O-N 3.22Å; Q908-K910 VanDerWaalsContact C-N 3.31Å; Q908-K910 PolarHBondContact O-N 3.18Å; K910-N914 VanDerWaalsContact O-CG 3.3Å; K910-N914 PolarHBondContact O-N 2.78Å; K910-Y931 HydrophobicContact CB-CE1 4.02Å; K910-Y931 HydrophobicContact CD-CD1 4.31Å; K910-Y931 HydrophobicContact CD-CE1 3.72Å; K910-Y931 HydrophobicContact CG-CD1 4.41Å; K910-Y931 HydrophobicContact CG-CE1 3.78Å; K910-Y931 PolarHBondContact N-OH 3.4Å; K910-E935 IonicContact NZ-OE2 3.27Å; K910-E935 PolarHBondContact NZ-OE2 3.39Å
911Q66Low58.5Low126 Ų12695.5 Ų95.559%0.58949%0.492SS*.Hα-helixtrans-68.7-37.3172.4-74.8-173.21.700112.7N907 Q908 N914 N915N907-Q911 WeakPolarHBondContact O-CG 3.46Å; N907-Q911 PolarHBondContact O-N 3.38Å; Q908-Q911 PolarHBondContact O-N 2.72Å; Q911-N914 PolarHBondContact O-N 3.27Å; Q911-N915 PolarHBondContact O-N 3.25Å; Q911-N915 PolarHBondContact O-ND2 3.06Å
912N62.6Low57.7Low105 Ų10597.7 Ų97.756%0.56151%0.51SS*.Hα-helixtrans-65.4-44.5177.4-69.8-23.1000111.7Q908 S909 N914 N915Q908-N912 PolarHBondContact O-N 3.31Å; Q908-N912 PolarHBondContact O-ND2 2.92Å; S909-N912 PolarHBondContact O-N 3.1Å; N912-N914 VanDerWaalsContact C-N 3.33Å; N912-N914 PolarHBondContact O-N 3Å; N912-N915 PolarHBondContact O-N 2.74Å; N912-N915 VanDerWaalsContact O-N 3.09Å
913L58.1Low57.4Low80 Ų80100.3 Ų100.342%0.41953%0.525SS..Hα-helixtrans-56.7-45172.8-86.1159.5000112.2S909 N915 T916 Y931S909-L913 PolarHBondContact O-N 2.95Å; L913-N915 PolarHBondContact O-N 2.72Å; L913-N915 VanDerWaalsContact O-N 3.15Å; L913-T916 PolarHBondContact O-N 2.78Å; L913-T916 PolarHBondContact O-OG1 2.88Å; L913-Y931 HydrophobicContact CD1-CD2 3.68Å; L913-Y931 HydrophobicContact CD1-CE2 3.7Å
914N60.4Low56.7Low126 Ų126105.4 Ų105.467%0.67455%0.548SS*.THydrogen-bonded Turntrans-68.4-6.7177.7-73.3-10.4000114.6K910 Q911 N912K910-N914 VanDerWaalsContact O-CG 3.3Å; K910-N914 PolarHBondContact O-N 2.78Å; Q911-N914 PolarHBondContact O-N 3.27Å; N912-N914 VanDerWaalsContact C-N 3.33Å; N912-N914 PolarHBondContact O-N 3Å
915N58.4Low56.4Low127 Ų127108 Ų10868%0.67956%0.555SS**THydrogen-bonded Turntrans-109.5-1.9-176.8-75.1-29.7000113.8Q911 N912 L913Q911-N915 PolarHBondContact O-N 3.25Å; Q911-N915 PolarHBondContact O-ND2 3.06Å; N912-N915 PolarHBondContact O-N 2.74Å; N912-N915 VanDerWaalsContact O-N 3.09Å; L913-N915 PolarHBondContact O-N 2.72Å; L913-N915 VanDerWaalsContact O-N 3.15Å
916T48Very low56.4Low89 Ų89111.1 Ų111.155%0.54657%0.573SS.*  trans-101.591.7-179.834.90000112.9L913 I918L913-T916 PolarHBondContact O-N 2.78Å; L913-T916 PolarHBondContact O-OG1 2.88Å; T916-I918 PolarHBondContact O-N 2.88Å
917D43.3Very low56.3Low172 Ų172114.5 Ų114.592%0.9259%0.591SS**  trans-66.387.4164.5-73.1-40.5000110.5
918I46.1Very low56.3Low146 Ų146116.1 Ų116.175%0.74959%0.59SS**  trans-133.1119.7171.9-58.2-176.5000110.5T916T916-I918 PolarHBondContact O-N 2.88Å
919E39.3Very low56.5Low172 Ų172115.4 Ų115.480%0.80459%0.59SS**  trans-77.2150.9-174.2-54.9173.4132.500113.9
920N41.5Very low56.8Low135 Ų135117.3 Ų117.372%0.72260%0.596SS**  trans100.8131.8157.6-56-84000119.6
921N42.9Very low57Low128 Ų128115.6 Ų115.668%0.68459%0.589SS**SBendtrans72.588.9153.6-59.8-37000119.5N923N921-N923 VanDerWaalsContact C-N 3.29Å; N921-N923 PolarHBondContact O-N 2.78Å
922N52Low57.4Low143 Ų143112.8 Ų112.877%0.76558%0.578SS**SBendtrans62.5-32.5141-61.1-0.9000120.9E924N922-E924 PolarHBondContact O-N 3.47Å
923N57.6Low57.8Low116 Ų116111.6 Ų111.662%0.6257%0.568SS**THydrogen-bonded Turntrans-74.4-12.5-175-67.613.5000113.4N921 Q925 D926 L927N921-N923 VanDerWaalsContact C-N 3.29Å; N921-N923 PolarHBondContact O-N 2.78Å; N923-Q925 VanDerWaalsContact C-N 3.33Å; N923-Q925 PolarHBondContact O-N 2.87Å; N923-D926 PolarHBondContact O-N 3.19Å; N923-L927 PolarHBondContact O-N 3.45Å
924E54Low58.2Low164 Ų164108 Ų10877%0.76655%0.55SS*.Hα-helixtrans-59.5-39.2-176.2-167.1174.7-143.500112.8N922 Y928N922-E924 PolarHBondContact O-N 3.47Å; E924-Y928 WeakPolarHBondContact O-CB 3.46Å; E924-Y928 PolarHBondContact O-N 3.44Å
925Q65.3Low58.8Low122 Ų122104.4 Ų104.457%0.5753%0.529SS*.Hα-helixtrans-69.7-39179.3-169.468.367.700112.1N923 Y928 N929N923-Q925 VanDerWaalsContact C-N 3.33Å; N923-Q925 PolarHBondContact O-N 2.87Å; Q925-Y928 PolarHBondContact O-N 2.91Å; Q925-N929 WeakPolarHBondContact O-CB 3.4Å; Q925-N929 PolarHBondContact O-N 3.47Å; Q925-N929 PolarHBondContact O-ND2 3.15Å; Q925-N929 VanDerWaalsContact O-ND2 3.17Å; Q925-N929 PolarHBondContact O-OD1 3.36Å
926D64.9Low59.7Low100 Ų100102.9 Ų102.954%0.53552%0.52SS..Hα-helixtrans-72.1-43.5-179.9-68-30.4000110.9N923 Y928 N929 E930N923-D926 PolarHBondContact O-N 3.19Å; D926-Y928 VanDerWaalsContact C-N 3.28Å; D926-Y928 PolarHBondContact O-N 3.31Å; D926-N929 WeakPolarHBondContact O-CB 3.24Å; D926-N929 PolarHBondContact O-N 3.16Å; D926-N929 VanDerWaalsContact O-N 3.11Å; D926-E930 WeakPolarHBondContact O-CG 3.38Å; D926-E930 PolarHBondContact O-N 3.32Å
927L61.3Low60.7Low87 Ų8799.7 Ų99.746%0.45550%0.5SS..Hα-helixtrans-54.7-42.9169.8-95.6159.7000112.1N923 Y931N923-L927 PolarHBondContact O-N 3.45Å; L927-Y931 WeakPolarHBondContact O-CB 3.32Å; L927-Y931 PolarHBondContact O-N 2.86Å
928Y68.2Low62Low131 Ų13191.9 Ų91.951%0.51446%0.459SS..Hα-helixtrans-69.1-35.8177.4-156.3-94.8000112.5E924 Q925 D926 Y931 N932E924-Y928 WeakPolarHBondContact O-CB 3.46Å; E924-Y928 PolarHBondContact O-N 3.44Å; Q925-Y928 PolarHBondContact O-N 2.91Å; D926-Y928 VanDerWaalsContact C-N 3.28Å; D926-Y928 PolarHBondContact O-N 3.31Å; Y928-Y931 PolarHBondContact O-N 2.9Å; Y928-N932 WeakPolarHBondContact CD1-ND2 3.22Å; Y928-N932 VanDerWaalsContact CE1-ND2 3.26Å; Y928-N932 WeakPolarHBondContact CE1-ND2 3.36Å; Y928-N932 PolarHBondContact O-N 2.89Å; Y928-N932 VanDerWaalsContact O-N 3.11Å; Y928-N932 PolarHBondContact O-ND2 2.95Å
929N72.2Confident63.4Low82 Ų8289.6 Ų89.644%0.43944%0.444SS..Hα-helixtrans-65.7-46.7176.1-68.9-23.8000111.3Q925 D926 Y931 N932 Q933Q925-N929 WeakPolarHBondContact O-CB 3.4Å; Q925-N929 PolarHBondContact O-N 3.47Å; Q925-N929 PolarHBondContact O-ND2 3.15Å; Q925-N929 VanDerWaalsContact O-ND2 3.17Å; Q925-N929 PolarHBondContact O-OD1 3.36Å; D926-N929 WeakPolarHBondContact O-CB 3.24Å; D926-N929 PolarHBondContact O-N 3.16Å; D926-N929 VanDerWaalsContact O-N 3.11Å; N929-Y931 VanDerWaalsContact C-N 3.32Å; N929-Y931 PolarHBondContact O-N 3.03Å; N929-N932 PolarHBondContact O-N 3.21Å; N929-Q933 PolarHBondContact O-N 2.82Å
930E66.6Low65.2Low62 Ų6284.5 Ų84.529%0.2942%0.424SS..Hα-helixtrans-65.3-36.7176.4-63.1-163.2143.500111.5D926 N932 Q933 I934 K990D926-E930 WeakPolarHBondContact O-CG 3.38Å; D926-E930 PolarHBondContact O-N 3.32Å; E930-N932 VanDerWaalsContact C-N 3.3Å; E930-N932 PolarHBondContact O-N 3.46Å; E930-Q933 PolarHBondContact O-N 3.05Å; E930-Q933 VanDerWaalsContact O-N 3.17Å; E930-I934 VanDerWaalsContact O-CG1 3.3Å; E930-I934 WeakPolarHBondContact O-CG1 3.45Å; E930-I934 PolarHBondContact O-N 3.31Å; E930-K990 WeakPolarHBondContact OE1-CD 3.49Å; E930-K990 WeakPolarHBondContact OE1-CE 3.34Å; E930-K990 IonicContact OE1-NZ 3.89Å; E930-K990 PolarHBondContact OE1-NZ 3.25Å; E930-K990 VanDerWaalsContact OE2-CD 3.28Å; E930-K990 WeakPolarHBondContact OE2-CD 3.46Å
931Y67.8Low66.7Low15 Ų1579.1 Ų79.16%0.05940%0.396CS..Hα-helixtrans-57.4-42.7172.6-150.2-75.5000112.8M906 K910 L913 L927 Y928 N929 E935M906-Y931 PolarHBondContact O-OH 2.92Å; K910-Y931 HydrophobicContact CB-CE1 4.02Å; K910-Y931 HydrophobicContact CD-CD1 4.31Å; K910-Y931 HydrophobicContact CD-CE1 3.72Å; K910-Y931 HydrophobicContact CG-CD1 4.41Å; K910-Y931 HydrophobicContact CG-CE1 3.78Å; K910-Y931 PolarHBondContact N-OH 3.4Å; L913-Y931 HydrophobicContact CD1-CD2 3.68Å; L913-Y931 HydrophobicContact CD1-CE2 3.7Å; L927-Y931 WeakPolarHBondContact O-CB 3.32Å; L927-Y931 PolarHBondContact O-N 2.86Å; Y928-Y931 PolarHBondContact O-N 2.9Å; N929-Y931 VanDerWaalsContact C-N 3.32Å; N929-Y931 PolarHBondContact O-N 3.03Å; Y931-E935 WeakPolarHBondContact O-CB 3.03Å; Y931-E935 PolarHBondContact O-N 2.91Å
932N74Confident68.4Low67 Ų6775.6 Ų75.636%0.35838%0.377SS..Hα-helixtrans-71.7-31.3178.4-71.4-56.9000112.5Y928 N929 E930 E935 L936Y928-N932 WeakPolarHBondContact CD1-ND2 3.22Å; Y928-N932 VanDerWaalsContact CE1-ND2 3.26Å; Y928-N932 WeakPolarHBondContact CE1-ND2 3.36Å; Y928-N932 PolarHBondContact O-N 2.89Å; Y928-N932 VanDerWaalsContact O-N 3.11Å; Y928-N932 PolarHBondContact O-ND2 2.95Å; N929-N932 PolarHBondContact O-N 3.21Å; E930-N932 VanDerWaalsContact C-N 3.3Å; E930-N932 PolarHBondContact O-N 3.46Å; N932-E935 PolarHBondContact O-N 3.28Å; N932-L936 WeakPolarHBondContact O-CB 3.44Å; N932-L936 PolarHBondContact O-N 2.78Å
933Q71.1Confident69.7Low79 Ų7974.9 Ų74.937%0.36937%0.369SS..Hα-helixtrans-66.5-47173.2-170.462.75100111.1N929 E930 E935 L936 D937N929-Q933 PolarHBondContact O-N 2.82Å; E930-Q933 PolarHBondContact O-N 3.05Å; E930-Q933 VanDerWaalsContact O-N 3.17Å; Q933-E935 VanDerWaalsContact C-N 3.28Å; Q933-E935 PolarHBondContact O-N 2.79Å; Q933-L936 WeakPolarHBondContact O-CA 3.48Å; Q933-L936 WeakPolarHBondContact O-CB 3.34Å; Q933-L936 PolarHBondContact O-N 3.41Å; Q933-D937 PolarHBondContact NE2-OD1 2.96Å; Q933-D937 PolarHBondContact O-N 3.4Å
934I67.8Low70.5Confident5 Ų570.9 Ų70.93%0.02635%0.35CS..Hα-helixtrans-62.2-37.5176.9-58.7162.2000110.6M906 E930 L936 A938 L984 D987 L991M906-I934 HydrophobicContact CE-CB 4.26Å; M906-I934 HydrophobicContact CE-CG2 3.6Å; M906-I934 HydrophobicContact SD-CG2 4.05Å; E930-I934 VanDerWaalsContact O-CG1 3.3Å; E930-I934 WeakPolarHBondContact O-CG1 3.45Å; E930-I934 PolarHBondContact O-N 3.31Å; I934-L936 VanDerWaalsContact C-N 3.33Å; I934-A938 WeakPolarHBondContact O-CB 3.44Å; I934-A938 PolarHBondContact O-N 2.83Å; I934-L984 HydrophobicContact CG2-CD2 4.02Å; I934-D987 HydrophobicContact CD1-CB 3.99Å; I934-D987 WeakPolarHBondContact CD1-O 3.23Å; I934-D987 HydrophobicContact CG1-CB 3.48Å; I934-D987 VanDerWaalsContact CG1-CB 3.48Å; I934-L991 HydrophobicContact CD1-CD1 3.29Å
935E72.7Confident71.6Confident50 Ų5063.3 Ų63.323%0.23431%0.314CS..Hα-helixtrans-68.3-29.8174.4-168.3179.6136.100113.2M906 K910 Y931 N932 Q933 K939M906-E935 HydrophobicContact CE-CB 4.24Å; K910-E935 IonicContact NZ-OE2 3.27Å; K910-E935 PolarHBondContact NZ-OE2 3.39Å; Y931-E935 WeakPolarHBondContact O-CB 3.03Å; Y931-E935 PolarHBondContact O-N 2.91Å; N932-E935 PolarHBondContact O-N 3.28Å; Q933-E935 VanDerWaalsContact C-N 3.28Å; Q933-E935 PolarHBondContact O-N 2.79Å; E935-K939 WeakPolarHBondContact O-CD 3.47Å; E935-K939 VanDerWaalsContact O-CG 3.27Å; E935-K939 WeakPolarHBondContact O-CG 3.46Å; E935-K939 PolarHBondContact O-N 3.19Å; E935-K939 WeakPolarHBondContact OE1-CE 3.32Å; E935-K939 IonicContact OE1-NZ 3.04Å; E935-K939 PolarHBondContact OE1-NZ 3.15Å
936L76.5Confident72.1Confident96 Ų9660.3 Ų60.350%0.50330%0.302SS..Hα-helixtrans-70.8-53.2172.9-171.567.6000110.5N932 Q933 I934 A938 K939 T940N932-L936 WeakPolarHBondContact O-CB 3.44Å; N932-L936 PolarHBondContact O-N 2.78Å; Q933-L936 WeakPolarHBondContact O-CA 3.48Å; Q933-L936 WeakPolarHBondContact O-CB 3.34Å; Q933-L936 PolarHBondContact O-N 3.41Å; I934-L936 VanDerWaalsContact C-N 3.33Å; L936-A938 VanDerWaalsContact C-N 3.3Å; L936-A938 PolarHBondContact O-N 3.46Å; L936-K939 WeakPolarHBondContact O-CB 3.44Å; L936-K939 PolarHBondContact O-N 2.94Å; L936-T940 PolarHBondContact O-N 3.45Å; L936-T940 PolarHBondContact O-OG1 3.25Å
937D70.4Confident72.6Confident21 Ų2159.6 Ų59.611%0.11230%0.302CS..Hα-helixtrans-63.3-37.1-176.9-60.8-5.6000111.3Q933 K939 T940 L941 H983 L984Q933-D937 PolarHBondContact NE2-OD1 2.96Å; Q933-D937 PolarHBondContact O-N 3.4Å; D937-K939 VanDerWaalsContact C-N 3.33Å; D937-K939 PolarHBondContact O-N 2.99Å; D937-T940 PolarHBondContact O-N 2.82Å; D937-L941 PolarHBondContact O-N 3.44Å; D937-H983 IonicContact OD2-CG 3.48Å; D937-H983 IonicContact OD2-ND1 2.59Å; D937-H983 PolarHBondContact OD2-ND1 3.42Å; D937-L984 HydrophobicContact CB-CD2 4.05Å; D937-L984 HydrophobicContact CB-CG 3.86Å
938A69.8Low72.9Confident8 Ų856.1 Ų56.17%0.06628%0.283CS..Hα-helixtrans-64-35.317400000112.7L903 M906 I934 L936 N942 L984L903-A938 HydrophobicContact CD2-CB 4.33Å; M906-A938 HydrophobicContact CE-CB 4.37Å; M906-A938 HydrophobicContact SD-CB 3.98Å; I934-A938 WeakPolarHBondContact O-CB 3.44Å; I934-A938 PolarHBondContact O-N 2.83Å; L936-A938 VanDerWaalsContact C-N 3.3Å; L936-A938 PolarHBondContact O-N 3.46Å; A938-N942 WeakPolarHBondContact O-CB 3.25Å; A938-N942 PolarHBondContact O-N 3.46Å; A938-N942 VanDerWaalsContact O-N 3.12Å; A938-L984 HydrophobicContact CB-CD2 4.06Å
939K76.3Confident72.9Confident99 Ų9952.5 Ų52.543%0.4327%0.27SS..Hα-helixtrans-70.7-43.6173.6-73.5167.2-170162.30110.9E935 L936 D937 L941 N942 E943E935-K939 WeakPolarHBondContact O-CD 3.47Å; E935-K939 VanDerWaalsContact O-CG 3.27Å; E935-K939 WeakPolarHBondContact O-CG 3.46Å; E935-K939 PolarHBondContact O-N 3.19Å; E935-K939 WeakPolarHBondContact OE1-CE 3.32Å; E935-K939 IonicContact OE1-NZ 3.04Å; E935-K939 PolarHBondContact OE1-NZ 3.15Å; L936-K939 WeakPolarHBondContact O-CB 3.44Å; L936-K939 PolarHBondContact O-N 2.94Å; D937-K939 VanDerWaalsContact C-N 3.33Å; D937-K939 PolarHBondContact O-N 2.99Å; K939-L941 PolarHBondContact O-N 2.88Å; K939-N942 CarbonylContact O-C 3.58Å; K939-N942 PolarHBondContact O-N 2.85Å; K939-N942 VanDerWaalsContact O-N 3.17Å; K939-E943 WeakPolarHBondContact O-CG 3.4Å; K939-E943 PolarHBondContact O-N 2.94Å
940T76.2Confident72.9Confident64 Ų6455.2 Ų55.239%0.39328%0.28SS..Hα-helixtrans-62.6-39.2177.3-56.80000112.4L936 D937 E943 S944L936-T940 PolarHBondContact O-N 3.45Å; L936-T940 PolarHBondContact O-OG1 3.25Å; D937-T940 PolarHBondContact O-N 2.82Å; T940-E943 PolarHBondContact O-N 3.42Å; T940-S944 PolarHBondContact O-N 3.05Å; T940-S944 PolarHBondContact O-OG 3.45Å; T940-S944 VanDerWaalsContact O-OG 3.12Å
941L74Confident72.9Confident23 Ų2356.9 Ų56.912%0.1229%0.29CS..Hα-helixtrans-65-42.2172.7-169.872.2000111.6D937 K939 S944 F945 Y977 L984D937-L941 PolarHBondContact O-N 3.44Å; K939-L941 PolarHBondContact O-N 2.88Å; L941-S944 PolarHBondContact O-OG 2.98Å; L941-F945 WeakPolarHBondContact O-CB 3.5Å; L941-F945 PolarHBondContact O-N 3.09Å; L941-Y977 HydrophobicContact CD1-CD2 3.91Å; L941-Y977 HydrophobicContact CD1-CE2 4.05Å; L941-L984 HydrophobicContact CB-CD1 3.87Å; L941-L984 HydrophobicContact CD2-CD1 3.62Å; L941-L984 HydrophobicContact CG-CD1 4.3Å
942N78.5Confident72.7Confident53 Ų5356.7 Ų56.728%0.28329%0.29SS..Hα-helixtrans-66-39.1175.6173.775.2000112.7I899 A938 K939 N946I899-N942 HydrophobicContact CG2-CB 4.1Å; A938-N942 WeakPolarHBondContact O-CB 3.25Å; A938-N942 PolarHBondContact O-N 3.46Å; A938-N942 VanDerWaalsContact O-N 3.12Å; K939-N942 CarbonylContact O-C 3.58Å; K939-N942 PolarHBondContact O-N 2.85Å; K939-N942 VanDerWaalsContact O-N 3.17Å; N942-N946 PolarHBondContact ND2-ND2 3.11Å; N942-N946 PolarHBondContact O-N 3.16Å; N942-N946 PolarHBondContact O-ND2 2.73Å; N942-N946 PolarHBondContact OD1-ND2 3.34Å
943E78.6Confident72.1Confident128 Ų12858.5 Ų58.560%0.59830%0.295SS*.Hα-helixtrans-64.3-48.5175.4-75.7-178.5163.700111.2K939 T940 F945 N946 T947K939-E943 WeakPolarHBondContact O-CG 3.4Å; K939-E943 PolarHBondContact O-N 2.94Å; T940-E943 PolarHBondContact O-N 3.42Å; E943-F945 VanDerWaalsContact C-N 3.33Å; E943-F945 PolarHBondContact O-N 2.91Å; E943-N946 PolarHBondContact O-N 3.32Å; E943-T947 PolarHBondContact O-N 3.46Å; E943-T947 PolarHBondContact O-OG1 3.35Å
944S73.5Confident71.7Confident32 Ų3258.2 Ų58.222%0.22430%0.302CS..Hα-helixtrans-61.9-37.3177.261.60000113T940 L941 T947 M948T940-S944 PolarHBondContact O-N 3.05Å; T940-S944 PolarHBondContact O-OG 3.45Å; T940-S944 VanDerWaalsContact O-OG 3.12Å; L941-S944 PolarHBondContact O-OG 2.98Å; S944-T947 PolarHBondContact O-N 2.69Å; S944-M948 WeakPolarHBondContact O-CB 3.32Å; S944-M948 PolarHBondContact O-N 2.78Å
945F77Confident71Confident5 Ų562 Ų622%0.02232%0.322CS..Hα-helixtrans-63.6-38.3171.3177.3-94.3000112.7I892 C895 Q896 I899 L941 E943 M948 K949 W971I892-F945 HydrophobicContact CG2-CZ 4.39Å; C895-F945 HydrophobicContact CB-CD2 4.27Å; C895-F945 HydrophobicContact CB-CE2 3.39Å; C895-F945 HydrophobicContact CB-CZ 3.66Å; Q896-F945 HydrophobicContact CG-CE1 3.56Å; Q896-F945 HydrophobicContact CG-CZ 3.97Å; I899-F945 HydrophobicContact CD1-CB 3.84Å; I899-F945 HydrophobicContact CD1-CD1 3.73Å; I899-F945 HydrophobicContact CD1-CD2 4.03Å; I899-F945 HydrophobicContact CD1-CE1 4.35Å; I899-F945 HydrophobicContact CD1-CG 3.55Å; L941-F945 WeakPolarHBondContact O-CB 3.5Å; L941-F945 PolarHBondContact O-N 3.09Å; E943-F945 VanDerWaalsContact C-N 3.33Å; E943-F945 PolarHBondContact O-N 2.91Å; F945-M948 PolarHBondContact O-N 2.85Å; F945-K949 HydrophobicContact CE1-CD 4.37Å; F945-K949 VanDerWaalsContact O-CB 3.3Å; F945-K949 WeakPolarHBondContact O-CB 3.46Å; F945-K949 PolarHBondContact O-N 3.23Å; F945-W971 HydrophobicContact CB-CH2 3.98Å; F945-W971 HydrophobicContact CB-CZ2 4.19Å; F945-W971 AromaticContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CZ3 4.15Å; F945-W971 HydrophobicContact CG-CH2 4.42Å
946N77Confident70.1Confident59 Ų5963.2 Ų63.232%0.31633%0.327SS..Hα-helixtrans-71.9-34.4177-76.4-67.7000112.2N942 E943 K949 H950N942-N946 PolarHBondContact ND2-ND2 3.11Å; N942-N946 PolarHBondContact O-N 3.16Å; N942-N946 PolarHBondContact O-ND2 2.73Å; N942-N946 PolarHBondContact OD1-ND2 3.34Å; E943-N946 PolarHBondContact O-N 3.32Å; N946-K949 PolarHBondContact O-N 3.23Å; N946-H950 PolarHBondContact O-N 2.93Å
947T74.8Confident69Low86 Ų8666.5 Ų66.553%0.52835%0.345SS..Hα-helixtrans-63.3-47.7170.1-54.70000111.4E943 S944 K949 H950 L951E943-T947 PolarHBondContact O-N 3.46Å; E943-T947 PolarHBondContact O-OG1 3.35Å; S944-T947 PolarHBondContact O-N 2.69Å; T947-K949 PolarHBondContact O-N 2.7Å; T947-H950 PolarHBondContact O-N 3.45Å; T947-H950 VanDerWaalsContact O-N 3.16Å; T947-L951 HydrophobicContact CG2-CD1 4.37Å; T947-L951 WeakPolarHBondContact O-CG 3.25Å; T947-L951 PolarHBondContact O-N 3.28Å
948M67.4Low67.8Low13 Ų1368.8 Ų68.86%0.06437%0.367CS..Hα-helixtrans-54.7-49.3172.9169.393.9-47.500111.3S944 F945 H950 L951 I952 F968 W971S944-M948 WeakPolarHBondContact O-CB 3.32Å; S944-M948 PolarHBondContact O-N 2.78Å; F945-M948 PolarHBondContact O-N 2.85Å; M948-H950 VanDerWaalsContact C-N 3.27Å; M948-H950 PolarHBondContact O-N 3.01Å; M948-L951 PolarHBondContact O-N 3.09Å; M948-I952 HydrophobicContact CE-CD1 4.44Å; M948-I952 HydrophobicContact CG-CD1 3.86Å; M948-I952 WeakPolarHBondContact O-CG1 3.42Å; M948-I952 PolarHBondContact O-N 3.07Å; M948-I952 HydrophobicContact SD-CD1 3.94Å; M948-F968 HydrophobicContact CG-CD2 3.96Å; M948-F968 HydrophobicContact CG-CE2 4.29Å; M948-F968 HydrophobicContact SD-CB 4.45Å; M948-F968 HydrophobicContact SD-CD2 3.68Å; M948-F968 HydrophobicContact SD-CE2 4.43Å; M948-F968 HydrophobicContact SD-CG 4.48Å; M948-W971 HydrophobicContact CB-CD2 4.2Å; M948-W971 HydrophobicContact CB-CG 4.46Å; M948-W971 HydrophobicContact CE-CB 3.8Å; M948-W971 HydrophobicContact CE-CG 4.1Å; M948-W971 HydrophobicContact CG-CD2 4.01Å; M948-W971 HydrophobicContact CG-CE3 4.02Å; M948-W971 HydrophobicContact CG-CG 4.32Å; M948-W971 HydrophobicContact SD-CB 3.28Å; M948-W971 WeakPolarHBondContact SD-CB 3.3Å; M948-W971 HydrophobicContact SD-CD2 3.64Å; M948-W971 HydrophobicContact SD-CE3 3.8Å; M948-W971 HydrophobicContact SD-CG 3.44Å
949K69.3Low66.4Low55 Ų5576 Ų7624%0.23940%0.399CS..Hα-helixtrans-60.1-36.9178.4-178.7178.8173.6-179.10112.1I892 F945 N946 T947 F953I892-K949 HydrophobicContact CG2-CD 4.07Å; I892-K949 HydrophobicContact CG2-CG 4.48Å; F945-K949 HydrophobicContact CE1-CD 4.37Å; F945-K949 VanDerWaalsContact O-CB 3.3Å; F945-K949 WeakPolarHBondContact O-CB 3.46Å; F945-K949 PolarHBondContact O-N 3.23Å; N946-K949 PolarHBondContact O-N 3.23Å; T947-K949 PolarHBondContact O-N 2.7Å; K949-F953 HydrophobicContact CG-CD2 4.3Å; K949-F953 WeakPolarHBondContact O-CB 3.4Å; K949-F953 PolarHBondContact O-N 2.73Å; K949-F953 VanDerWaalsContact O-N 3.15Å
950H72.2Confident64.7Low139 Ų13979.2 Ų79.264%0.64442%0.415SS*.Hα-helixtrans-67.1-48.5176-113.4-70.2000112.1N946 T947 M948 I952 F953 S954N946-H950 PolarHBondContact O-N 2.93Å; T947-H950 PolarHBondContact O-N 3.45Å; T947-H950 VanDerWaalsContact O-N 3.16Å; M948-H950 VanDerWaalsContact C-N 3.27Å; M948-H950 PolarHBondContact O-N 3.01Å; H950-I952 PolarHBondContact O-N 3.18Å; H950-F953 PolarHBondContact O-N 3.07Å; H950-S954 PolarHBondContact O-N 3.35Å; H950-S954 PolarHBondContact O-OG 2.68Å; H950-S954 VanDerWaalsContact O-OG 3.1Å
951L66Low63.3Low97 Ų9779 Ų7951%0.50841%0.412SS..Hα-helixtrans-56.7-49.5177.4-69.7166.7000111.2T947 M948 F953 S954 D955T947-L951 HydrophobicContact CG2-CD1 4.37Å; T947-L951 WeakPolarHBondContact O-CG 3.25Å; T947-L951 PolarHBondContact O-N 3.28Å; M948-L951 PolarHBondContact O-N 3.09Å; L951-F953 VanDerWaalsContact C-N 3.31Å; L951-F953 PolarHBondContact O-N 3.48Å; L951-S954 PolarHBondContact O-N 3.04Å; L951-S954 VanDerWaalsContact O-N 3.11Å; L951-D955 PolarHBondContact O-N 2.88Å
952I63Low62.3Low11 Ų1184 Ų846%0.05644%0.443CS..Hα-helixtrans-59.8-39.6179-69.5171.3000111.9M948 H950 F956 F968M948-I952 HydrophobicContact CE-CD1 4.44Å; M948-I952 HydrophobicContact CG-CD1 3.86Å; M948-I952 WeakPolarHBondContact O-CG1 3.42Å; M948-I952 PolarHBondContact O-N 3.07Å; M948-I952 HydrophobicContact SD-CD1 3.94Å; H950-I952 PolarHBondContact O-N 3.18Å; I952-F956 HydrophobicContact CG2-CD2 4.24Å; I952-F956 HydrophobicContact CG2-CE2 3.85Å; I952-F956 WeakPolarHBondContact O-CD2 3.08Å; I952-F968 HydrophobicContact CD1-CB 3.94Å; I952-F968 HydrophobicContact CD1-CD2 3.59Å; I952-F968 HydrophobicContact CD1-CG 4.15Å
953F62.1Low61.3Low105 Ų10585.6 Ų85.646%0.46145%0.452SS..Hα-helixtrans-80.3-13.8177.9-96.1-81.8000114.9I892 K949 H950 L951I892-F953 HydrophobicContact CD1-CD2 4.37Å; I892-F953 HydrophobicContact CD1-CE2 3.8Å; K949-F953 HydrophobicContact CG-CD2 4.3Å; K949-F953 WeakPolarHBondContact O-CB 3.4Å; K949-F953 PolarHBondContact O-N 2.73Å; K949-F953 VanDerWaalsContact O-N 3.15Å; H950-F953 PolarHBondContact O-N 3.07Å; L951-F953 VanDerWaalsContact C-N 3.31Å; L951-F953 PolarHBondContact O-N 3.48Å
954S61.9Low60.1Low74 Ų7480.7 Ų80.752%0.51743%0.432SS..Hα-helixtrans-75.1-43.6176.9-74.80000112.3H950 L951H950-S954 PolarHBondContact O-N 3.35Å; H950-S954 PolarHBondContact O-OG 2.68Å; H950-S954 VanDerWaalsContact O-OG 3.1Å; L951-S954 PolarHBondContact O-N 3.04Å; L951-S954 VanDerWaalsContact O-N 3.11Å
955D54.6Low59.3Low85 Ų8582.6 Ų82.646%0.45544%0.439SS..SBendtrans-89.3-3.1-170.3-61.2-19.1000113.7L951 N957 A958L951-D955 PolarHBondContact O-N 2.88Å; D955-N957 PolarHBondContact O-N 2.64Å; D955-A958 PolarHBondContact O-N 2.93Å
956F53.4Low58.7Low74 Ų7487.4 Ų87.433%0.32546%0.462SS..THydrogen-bonded Turntrans-680.8-174.9-113.5-53000116Y888 I952Y888-F956 HydrophobicContact CD2-CE2 4.24Å; Y888-F956 AromaticContact CD2-CZ 3.55Å; Y888-F956 HydrophobicContact CD2-CZ 3.55Å; Y888-F956 AromaticContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CE2-CZ 3.73Å; Y888-F956 HydrophobicContact CG-CZ 4.29Å; I952-F956 HydrophobicContact CG2-CD2 4.24Å; I952-F956 HydrophobicContact CG2-CE2 3.85Å; I952-F956 WeakPolarHBondContact O-CD2 3.08Å
957N53.4Low58.2Low165 Ų16588.7 Ų88.788%0.88247%0.468SS*.THydrogen-bonded Turntrans-105.70.4-179.1-78.8-7.2000113.9D955D955-N957 PolarHBondContact O-N 2.64Å
958A44.8Very low57.7Low70 Ų7085 Ų8558%0.57945%0.445SS*.SBendtrans-106.4140.5174.200000111D955D955-A958 PolarHBondContact O-N 2.93Å
959E39.8Very low57.6Low158 Ų15886.7 Ų86.774%0.73846%0.457SS*.SBendtrans-65.1146.5171.6-68168.6125.300110.2
960H40.6Very low57.6Low167 Ų16788 Ų8877%0.77347%0.467SS*.  trans60.498.9-170.6-49.1-89000115.9
961N48.6Very low57.5Low60 Ų6083 Ų8332%0.32144%0.442SS..  trans-153.478.9152.1-117-19.1000114N963 S964N961-N963 PolarHBondContact O-N 3.33Å; N961-N963 VanDerWaalsContact OD1-CB 3.31Å; N961-N963 WeakPolarHBondContact OD1-CB 3.44Å; N961-N963 PolarHBondContact OD1-ND2 2.87Å; N961-S964 WeakPolarHBondContact O-CB 3.21Å; N961-S964 PolarHBondContact O-N 3.12Å; N961-S964 PolarHBondContact O-OG 2.65Å
962V51.6Low57.4Low128 Ų12880.7 Ų80.778%0.77643%0.43SS*.THydrogen-bonded Turntrans-55.9-31.8161.21760000110.4S964 L965 E966V962-S964 PolarHBondContact O-N 2.7Å; V962-L965 PolarHBondContact O-N 3.42Å; V962-E966 PolarHBondContact O-N 3.19Å
963N58.3Low57.7Low87 Ų8785.9 Ų85.947%0.46546%0.458SS..Hα-helixtrans-54.8-18.4172.6-50.8-43.1000113.9N961 L965 E966 L967N961-N963 PolarHBondContact O-N 3.33Å; N961-N963 VanDerWaalsContact OD1-CB 3.31Å; N961-N963 WeakPolarHBondContact OD1-CB 3.44Å; N961-N963 PolarHBondContact OD1-ND2 2.87Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.94Å; N963-E966 PolarHBondContact O-N 3.03Å; N963-L967 WeakPolarHBondContact O-CB 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.5Å; N963-L967 WeakPolarHBondContact O-CG 3.42Å; N963-L967 PolarHBondContact O-N 3.1Å
964S53.8Low58Low25 Ų2582.1 Ų82.118%0.17544%0.444CS..Hα-helixtrans-62.8-35.6174.158.20000112.5Y888 N961 V962 F968Y888-S964 VanDerWaalsContact OH-C 3.23Å; Y888-S964 WeakPolarHBondContact OH-CB 3.49Å; Y888-S964 PolarHBondContact OH-OG 3.05Å; N961-S964 WeakPolarHBondContact O-CB 3.21Å; N961-S964 PolarHBondContact O-N 3.12Å; N961-S964 PolarHBondContact O-OG 2.65Å; V962-S964 PolarHBondContact O-N 2.7Å; S964-F968 PolarHBondContact O-N 3.35Å
965L56Low58.4Low72 Ų7286.2 Ų86.238%0.37746%0.455SS..Hα-helixtrans-81.9-38.8179.4-141.5153.1000109.3Y888 V962 N963 F968 C969Y888-L965 HydrophobicContact CE1-CG 4.21Å; Y888-L965 WeakPolarHBondContact OH-CA 3.33Å; Y888-L965 WeakPolarHBondContact OH-CB 3.49Å; Y888-L965 WeakPolarHBondContact OH-CG 3.28Å; Y888-L965 PolarHBondContact OH-N 3.45Å; V962-L965 PolarHBondContact O-N 3.42Å; N963-L965 VanDerWaalsContact C-N 3.28Å; N963-L965 PolarHBondContact O-N 2.94Å; L965-F968 PolarHBondContact O-N 2.88Å; L965-C969 WeakPolarHBondContact O-CB 3.45Å; L965-C969 PolarHBondContact O-N 3.44Å; L965-C969 PolarHBondContact O-SG 2.86Å
966E64.1Low59Low106 Ų10685.6 Ų85.650%0.49546%0.458SS..Hα-helixtrans-63.2-39.5173.4-149.7-170.614100112.2V962 N963 C969 N970V962-E966 PolarHBondContact O-N 3.19Å; N963-E966 PolarHBondContact O-N 3.03Å; E966-C969 CarbonylContact O-C 3.08Å; E966-C969 PolarHBondContact O-N 3.06Å; E966-N970 WeakPolarHBondContact O-CA 3.49Å; E966-N970 WeakPolarHBondContact O-CB 3.38Å; E966-N970 PolarHBondContact O-N 3.42Å; E966-N970 PolarHBondContact O-ND2 3.45Å; E966-N970 PolarHBondContact OE1-ND2 2.87Å
967L66.3Low59.6Low85 Ų8585.1 Ų85.145%0.44546%0.455SS..Hα-helixtrans-64-41.8174.6-81.8164.7000112.1N963 N970 W971N963-L967 WeakPolarHBondContact O-CB 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.5Å; N963-L967 WeakPolarHBondContact O-CG 3.42Å; N963-L967 PolarHBondContact O-N 3.1Å; L967-N970 PolarHBondContact O-N 3.48Å; L967-W971 WeakPolarHBondContact O-CB 3.42Å; L967-W971 PolarHBondContact O-N 3.14Å
968F63.7Low60.3Low10 Ų1080 Ų804%0.04443%0.429CS..Hα-helixtrans-68.2-41175.7-172-103.4000111.8L891 M948 I952 S964 L965 W971 L972L891-F968 HydrophobicContact CD2-CD1 4.24Å; L891-F968 HydrophobicContact CD2-CE1 3.62Å; L891-F968 HydrophobicContact CD2-CZ 4.35Å; M948-F968 HydrophobicContact CG-CD2 3.96Å; M948-F968 HydrophobicContact CG-CE2 4.29Å; M948-F968 HydrophobicContact SD-CB 4.45Å; M948-F968 HydrophobicContact SD-CD2 3.68Å; M948-F968 HydrophobicContact SD-CE2 4.43Å; M948-F968 HydrophobicContact SD-CG 4.48Å; I952-F968 HydrophobicContact CD1-CB 3.94Å; I952-F968 HydrophobicContact CD1-CD2 3.59Å; I952-F968 HydrophobicContact CD1-CG 4.15Å; S964-F968 PolarHBondContact O-N 3.35Å; L965-F968 PolarHBondContact O-N 2.88Å; F968-W971 HydrophobicContact CE2-CE3 4.24Å; F968-W971 HydrophobicContact CE2-CZ3 4.31Å; F968-W971 PolarHBondContact O-N 3.33Å; F968-L972 HydrophobicContact CD1-CD1 3.9Å; F968-L972 HydrophobicContact CD1-CG 4.45Å; F968-L972 HydrophobicContact CE1-CD1 3.47Å; F968-L972 VanDerWaalsContact CE1-CD1 3.47Å; F968-L972 HydrophobicContact CE1-CG 4.11Å; F968-L972 HydrophobicContact CZ-CD1 4.12Å; F968-L972 HydrophobicContact CZ-CG 4.37Å; F968-L972 WeakPolarHBondContact O-CG 3.45Å; F968-L972 PolarHBondContact O-N 2.82Å
969C65.5Low61.5Low48 Ų4880.1 Ų80.132%0.32442%0.423SS..Hα-helixtrans-64.4-41.5172-770000112.4L965 E966 W971 L972 N973L965-C969 WeakPolarHBondContact O-CB 3.45Å; L965-C969 PolarHBondContact O-N 3.44Å; L965-C969 PolarHBondContact O-SG 2.86Å; E966-C969 CarbonylContact O-C 3.08Å; E966-C969 PolarHBondContact O-N 3.06Å; C969-W971 VanDerWaalsContact C-N 3.3Å; C969-W971 PolarHBondContact O-N 3.32Å; C969-L972 PolarHBondContact O-N 3.02Å; C969-N973 VanDerWaalsContact O-CB 3.24Å; C969-N973 WeakPolarHBondContact O-CB 3.2Å; C969-N973 PolarHBondContact O-N 2.73Å; C969-N973 PolarHBondContact O-ND2 2.84Å
970N70Confident62.8Low83 Ų8373.9 Ų73.944%0.44440%0.397SS..Hα-helixtrans-69.9-27.2178.6-73.7-19.4000111.8E966 L967 N973 S974E966-N970 WeakPolarHBondContact O-CA 3.49Å; E966-N970 WeakPolarHBondContact O-CB 3.38Å; E966-N970 PolarHBondContact O-N 3.42Å; E966-N970 PolarHBondContact O-ND2 3.45Å; E966-N970 PolarHBondContact OE1-ND2 2.87Å; L967-N970 PolarHBondContact O-N 3.48Å; N970-N973 CarbonylContact O-C 3.58Å; N970-S974 WeakPolarHBondContact O-CA 3.34Å; N970-S974 VanDerWaalsContact O-CB 3.23Å; N970-S974 WeakPolarHBondContact O-CB 3.49Å; N970-S974 PolarHBondContact O-N 2.96Å
971W71Confident63.8Low32 Ų3267.1 Ų67.112%0.12137%0.367CS..Hα-helixtrans-73.7-45.6167.1179.874.1000112.2F945 M948 L967 F968 C969 N973 S974 Y977F945-W971 HydrophobicContact CB-CH2 3.98Å; F945-W971 HydrophobicContact CB-CZ2 4.19Å; F945-W971 AromaticContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CH2 3.83Å; F945-W971 HydrophobicContact CD2-CZ3 4.15Å; F945-W971 HydrophobicContact CG-CH2 4.42Å; M948-W971 HydrophobicContact CB-CD2 4.2Å; M948-W971 HydrophobicContact CB-CG 4.46Å; M948-W971 HydrophobicContact CE-CB 3.8Å; M948-W971 HydrophobicContact CE-CG 4.1Å; M948-W971 HydrophobicContact CG-CD2 4.01Å; M948-W971 HydrophobicContact CG-CE3 4.02Å; M948-W971 HydrophobicContact CG-CG 4.32Å; M948-W971 HydrophobicContact SD-CB 3.28Å; M948-W971 WeakPolarHBondContact SD-CB 3.3Å; M948-W971 HydrophobicContact SD-CD2 3.64Å; M948-W971 HydrophobicContact SD-CE3 3.8Å; M948-W971 HydrophobicContact SD-CG 3.44Å; L967-W971 WeakPolarHBondContact O-CB 3.42Å; L967-W971 PolarHBondContact O-N 3.14Å; F968-W971 HydrophobicContact CE2-CE3 4.24Å; F968-W971 HydrophobicContact CE2-CZ3 4.31Å; F968-W971 PolarHBondContact O-N 3.33Å; C969-W971 VanDerWaalsContact C-N 3.3Å; C969-W971 PolarHBondContact O-N 3.32Å; W971-N973 PolarHBondContact O-N 3.3Å; W971-S974 VanDerWaalsContact O-CB 3.27Å; W971-S974 WeakPolarHBondContact O-CB 3.47Å; W971-S974 PolarHBondContact O-N 2.92Å; W971-S974 PolarHBondContact O-OG 2.73Å; W971-Y977 HydrophobicContact CD2-CD2 4.36Å; W971-Y977 HydrophobicContact CE3-CD2 4.26Å; W971-Y977 AromaticContact CH2-CD2 3.54Å; W971-Y977 HydrophobicContact CH2-CD2 3.54Å; W971-Y977 AromaticContact CH2-CE2 3.69Å; W971-Y977 HydrophobicContact CH2-CE2 3.69Å; W971-Y977 AromaticContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CE2 4.27Å; W971-Y977 AromaticContact CZ3-CD2 3.86Å; W971-Y977 HydrophobicContact CZ3-CD2 3.86Å; W971-Y977 AromaticContact CZ3-CE2 3.91Å; W971-Y977 HydrophobicContact CZ3-CE2 3.91Å; W971-Y977 WeakPolarHBondContact O-CB 3.43Å
972L63.3Low64.8Low50 Ų5069.3 Ų69.326%0.26238%0.379SS..Hα-helixtrans-61.3-29.9173.9-73.3176.9000113.1F968 C969 Y977F968-L972 HydrophobicContact CD1-CD1 3.9Å; F968-L972 HydrophobicContact CD1-CG 4.45Å; F968-L972 HydrophobicContact CE1-CD1 3.47Å; F968-L972 VanDerWaalsContact CE1-CD1 3.47Å; F968-L972 HydrophobicContact CE1-CG 4.11Å; F968-L972 HydrophobicContact CZ-CD1 4.12Å; F968-L972 HydrophobicContact CZ-CG 4.37Å; F968-L972 WeakPolarHBondContact O-CG 3.45Å; F968-L972 PolarHBondContact O-N 2.82Å; C969-L972 PolarHBondContact O-N 3.02Å; L972-Y977 HydrophobicContact CD2-CD1 4.42Å; L972-Y977 HydrophobicContact CD2-CE1 3.93Å; L972-Y977 HydrophobicContact CD2-CE2 4.08Å; L972-Y977 WeakPolarHBondContact O-CD1 3.45Å
973N68.6Low65.5Low120 Ų12067.1 Ų67.164%0.64236%0.36SS*.THydrogen-bonded Turntrans-90.6-4173.7-64.3-26.2000112.9C969 N970 W971C969-N973 VanDerWaalsContact O-CB 3.24Å; C969-N973 WeakPolarHBondContact O-CB 3.2Å; C969-N973 PolarHBondContact O-N 2.73Å; C969-N973 PolarHBondContact O-ND2 2.84Å; N970-N973 CarbonylContact O-C 3.58Å; W971-N973 PolarHBondContact O-N 3.3Å
974S69.5Low65.8Low25 Ų2563.6 Ų63.618%0.17534%0.341CS..SBendtrans-69.8142.8-174.867.50000110.9N970 W971 S976 Y977 T978N970-S974 WeakPolarHBondContact O-CA 3.34Å; N970-S974 VanDerWaalsContact O-CB 3.23Å; N970-S974 WeakPolarHBondContact O-CB 3.49Å; N970-S974 PolarHBondContact O-N 2.96Å; W971-S974 VanDerWaalsContact O-CB 3.27Å; W971-S974 WeakPolarHBondContact O-CB 3.47Å; W971-S974 PolarHBondContact O-N 2.92Å; W971-S974 PolarHBondContact O-OG 2.73Å; S974-S976 PolarHBondContact O-N 3.29Å; S974-S976 VanDerWaalsContact O-N 3.13Å; S974-S976 PolarHBondContact OG-OG 3.42Å; S974-Y977 PolarHBondContact O-N 2.82Å; S974-Y977 VanDerWaalsContact O-N 3.08Å; S974-Y977 WeakPolarHBondContact OG-CB 3.27Å; S974-Y977 PolarHBondContact OG-N 3.09Å; S974-Y977 VanDerWaalsContact OG-N 3.12Å; S974-T978 PolarHBondContact O-N 2.85Å; S974-T978 PolarHBondContact O-OG1 3.27Å
975E69.9Low66.3Low160 Ų16065.4 Ų65.475%0.74835%0.346SS*.Hα-helixtrans-58.9-25.9175.8-167.6170.5-148.600112T978 T979E975-T978 WeakPolarHBondContact CA-OG1 3.12Å; E975-T978 PolarHBondContact O-OG1 3.06Å; E975-T979 WeakPolarHBondContact O-CB 3.47Å; E975-T979 PolarHBondContact O-N 2.85Å; E975-T979 PolarHBondContact O-OG1 3.46Å
976S66.4Low66.8Low73 Ų7368.6 Ų68.651%0.5136%0.357SS..Hα-helixtrans-73.7-42.117461.30000112.9S974 S980S974-S976 PolarHBondContact O-N 3.29Å; S974-S976 VanDerWaalsContact O-N 3.13Å; S974-S976 PolarHBondContact OG-OG 3.42Å; S976-S980 WeakPolarHBondContact O-CB 3.42Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.76Å
977Y66.1Low66.6Low64 Ų6463.9 Ų63.925%0.25134%0.335SS..Hα-helixtrans-68.4-47.1173.9177.5-93.3000111.5L941 W971 L972 S974 S980 T981L941-Y977 HydrophobicContact CD1-CD2 3.91Å; L941-Y977 HydrophobicContact CD1-CE2 4.05Å; W971-Y977 HydrophobicContact CD2-CD2 4.36Å; W971-Y977 HydrophobicContact CE3-CD2 4.26Å; W971-Y977 AromaticContact CH2-CD2 3.54Å; W971-Y977 HydrophobicContact CH2-CD2 3.54Å; W971-Y977 AromaticContact CH2-CE2 3.69Å; W971-Y977 HydrophobicContact CH2-CE2 3.69Å; W971-Y977 AromaticContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CD2 3.66Å; W971-Y977 HydrophobicContact CZ2-CE2 4.27Å; W971-Y977 AromaticContact CZ3-CD2 3.86Å; W971-Y977 HydrophobicContact CZ3-CD2 3.86Å; W971-Y977 AromaticContact CZ3-CE2 3.91Å; W971-Y977 HydrophobicContact CZ3-CE2 3.91Å; W971-Y977 WeakPolarHBondContact O-CB 3.43Å; L972-Y977 HydrophobicContact CD2-CD1 4.42Å; L972-Y977 HydrophobicContact CD2-CE1 3.93Å; L972-Y977 HydrophobicContact CD2-CE2 4.08Å; L972-Y977 WeakPolarHBondContact O-CD1 3.45Å; S974-Y977 PolarHBondContact O-N 2.82Å; S974-Y977 VanDerWaalsContact O-N 3.08Å; S974-Y977 WeakPolarHBondContact OG-CB 3.27Å; S974-Y977 PolarHBondContact OG-N 3.09Å; S974-Y977 VanDerWaalsContact OG-N 3.12Å; Y977-S980 PolarHBondContact O-N 2.79Å; Y977-T981 WeakPolarHBondContact O-CB 3.28Å; Y977-T981 PolarHBondContact O-N 3.1Å; Y977-T981 PolarHBondContact O-OG1 3.14Å
978T69Low66.2Low56 Ų5661.2 Ų61.234%0.34432%0.321SS..Hα-helixtrans-64.6-46-179.858.60000110.7S974 E975 S980 T981 D982S974-T978 PolarHBondContact O-N 2.85Å; S974-T978 PolarHBondContact O-OG1 3.27Å; E975-T978 WeakPolarHBondContact CA-OG1 3.12Å; E975-T978 PolarHBondContact O-OG1 3.06Å; T978-S980 PolarHBondContact O-N 2.7Å; T978-T981 PolarHBondContact O-N 2.73Å; T978-D982 VanDerWaalsContact O-CB 3.27Å; T978-D982 WeakPolarHBondContact O-CB 3.35Å; T978-D982 PolarHBondContact O-N 2.91Å
979T69.1Low66Low73 Ų7364.7 Ų64.745%0.44834%0.34SS..Hα-helixtrans-63.6-43.2175.8-56.70000112.1E975 T981 D982 H983E975-T979 WeakPolarHBondContact O-CB 3.47Å; E975-T979 PolarHBondContact O-N 2.85Å; E975-T979 PolarHBondContact O-OG1 3.46Å; T979-T981 VanDerWaalsContact C-N 3.33Å; T979-T981 PolarHBondContact O-N 3.39Å; T979-D982 PolarHBondContact O-N 2.84Å; T979-H983 WeakPolarHBondContact O-CB 3.46Å; T979-H983 PolarHBondContact O-N 3.32Å
980S66.5Low65.6Low27 Ų2767.2 Ų67.219%0.18935%0.345CS..Hα-helixtrans-65.4-37.9178.4-57.30000112S976 Y977 T978 L984S976-S980 WeakPolarHBondContact O-CB 3.42Å; S976-S980 PolarHBondContact O-N 3.35Å; S976-S980 PolarHBondContact O-OG 2.76Å; Y977-S980 PolarHBondContact O-N 2.79Å; T978-S980 PolarHBondContact O-N 2.7Å; S980-L984 WeakPolarHBondContact O-CB 3.32Å; S980-L984 PolarHBondContact O-N 3.48Å
981T63.1Low64.9Low26 Ų2664.2 Ų64.216%0.1633%0.33CS..Hα-helixtrans-71.5-41.1177.6-54.40000110.9Y977 T978 T979 L984 F985Y977-T981 WeakPolarHBondContact O-CB 3.28Å; Y977-T981 PolarHBondContact O-N 3.1Å; Y977-T981 PolarHBondContact O-OG1 3.14Å; T978-T981 PolarHBondContact O-N 2.73Å; T979-T981 VanDerWaalsContact C-N 3.33Å; T979-T981 PolarHBondContact O-N 3.39Å; T981-L984 PolarHBondContact O-N 2.98Å; T981-F985 HydrophobicContact CG2-CD2 3.88Å; T981-F985 HydrophobicContact CG2-CE2 4.11Å; T981-F985 WeakPolarHBondContact O-CB 3.3Å; T981-F985 WeakPolarHBondContact O-CD2 3.5Å; T981-F985 PolarHBondContact O-N 3.01Å
982D68.1Low63.9Low105 Ų10569.8 Ų69.856%0.56136%0.362SS*.Hα-helixtrans-68.1-32.2174.9-83.61000112.6T978 T979 K986T978-D982 VanDerWaalsContact O-CB 3.27Å; T978-D982 WeakPolarHBondContact O-CB 3.35Å; T978-D982 PolarHBondContact O-N 2.91Å; T979-D982 PolarHBondContact O-N 2.84Å; D982-K986 VanDerWaalsContact O-CB 3.28Å; D982-K986 WeakPolarHBondContact O-CB 3.16Å; D982-K986 WeakPolarHBondContact O-CG 3.19Å; D982-K986 PolarHBondContact O-N 3.22Å
983H68Low63.5Low83 Ų8375.3 Ų75.338%0.38439%0.39SS..Hα-helixtrans-69.5-49.6172.9-131.5-74.7000110.6D937 T979 F985 K986 D987D937-H983 IonicContact OD2-CG 3.48Å; D937-H983 IonicContact OD2-ND1 2.59Å; D937-H983 PolarHBondContact OD2-ND1 3.42Å; T979-H983 WeakPolarHBondContact O-CB 3.46Å; T979-H983 PolarHBondContact O-N 3.32Å; H983-F985 VanDerWaalsContact C-N 3.31Å; H983-F985 PolarHBondContact O-N 2.82Å; H983-K986 WeakPolarHBondContact O-CB 3.34Å; H983-K986 PolarHBondContact O-N 3.43Å; H983-K986 VanDerWaalsContact O-N 3.09Å; H983-D987 IonicContact CE1-OD2 2.92Å; H983-D987 PolarHBondContact CE1-OD2 2.94Å; H983-D987 IonicContact ND1-OD2 3.86Å; H983-D987 PolarHBondContact ND1-OD2 3.27Å; H983-D987 PolarHBondContact O-N 2.88Å
984L64.7Low62.8Low12 Ų1271.2 Ų71.26%0.06337%0.368CS..Hα-helixtrans-54.5-45.4172.6-88.1162.9000112.1I934 D937 A938 L941 S980 T981 L988I934-L984 HydrophobicContact CG2-CD2 4.02Å; D937-L984 HydrophobicContact CB-CD2 4.05Å; D937-L984 HydrophobicContact CB-CG 3.86Å; A938-L984 HydrophobicContact CB-CD2 4.06Å; L941-L984 HydrophobicContact CB-CD1 3.87Å; L941-L984 HydrophobicContact CD2-CD1 3.62Å; L941-L984 HydrophobicContact CG-CD1 4.3Å; S980-L984 WeakPolarHBondContact O-CB 3.32Å; S980-L984 PolarHBondContact O-N 3.48Å; T981-L984 PolarHBondContact O-N 2.98Å; L984-L988 WeakPolarHBondContact O-CB 3.49Å; L984-L988 WeakPolarHBondContact O-CD1 3.33Å; L984-L988 WeakPolarHBondContact O-CG 3.35Å; L984-L988 PolarHBondContact O-N 2.86Å
985F62.8Low62Low63 Ų6373 Ų7328%0.27638%0.375SS..Hα-helixtrans-68.7-36.9175.9-94.6-78.1000112.9T981 H983 N989 S998 H1002T981-F985 HydrophobicContact CG2-CD2 3.88Å; T981-F985 HydrophobicContact CG2-CE2 4.11Å; T981-F985 WeakPolarHBondContact O-CB 3.3Å; T981-F985 WeakPolarHBondContact O-CD2 3.5Å; T981-F985 PolarHBondContact O-N 3.01Å; H983-F985 VanDerWaalsContact C-N 3.31Å; H983-F985 PolarHBondContact O-N 2.82Å; F985-N989 WeakPolarHBondContact O-CB 3.37Å; F985-N989 PolarHBondContact O-N 3.13Å; F985-N989 PolarHBondContact O-ND2 3.46Å; F985-N989 PolarHBondContact O-OD1 2.84Å; F985-S998 WeakPolarHBondContact CE1-OG 3.48Å; F985-H1002 HydrophobicContact CE1-CB 4.46Å; F985-H1002 HydrophobicContact CZ-CB 4.27Å
986K66.7Low61.4Low140 Ų14071.9 Ų71.961%0.60937%0.373SS*.Hα-helixtrans-60-50.4173.9-97.9175.2176.51640111.7D982 H983 N989 K990D982-K986 VanDerWaalsContact O-CB 3.28Å; D982-K986 WeakPolarHBondContact O-CB 3.16Å; D982-K986 WeakPolarHBondContact O-CG 3.19Å; D982-K986 PolarHBondContact O-N 3.22Å; H983-K986 WeakPolarHBondContact O-CB 3.34Å; H983-K986 PolarHBondContact O-N 3.43Å; H983-K986 VanDerWaalsContact O-N 3.09Å; K986-N989 PolarHBondContact O-N 3.19Å; K986-K990 PolarHBondContact O-N 3.48Å
987D59.7Low60.7Low7 Ų774.7 Ų74.74%0.03737%0.372CS..Hα-helixtrans-78.4-31.1-174.7-65.2-46.6000111.4I934 H983 N989 K990I934-D987 HydrophobicContact CD1-CB 3.99Å; I934-D987 WeakPolarHBondContact CD1-O 3.23Å; I934-D987 HydrophobicContact CG1-CB 3.48Å; I934-D987 VanDerWaalsContact CG1-CB 3.48Å; H983-D987 IonicContact CE1-OD2 2.92Å; H983-D987 PolarHBondContact CE1-OD2 2.94Å; H983-D987 IonicContact ND1-OD2 3.86Å; H983-D987 PolarHBondContact ND1-OD2 3.27Å; H983-D987 PolarHBondContact O-N 2.88Å; D987-N989 VanDerWaalsContact C-N 3.33Å; D987-N989 PolarHBondContact O-N 3.37Å; D987-K990 WeakPolarHBondContact O-CB 3.36Å; D987-K990 PolarHBondContact O-N 2.97Å; D987-K990 WeakPolarHBondContact OD1-CE 3.35Å; D987-K990 IonicContact OD1-NZ 2.57Å; D987-K990 PolarHBondContact OD1-NZ 2.87Å
988L58.2Low60.2Low29 Ų2972.6 Ų72.615%0.15237%0.367CS..Hα-helixtrans-60.6-38.9164.3-79.2166.1000112.5L984 K990 L991 L994L984-L988 WeakPolarHBondContact O-CB 3.49Å; L984-L988 WeakPolarHBondContact O-CD1 3.33Å; L984-L988 WeakPolarHBondContact O-CG 3.35Å; L984-L988 PolarHBondContact O-N 2.86Å; L988-K990 PolarHBondContact O-N 2.67Å; L988-L991 PolarHBondContact O-N 2.83Å; L988-L991 VanDerWaalsContact O-N 3.15Å; L988-L994 HydrophobicContact CD2-CD1 3.69Å
989N59.5Low59.6Low83 Ų8375.5 Ų75.544%0.44438%0.377SS..THydrogen-bonded Turntrans-71.5-9.4177.2-72.2-10.9000113.4F985 K986 D987F985-N989 WeakPolarHBondContact O-CB 3.37Å; F985-N989 PolarHBondContact O-N 3.13Å; F985-N989 PolarHBondContact O-ND2 3.46Å; F985-N989 PolarHBondContact O-OD1 2.84Å; K986-N989 PolarHBondContact O-N 3.19Å; D987-N989 VanDerWaalsContact C-N 3.33Å; D987-N989 PolarHBondContact O-N 3.37Å
990K58.2Low59Low100 Ų10075.4 Ų75.444%0.43538%0.376SS..THydrogen-bonded Turntrans-85-23.2169-61.5-180-168.6162.10112.9E930 K986 D987 L988 D992E930-K990 WeakPolarHBondContact OE1-CD 3.49Å; E930-K990 WeakPolarHBondContact OE1-CE 3.34Å; E930-K990 IonicContact OE1-NZ 3.89Å; E930-K990 PolarHBondContact OE1-NZ 3.25Å; E930-K990 VanDerWaalsContact OE2-CD 3.28Å; E930-K990 WeakPolarHBondContact OE2-CD 3.46Å; K986-K990 PolarHBondContact O-N 3.48Å; D987-K990 WeakPolarHBondContact O-CB 3.36Å; D987-K990 PolarHBondContact O-N 2.97Å; D987-K990 WeakPolarHBondContact OD1-CE 3.35Å; D987-K990 IonicContact OD1-NZ 2.57Å; D987-K990 PolarHBondContact OD1-NZ 2.87Å; L988-K990 PolarHBondContact O-N 2.67Å; K990-D992 VanDerWaalsContact C-N 3.28Å; K990-D992 PolarHBondContact O-N 3.38Å
991L54.3Low58.3Low21 Ų2176.6 Ų76.611%0.1138%0.38CS..SBendtrans-75.786.1164.3-79.393.8000108.9I934 L988 I993 L994I934-L991 HydrophobicContact CD1-CD1 3.29Å; L988-L991 PolarHBondContact O-N 2.83Å; L988-L991 VanDerWaalsContact O-N 3.15Å; L991-I993 PolarHBondContact O-N 2.7Å; L991-L994 HydrophobicContact CB-CD1 4.07Å; L991-L994 HydrophobicContact CB-CG 4.36Å; L991-L994 HydrophobicContact CD2-CD1 4.23Å; L991-L994 PolarHBondContact O-N 2.86Å
992D51.1Low57.8Low149 Ų14980 Ų8080%0.79739%0.394SS*.THydrogen-bonded Turntrans-46.2-18.2175-84.6-32000114.6K990K990-D992 VanDerWaalsContact C-N 3.28Å; K990-D992 PolarHBondContact O-N 3.38Å
993I54.6Low57.5Low166 Ų16682.1 Ų82.185%0.85140%0.398SS*.THydrogen-bonded Turntrans-80.8-21179.7-57.3177.2000112.4L991L991-I993 PolarHBondContact O-N 2.7Å
994L52.7Low57.1Low34 Ų3484 Ų8418%0.17841%0.407CS..THydrogen-bonded Turntrans-97.6-17.7-174.5-70.6173.8000114.7L988 L991 I996 R997 S998L988-L994 HydrophobicContact CD2-CD1 3.69Å; L991-L994 HydrophobicContact CB-CD1 4.07Å; L991-L994 HydrophobicContact CB-CG 4.36Å; L991-L994 HydrophobicContact CD2-CD1 4.23Å; L991-L994 PolarHBondContact O-N 2.86Å; L994-I996 PolarHBondContact O-N 3.03Å; L994-R997 PolarHBondContact O-N 3.17Å; L994-R997 VanDerWaalsContact O-N 3.08Å; L994-S998 WeakPolarHBondContact O-CB 3.3Å; L994-S998 PolarHBondContact O-N 3.36Å
995D53.3Low56.2Low63 Ų6384.8 Ų84.834%0.33741%0.413SS..Hα-helixtrans-45.8-56.1-168.9-17949.8000114.5R997 S998 Q999D995-R997 PolarHBondContact O-N 3.5Å; D995-S998 WeakPolarHBondContact O-CB 3.44Å; D995-S998 PolarHBondContact O-N 2.82Å; D995-Q999 VanDerWaalsContact CG-NE2 3.26Å; D995-Q999 WeakPolarHBondContact O-CG 3.23Å; D995-Q999 PolarHBondContact O-N 3.37Å; D995-Q999 PolarHBondContact OD1-NE2 3.5Å; D995-Q999 PolarHBondContact OD2-NE2 3Å; D995-Q999 VanDerWaalsContact OD2-NE2 3.11Å
996I57.5Low55.9Low135 Ų13585.6 Ų85.669%0.69242%0.42SS*.Hα-helixtrans-63.4-38.9-176.6-64.6168.9000112.3L994 T1000L994-I996 PolarHBondContact O-N 3.03Å; I996-T1000 WeakPolarHBondContact O-CB 3.22Å; I996-T1000 PolarHBondContact O-N 3.05Å; I996-T1000 PolarHBondContact O-OG1 2.95Å
997R52.4Low55.7Low133 Ų13383.2 Ų83.250%0.50241%0.414SS..Hα-helixtrans-74-38176.8-73.3-178.576.4-154.5-3.1110.6E905 L994 D995 T1000 L1001E905-R997 VanDerWaalsContact CD-NH2 3.28Å; E905-R997 IonicContact OE1-CZ 2.7Å; E905-R997 IonicContact OE1-NH1 3.92Å; E905-R997 IonicContact OE1-NH2 3.77Å; E905-R997 PolarHBondContact OE1-NH2 2.95Å; E905-R997 IonicContact OE2-CZ 2.96Å; E905-R997 IonicContact OE2-NH1 2.66Å; E905-R997 PolarHBondContact OE2-NH1 3.41Å; E905-R997 IonicContact OE2-NH2 3.62Å; E905-R997 PolarHBondContact OE2-NH2 3Å; L994-R997 PolarHBondContact O-N 3.17Å; L994-R997 VanDerWaalsContact O-N 3.08Å; D995-R997 PolarHBondContact O-N 3.5Å; R997-T1000 PolarHBondContact O-N 3.2Å; R997-L1001 VanDerWaalsContact O-CB 3.28Å; R997-L1001 WeakPolarHBondContact O-CB 3.4Å; R997-L1001 PolarHBondContact O-N 2.95Å
998S54.5Low55.4Low20 Ų2089 Ų8914%0.1444%0.44CS..Hα-helixtrans-59.9-52.4175.9-176.10000112.2F985 L994 D995 T1000 L1001 H1002F985-S998 WeakPolarHBondContact CE1-OG 3.48Å; L994-S998 WeakPolarHBondContact O-CB 3.3Å; L994-S998 PolarHBondContact O-N 3.36Å; D995-S998 WeakPolarHBondContact O-CB 3.44Å; D995-S998 PolarHBondContact O-N 2.82Å; S998-T1000 VanDerWaalsContact C-N 3.35Å; S998-T1000 PolarHBondContact O-N 3.37Å; S998-L1001 PolarHBondContact O-N 3.34Å; S998-H1002 PolarHBondContact O-N 2.88Å
999Q55.9Low55Low116 Ų11690.2 Ų90.254%0.54244%0.444SS..Hα-helixtrans-62.2-40.6178.1-67.7-176.127.400112.4D995 H1002 K1003D995-Q999 VanDerWaalsContact CG-NE2 3.26Å; D995-Q999 WeakPolarHBondContact O-CG 3.23Å; D995-Q999 PolarHBondContact O-N 3.37Å; D995-Q999 PolarHBondContact OD1-NE2 3.5Å; D995-Q999 PolarHBondContact OD2-NE2 3Å; D995-Q999 VanDerWaalsContact OD2-NE2 3.11Å; Q999-H1002 PolarHBondContact O-N 2.76Å; Q999-K1003 WeakPolarHBondContact O-CB 3.5Å; Q999-K1003 PolarHBondContact O-N 3.3Å
1000T56.2Low54.9Low72 Ų7293 Ų9344%0.44245%0.453SS..Hα-helixtrans-62.1-47.6174.8-56.50000110.4I996 R997 S998 H1002 K1003 E1004I996-T1000 WeakPolarHBondContact O-CB 3.22Å; I996-T1000 PolarHBondContact O-N 3.05Å; I996-T1000 PolarHBondContact O-OG1 2.95Å; R997-T1000 PolarHBondContact O-N 3.2Å; S998-T1000 VanDerWaalsContact C-N 3.35Å; S998-T1000 PolarHBondContact O-N 3.37Å; T1000-H1002 PolarHBondContact O-N 3.38Å; T1000-K1003 PolarHBondContact O-N 2.78Å; T1000-E1004 HydrophobicContact CG2-CG 4.46Å; T1000-E1004 PolarHBondContact O-N 3.29Å
1001L52.1Low54.9Low52 Ų5293.9 Ų93.927%0.27246%0.458SS..Hα-helixtrans-64.2-37.5-179.7-158.491.8000112.6W901 R997 S998 C1005W901-L1001 HydrophobicContact CE3-CD1 4.34Å; W901-L1001 HydrophobicContact CE3-CD2 3.91Å; W901-L1001 HydrophobicContact CH2-CD1 3.59Å; W901-L1001 HydrophobicContact CH2-CD2 3.9Å; W901-L1001 HydrophobicContact CH2-CG 4.3Å; W901-L1001 HydrophobicContact CZ2-CD1 3.96Å; W901-L1001 HydrophobicContact CZ3-CD1 3.82Å; W901-L1001 HydrophobicContact CZ3-CD2 3.33Å; W901-L1001 HydrophobicContact CZ3-CG 4.18Å; R997-L1001 VanDerWaalsContact O-CB 3.28Å; R997-L1001 WeakPolarHBondContact O-CB 3.4Å; R997-L1001 PolarHBondContact O-N 2.95Å; S998-L1001 PolarHBondContact O-N 3.34Å; L1001-C1005 WeakPolarHBondContact O-CA 3.49Å; L1001-C1005 WeakPolarHBondContact O-CB 3.42Å; L1001-C1005 PolarHBondContact O-N 3.13Å; L1001-C1005 PolarHBondContact O-SG 2.81Å
1002H52.4Low55Low96 Ų9695.7 Ų95.744%0.44447%0.472SS..Hα-helixtrans-64.4-44176.3-17553.3000111.1F985 S998 Q999 T1000 C1005 I1006F985-H1002 HydrophobicContact CE1-CB 4.46Å; F985-H1002 HydrophobicContact CZ-CB 4.27Å; S998-H1002 PolarHBondContact O-N 2.88Å; Q999-H1002 PolarHBondContact O-N 2.76Å; T1000-H1002 PolarHBondContact O-N 3.38Å; H1002-C1005 PolarHBondContact O-N 3.41Å; H1002-I1006 VanDerWaalsContact CE1-CD1 3.5Å; H1002-I1006 WeakPolarHBondContact CE1-CD1 3.36Å; H1002-I1006 PolarHBondContact O-N 2.8Å
1003K63Low54.8Low151 Ų15192 Ų9266%0.65745%0.452SS*.Hα-helixtrans-66.9-43.7178.9-159.6170.5-170.9172.90112.1Q999 T1000 N1007Q999-K1003 WeakPolarHBondContact O-CB 3.5Å; Q999-K1003 PolarHBondContact O-N 3.3Å; T1000-K1003 PolarHBondContact O-N 2.78Å; K1003-N1007 WeakPolarHBondContact O-CB 3.32Å; K1003-N1007 PolarHBondContact O-N 2.96Å; K1003-N1007 PolarHBondContact O-ND2 3.24Å
1004E59.2Low55Low121 Ų12187.8 Ų87.857%0.56543%0.434SS*.Hα-helixtrans-66.9-36.8171.3-72.1-170.8135.100112T1000 N1007 H1008T1000-E1004 HydrophobicContact CG2-CG 4.46Å; T1000-E1004 PolarHBondContact O-N 3.29Å; E1004-N1007 PolarHBondContact O-N 3.37Å; E1004-H1008 WeakPolarHBondContact O-CA 3.31Å; E1004-H1008 WeakPolarHBondContact O-CB 3.32Å; E1004-H1008 PolarHBondContact O-N 3.4Å
1005C46.3Very low55Low29 Ų2990.9 Ų90.920%0.19645%0.447CS..Hα-helixtrans-64-47.8179.2-83.40000112.1K898 L1001 H1002 F1009K898-C1005 VanDerWaalsContact CE-SG 3.53Å; K898-C1005 PolarHBondContact NZ-SG 3.43Å; L1001-C1005 WeakPolarHBondContact O-CA 3.49Å; L1001-C1005 WeakPolarHBondContact O-CB 3.42Å; L1001-C1005 PolarHBondContact O-N 3.13Å; L1001-C1005 PolarHBondContact O-SG 2.81Å; H1002-C1005 PolarHBondContact O-N 3.41Å; C1005-F1009 WeakPolarHBondContact O-CB 3.44Å; C1005-F1009 PolarHBondContact O-N 3.18Å; C1005-F1009 VanDerWaalsContact O-N 3.09Å
1006I57Low54.8Low80 Ų8092.7 Ų92.741%0.4146%0.457SS..Hα-helixtrans-68.4-46.5176.5-70.2177.9000110.3H1002 H1008 F1009 K1010H1002-I1006 VanDerWaalsContact CE1-CD1 3.5Å; H1002-I1006 WeakPolarHBondContact CE1-CD1 3.36Å; H1002-I1006 PolarHBondContact O-N 2.8Å; I1006-H1008 PolarHBondContact O-N 2.86Å; I1006-F1009 PolarHBondContact O-N 3.02Å; I1006-K1010 WeakPolarHBondContact O-CB 3.06Å; I1006-K1010 PolarHBondContact O-N 3.46Å
1007N60.7Low54.3Low91 Ų9192.6 Ų92.649%0.48745%0.453SS..Hα-helixtrans-61.7-44.1-179.9-77.5-12.6000111.4K1003 E1004 K1010 H1011K1003-N1007 WeakPolarHBondContact O-CB 3.32Å; K1003-N1007 PolarHBondContact O-N 2.96Å; K1003-N1007 PolarHBondContact O-ND2 3.24Å; E1004-N1007 PolarHBondContact O-N 3.37Å; N1007-K1010 PolarHBondContact O-N 3.43Å; N1007-H1011 VanDerWaalsContact O-CB 3.27Å; N1007-H1011 WeakPolarHBondContact O-CB 3.18Å; N1007-H1011 PolarHBondContact O-N 2.92Å
1008H54.8Low54.5Low128 Ų12893 Ų9359%0.59346%0.455SS*.Hα-helixtrans-74.3-26.6-178.6-157.2-42.1000112.6E1004 I1006 S1012E1004-H1008 WeakPolarHBondContact O-CA 3.31Å; E1004-H1008 WeakPolarHBondContact O-CB 3.32Å; E1004-H1008 PolarHBondContact O-N 3.4Å; I1006-H1008 PolarHBondContact O-N 2.86Å; H1008-S1012 VanDerWaalsContact O-CB 3.27Å; H1008-S1012 WeakPolarHBondContact O-CB 3.33Å; H1008-S1012 PolarHBondContact O-N 2.83Å
1009F50.2Low54.5Low54 Ų5496.2 Ų96.224%0.23747%0.47CS..Hα-helixtrans-69.4-49.8169.7-140.7-90.3000110.5L891 L894 C1005 I1006 H1011 S1012 I1013L891-F1009 HydrophobicContact CD2-CE1 4.05Å; L891-F1009 HydrophobicContact CD2-CZ 3.71Å; L891-F1009 HydrophobicContact CG-CE1 4.28Å; L891-F1009 HydrophobicContact CG-CZ 3.75Å; L894-F1009 HydrophobicContact CD2-CD2 3.61Å; L894-F1009 HydrophobicContact CD2-CE2 3.75Å; L894-F1009 HydrophobicContact CG-CE2 4.45Å; C1005-F1009 WeakPolarHBondContact O-CB 3.44Å; C1005-F1009 PolarHBondContact O-N 3.18Å; C1005-F1009 VanDerWaalsContact O-N 3.09Å; I1006-F1009 PolarHBondContact O-N 3.02Å; F1009-H1011 PolarHBondContact O-N 3.16Å; F1009-S1012 PolarHBondContact O-N 3.24Å; F1009-I1013 HydrophobicContact CD1-CD1 3.84Å; F1009-I1013 HydrophobicContact CE1-CD1 4.06Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; F1009-I1013 PolarHBondContact O-N 3.5Å
1010K57.1Low54.2Low143 Ų14396.2 Ų96.262%0.62247%0.473SS*.Hα-helixtrans-59-45.4173.1-80.1-169.9170.9-174.60111.6I1006 N1007 S1012 I1013 V1014I1006-K1010 WeakPolarHBondContact O-CB 3.06Å; I1006-K1010 PolarHBondContact O-N 3.46Å; N1007-K1010 PolarHBondContact O-N 3.43Å; K1010-S1012 PolarHBondContact O-N 3.49Å; K1010-I1013 PolarHBondContact O-N 2.85Å; K1010-V1014 WeakPolarHBondContact O-CB 3.44Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; K1010-V1014 PolarHBondContact O-N 2.79Å
1011H57.1Low54.2Low118 Ų11896.7 Ų96.755%0.54648%0.476SS..Hα-helixtrans-66.5-37.3179.4-121.9-65.4000112N1007 F1009 H1015N1007-H1011 VanDerWaalsContact O-CB 3.27Å; N1007-H1011 WeakPolarHBondContact O-CB 3.18Å; N1007-H1011 PolarHBondContact O-N 2.92Å; F1009-H1011 PolarHBondContact O-N 3.16Å; H1011-H1015 WeakPolarHBondContact O-CA 3.47Å; H1011-H1015 WeakPolarHBondContact O-CB 3.35Å; H1011-H1015 PolarHBondContact O-N 2.57Å
1012S56.2Low54.5Low58 Ų5897.7 Ų97.741%0.40648%0.482SS..Hα-helixtrans-68.5-37.1179.2-1600000112.2H1008 F1009 K1010H1008-S1012 VanDerWaalsContact O-CB 3.27Å; H1008-S1012 WeakPolarHBondContact O-CB 3.33Å; H1008-S1012 PolarHBondContact O-N 2.83Å; F1009-S1012 PolarHBondContact O-N 3.24Å; K1010-S1012 PolarHBondContact O-N 3.49Å
1013I48Very low54.8Low72 Ų7299.2 Ų99.237%0.36949%0.489SS..Hα-helixtrans-71.8-49.2175.3-64.6169.8000110.1F1009 K1010 H1015 H1017F1009-I1013 HydrophobicContact CD1-CD1 3.84Å; F1009-I1013 HydrophobicContact CE1-CD1 4.06Å; F1009-I1013 WeakPolarHBondContact O-CG1 3.49Å; F1009-I1013 PolarHBondContact O-N 3.5Å; K1010-I1013 PolarHBondContact O-N 2.85Å; I1013-H1015 PolarHBondContact O-N 2.91Å; I1013-H1017 PolarHBondContact O-CD2 3.26Å; I1013-H1017 PolarHBondContact O-N 3.39Å
1014V58.8Low54.5Low78 Ų7897.5 Ų97.547%0.47349%0.487SS..Hα-helixtrans-66.2-35.5-179.5171.50000112.1K1010 R1018K1010-V1014 WeakPolarHBondContact O-CB 3.44Å; K1010-V1014 WeakPolarHBondContact O-CG2 3.38Å; K1010-V1014 PolarHBondContact O-N 2.79Å; V1014-R1018 HydrophobicContact CG1-CB 4.42Å; V1014-R1018 WeakPolarHBondContact O-CA 3.37Å; V1014-R1018 WeakPolarHBondContact O-CB 3.49Å; V1014-R1018 PolarHBondContact O-N 2.81Å
1015H52.8Low55.1Low99 Ų9996.9 Ų96.946%0.45848%0.483SS..Hα-helixtrans-72.5-31.9-177.4-167-59.3000112.4H1011 I1013 L1019H1011-H1015 WeakPolarHBondContact O-CA 3.47Å; H1011-H1015 WeakPolarHBondContact O-CB 3.35Å; H1011-H1015 PolarHBondContact O-N 2.57Å; I1013-H1015 PolarHBondContact O-N 2.91Å; H1015-L1019 WeakPolarHBondContact O-CG 3.33Å; H1015-L1019 PolarHBondContact O-N 2.79Å
1016N47.9Very low56.4Low100 Ų100100.4 Ų100.454%0.53550%0.504SS..Hα-helixtrans-70.3-47.7173.5-81.110.5000111.3R1018 L1019N1016-R1018 PolarHBondContact O-N 3.07Å; N1016-L1019 PolarHBondContact O-N 3.43Å
1017H48.1Very low56.8Low133 Ų133102.4 Ų102.462%0.61651%0.512SS*.Hα-helixtrans-60.2-46.4172.9-78-69.7000111.9I1013 L1019 N1020 T1021I1013-H1017 PolarHBondContact O-CD2 3.26Å; I1013-H1017 PolarHBondContact O-N 3.39Å; H1017-L1019 VanDerWaalsContact C-N 3.33Å; H1017-L1019 PolarHBondContact O-N 2.83Å; H1017-N1020 PolarHBondContact O-N 3.14Å; H1017-T1021 PolarHBondContact O-N 3.46Å; H1017-T1021 PolarHBondContact O-OG1 2.94Å
1018R55.6Low57.2Low142 Ų142103.2 Ų103.254%0.53652%0.515SS..Hα-helixtrans-70.9-20.1-175.1-174.4172.2178.2-169.71.3114V1014 N1016 N1022V1014-R1018 HydrophobicContact CG1-CB 4.42Å; V1014-R1018 WeakPolarHBondContact O-CA 3.37Å; V1014-R1018 WeakPolarHBondContact O-CB 3.49Å; V1014-R1018 PolarHBondContact O-N 2.81Å; N1016-R1018 PolarHBondContact O-N 3.07Å; R1018-N1022 VanDerWaalsContact CG-OD1 3.26Å; R1018-N1022 WeakPolarHBondContact CG-OD1 3.45Å; R1018-N1022 PolarHBondContact NE-OD1 3.41Å; R1018-N1022 VanDerWaalsContact NE-OD1 3.15Å; R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 PolarHBondContact O-N 3.49Å; R1018-N1022 PolarHBondContact O-ND2 3.01Å; R1018-N1022 PolarHBondContact O-OD1 3.02Å
1019L54.2Low58.1Low87 Ų87100.2 Ų100.246%0.45550%0.504SS..Hα-helixtrans-62.6-55.8168.9-83.7168.3000109.9H1015 N1016 H1017 T1021 N1022 E1023H1015-L1019 WeakPolarHBondContact O-CG 3.33Å; H1015-L1019 PolarHBondContact O-N 2.79Å; N1016-L1019 PolarHBondContact O-N 3.43Å; H1017-L1019 VanDerWaalsContact C-N 3.33Å; H1017-L1019 PolarHBondContact O-N 2.83Å; L1019-T1021 VanDerWaalsContact C-N 3.32Å; L1019-T1021 PolarHBondContact O-N 3.28Å; L1019-N1022 PolarHBondContact O-N 3.38Å; L1019-E1023 PolarHBondContact O-N 3.45Å
1020N51.5Low59.1Low116 Ų116101.6 Ų101.662%0.6252%0.52SS*.Hα-helixtrans-59.2-40.7175-72.816.8000112.1H1017 L1024H1017-N1020 PolarHBondContact O-N 3.14Å; N1020-L1024 WeakPolarHBondContact O-CG 3.44Å; N1020-L1024 PolarHBondContact O-N 2.81Å; N1020-L1024 VanDerWaalsContact O-N 3.15Å
1021T54.4Low59.5Low83 Ų83100.5 Ų100.551%0.50952%0.521SS..Hα-helixtrans-67-41.9178-24.40000112.5H1017 L1019 H1025H1017-T1021 PolarHBondContact O-N 3.46Å; H1017-T1021 PolarHBondContact O-OG1 2.94Å; L1019-T1021 VanDerWaalsContact C-N 3.32Å; L1019-T1021 PolarHBondContact O-N 3.28Å; T1021-H1025 WeakPolarHBondContact O-CB 3.41Å; T1021-H1025 PolarHBondContact O-N 2.89Å
1022N58.4Low60.3Low73 Ų73100.7 Ų100.739%0.3952%0.52SS..Hα-helixtrans-65.2-39.3179-75.7-11.4000111.1R1018 L1019 H1025 V1026R1018-N1022 VanDerWaalsContact CG-OD1 3.26Å; R1018-N1022 WeakPolarHBondContact CG-OD1 3.45Å; R1018-N1022 PolarHBondContact NE-OD1 3.41Å; R1018-N1022 VanDerWaalsContact NE-OD1 3.15Å; R1018-N1022 WeakPolarHBondContact O-CB 3.48Å; R1018-N1022 PolarHBondContact O-N 3.49Å; R1018-N1022 PolarHBondContact O-ND2 3.01Å; R1018-N1022 PolarHBondContact O-OD1 3.02Å; L1019-N1022 PolarHBondContact O-N 3.38Å; N1022-H1025 PolarHBondContact O-N 3.47Å; N1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; N1022-V1026 PolarHBondContact O-N 3.4Å
1023E60Low61.2Low128 Ų128102.8 Ų102.860%0.59853%0.526SS*.Hα-helixtrans-68.7-43.6-178.5-168.7146.6-148.800111.3L1019 H1025 V1026 Q1027L1019-E1023 PolarHBondContact O-N 3.45Å; E1023-H1025 VanDerWaalsContact C-N 3.32Å; E1023-H1025 PolarHBondContact O-N 3.34Å; E1023-V1026 PolarHBondContact O-N 3.03Å; E1023-Q1027 WeakPolarHBondContact O-CG 3.22Å; E1023-Q1027 PolarHBondContact O-N 3.26Å
1024L56.7Low62.5Low114 Ų114105.1 Ų105.160%0.59754%0.535SS*.Hα-helixtrans-59.9-39.3167.7-72.2170000112.2N1020 Q1027 L1028N1020-L1024 WeakPolarHBondContact O-CG 3.44Å; N1020-L1024 PolarHBondContact O-N 2.81Å; N1020-L1024 VanDerWaalsContact O-N 3.15Å; L1024-Q1027 PolarHBondContact O-N 2.98Å; L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.25Å; L1024-L1028 PolarHBondContact O-N 2.9Å
1025H70.4Confident62.8Low108 Ų108104.9 Ų104.950%0.554%0.536SS..Hα-helixtrans-67.7-35.4177.9-140.471.9000112.6T1021 N1022 E1023 L1028 D1029T1021-H1025 WeakPolarHBondContact O-CB 3.41Å; T1021-H1025 PolarHBondContact O-N 2.89Å; N1022-H1025 PolarHBondContact O-N 3.47Å; E1023-H1025 VanDerWaalsContact C-N 3.32Å; E1023-H1025 PolarHBondContact O-N 3.34Å; H1025-L1028 PolarHBondContact O-N 2.82Å; H1025-D1029 WeakPolarHBondContact O-CB 3.37Å; H1025-D1029 PolarHBondContact O-N 2.78Å
1026V75.3Confident63.9Low104 Ų104104 Ų10463%0.6354%0.535SS*.Hα-helixtrans-69.2-39.2175167.60000111.1N1022 E1023 S1030N1022-V1026 WeakPolarHBondContact O-CG2 3.41Å; N1022-V1026 PolarHBondContact O-N 3.4Å; E1023-V1026 PolarHBondContact O-N 3.03Å; V1026-S1030 VanDerWaalsContact O-CB 3.3Å; V1026-S1030 WeakPolarHBondContact O-CB 3.23Å; V1026-S1030 PolarHBondContact O-N 2.75Å
1027Q65.3Low65.1Low121 Ų121104.2 Ų104.257%0.56553%0.533SS*.Hα-helixtrans-64.6-43.3171.9-69.11794.700111.4E1023 L1024 S1030 L1031E1023-Q1027 WeakPolarHBondContact O-CG 3.22Å; E1023-Q1027 PolarHBondContact O-N 3.26Å; L1024-Q1027 PolarHBondContact O-N 2.98Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.46Å; Q1027-S1030 PolarHBondContact O-N 3.31Å; Q1027-L1031 PolarHBondContact O-N 2.87Å
1028L69.3Low66Low108 Ų108102.2 Ų102.257%0.56553%0.526SS*.Hα-helixtrans-64.9-44.6177.9-163.776.3000112.3L1024 H1025 S1030 L1031 K1032L1024-L1028 VanDerWaalsContact O-CB 3.3Å; L1024-L1028 WeakPolarHBondContact O-CB 3.25Å; L1024-L1028 PolarHBondContact O-N 2.9Å; H1025-L1028 PolarHBondContact O-N 2.82Å; L1028-S1030 VanDerWaalsContact C-N 3.31Å; L1028-S1030 PolarHBondContact O-N 3.42Å; L1028-L1031 PolarHBondContact O-N 2.79Å; L1028-K1032 WeakPolarHBondContact O-CB 3.42Å; L1028-K1032 PolarHBondContact O-N 3.41Å
1029D73.2Confident66.9Low65 Ų6599.7 Ų99.735%0.34852%0.523SS..Hα-helixtrans-66.9-31.5174-90.3-22.5000111.7H1025 N1033H1025-D1029 WeakPolarHBondContact O-CB 3.37Å; H1025-D1029 PolarHBondContact O-N 2.78Å; D1029-N1033 VanDerWaalsContact O-CB 3.27Å; D1029-N1033 WeakPolarHBondContact O-CB 3.27Å; D1029-N1033 PolarHBondContact O-N 3.05Å; D1029-N1033 PolarHBondContact O-ND2 3.49Å
1030S71.6Confident67.9Low83 Ų8399 Ų9958%0.5853%0.526SS*.Hα-helixtrans-64.6-46.8171.9-170.50000111.5V1026 Q1027 L1028 N1033 H1034V1026-S1030 VanDerWaalsContact O-CB 3.3Å; V1026-S1030 WeakPolarHBondContact O-CB 3.23Å; V1026-S1030 PolarHBondContact O-N 2.75Å; Q1027-S1030 WeakPolarHBondContact O-CB 3.46Å; Q1027-S1030 PolarHBondContact O-N 3.31Å; L1028-S1030 VanDerWaalsContact C-N 3.31Å; L1028-S1030 PolarHBondContact O-N 3.42Å; S1030-N1033 PolarHBondContact O-N 2.72Å; S1030-H1034 PolarHBondContact O-N 2.91Å
1031L63.7Low68.9Low121 Ų12198.6 Ų98.663%0.63452%0.52SS*.Hα-helixtrans-61.6-47175.3-127.885.7000111.2Q1027 L1028 N1033 H1034 C1035Q1027-L1031 PolarHBondContact O-N 2.87Å; L1028-L1031 PolarHBondContact O-N 2.79Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; L1031-N1033 PolarHBondContact O-N 2.9Å; L1031-H1034 WeakPolarHBondContact O-CA 3.48Å; L1031-H1034 WeakPolarHBondContact O-CB 3.26Å; L1031-H1034 PolarHBondContact O-N 3.25Å; L1031-C1035 PolarHBondContact O-N 2.78Å; L1031-C1035 PolarHBondContact O-SG 2.82Å; L1031-C1035 VanDerWaalsContact O-SG 3.4Å
1032K74.7Confident69.4Low122 Ų12299.2 Ų99.253%0.5352%0.52SS..Hα-helixtrans-61.4-40.4179.4-174.6177.1-177.9179.40112.4L1028 C1035 N1036L1028-K1032 WeakPolarHBondContact O-CB 3.42Å; L1028-K1032 PolarHBondContact O-N 3.41Å; K1032-C1035 PolarHBondContact O-N 2.99Å; K1032-N1036 WeakPolarHBondContact O-CB 3.29Å; K1032-N1036 PolarHBondContact O-N 2.63Å; K1032-N1036 PolarHBondContact O-ND2 2.67Å; K1032-N1036 VanDerWaalsContact O-ND2 3.16Å
1033N76.1Confident70Confident101 Ų10199.8 Ų99.854%0.5452%0.522SS..Hα-helixtrans-66.7-36.6172.8-75-45.6000111.9D1029 S1030 L1031 N1036 E1037D1029-N1033 VanDerWaalsContact O-CB 3.27Å; D1029-N1033 WeakPolarHBondContact O-CB 3.27Å; D1029-N1033 PolarHBondContact O-N 3.05Å; D1029-N1033 PolarHBondContact O-ND2 3.49Å; S1030-N1033 PolarHBondContact O-N 2.72Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; L1031-N1033 PolarHBondContact O-N 2.9Å; N1033-N1036 PolarHBondContact O-N 2.76Å; N1033-E1037 WeakPolarHBondContact O-CB 3.45Å; N1033-E1037 PolarHBondContact O-N 2.78Å
1034H74.4Confident70.6Confident121 Ų12198.4 Ų98.456%0.5652%0.516SS*.Hα-helixtrans-65.5-42.2173.9-167.258.4000112.5S1030 L1031 E1037 L1038S1030-H1034 PolarHBondContact O-N 2.91Å; L1031-H1034 WeakPolarHBondContact O-CA 3.48Å; L1031-H1034 WeakPolarHBondContact O-CB 3.26Å; L1031-H1034 PolarHBondContact O-N 3.25Å; H1034-E1037 PolarHBondContact O-N 3.03Å; H1034-L1038 WeakPolarHBondContact O-CG 3.32Å; H1034-L1038 PolarHBondContact O-N 2.97Å
1035C64.3Low70.7Confident73 Ų7395.5 Ų95.549%0.49351%0.508SS..Hα-helixtrans-63.8-40.1172.5-64.50000112.4L1031 K1032 L1038 N1039L1031-C1035 PolarHBondContact O-N 2.78Å; L1031-C1035 PolarHBondContact O-SG 2.82Å; L1031-C1035 VanDerWaalsContact O-SG 3.4Å; K1032-C1035 PolarHBondContact O-N 2.99Å; C1035-L1038 PolarHBondContact O-N 3.44Å; C1035-N1039 VanDerWaalsContact O-CB 3.31Å; C1035-N1039 WeakPolarHBondContact O-CB 3.31Å; C1035-N1039 PolarHBondContact O-N 2.86Å
1036N75.9Confident70Confident81 Ų8195.9 Ų95.943%0.43351%0.51SS..Hα-helixtrans-65.4-38.4175.7-72.4-26.8000112.4K1032 N1033 S1040K1032-N1036 WeakPolarHBondContact O-CB 3.29Å; K1032-N1036 PolarHBondContact O-N 2.63Å; K1032-N1036 PolarHBondContact O-ND2 2.67Å; K1032-N1036 VanDerWaalsContact O-ND2 3.16Å; N1033-N1036 PolarHBondContact O-N 2.76Å; N1036-S1040 WeakPolarHBondContact O-CB 3.48Å; N1036-S1040 PolarHBondContact O-N 3.5Å; N1036-S1040 PolarHBondContact O-OG 3.37Å
1037E74.9Confident69.8Low105 Ų10594.6 Ų94.649%0.49150%0.499SS..Hα-helixtrans-63.1-50.6174.9-177.964.9-136.200110.6N1033 H1034 N1039 S1040 Q1041N1033-E1037 WeakPolarHBondContact O-CB 3.45Å; N1033-E1037 PolarHBondContact O-N 2.78Å; H1034-E1037 PolarHBondContact O-N 3.03Å; E1037-N1039 PolarHBondContact O-N 2.91Å; E1037-S1040 WeakPolarHBondContact O-CB 3.37Å; E1037-S1040 PolarHBondContact O-N 3.35Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.28Å; E1037-Q1041 PolarHBondContact O-N 2.76Å; E1037-Q1041 PolarHBondContact OE1-NE2 3.47Å
1038L67Low69.5Low91 Ų9192.6 Ų92.648%0.47649%0.493SS..Hα-helixtrans-59-44.1175.6-75.8166.2000112.7H1034 C1035 S1040 Q1041 L1042H1034-L1038 WeakPolarHBondContact O-CG 3.32Å; H1034-L1038 PolarHBondContact O-N 2.97Å; C1035-L1038 PolarHBondContact O-N 3.44Å; L1038-S1040 VanDerWaalsContact C-N 3.34Å; L1038-S1040 PolarHBondContact O-N 2.84Å; L1038-Q1041 PolarHBondContact O-N 2.77Å; L1038-L1042 PolarHBondContact O-N 2.91Å
1039N73.9Confident68.6Low89 Ų8993.9 Ų93.948%0.47650%0.5SS..Hα-helixtrans-66.5-36.5178-164.212.9000111.8C1035 E1037 L1042 I1043C1035-N1039 VanDerWaalsContact O-CB 3.31Å; C1035-N1039 WeakPolarHBondContact O-CB 3.31Å; C1035-N1039 PolarHBondContact O-N 2.86Å; E1037-N1039 PolarHBondContact O-N 2.91Å; N1039-L1042 PolarHBondContact O-N 3.5Å; N1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; N1039-I1043 PolarHBondContact O-N 2.81Å
1040S75.3Confident67.6Low73 Ų7398.2 Ų98.251%0.5152%0.518SS..Hα-helixtrans-64.9-40.1174.2-59.50000112N1036 E1037 L1038 I1043 Q1044N1036-S1040 WeakPolarHBondContact O-CB 3.48Å; N1036-S1040 PolarHBondContact O-N 3.5Å; N1036-S1040 PolarHBondContact O-OG 3.37Å; E1037-S1040 WeakPolarHBondContact O-CB 3.37Å; E1037-S1040 PolarHBondContact O-N 3.35Å; L1038-S1040 VanDerWaalsContact C-N 3.34Å; L1038-S1040 PolarHBondContact O-N 2.84Å; S1040-I1043 PolarHBondContact O-N 3.05Å; S1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; S1040-Q1044 PolarHBondContact O-N 2.85Å
1041Q71.8Confident66.9Low107 Ų107100.9 Ų100.950%0.552%0.519SS..Hα-helixtrans-66.3-38.3175.2-68.3175.923.500111.8E1037 L1038 Q1044 A1045E1037-Q1041 WeakPolarHBondContact O-CG 3.28Å; E1037-Q1041 PolarHBondContact O-N 2.76Å; E1037-Q1041 PolarHBondContact OE1-NE2 3.47Å; L1038-Q1041 PolarHBondContact O-N 2.77Å; Q1041-Q1044 PolarHBondContact O-N 3.47Å; Q1041-A1045 WeakPolarHBondContact O-CB 3.42Å; Q1041-A1045 PolarHBondContact O-N 3.3Å
1042L64.8Low66Low96 Ų96103 Ų10350%0.50353%0.531SS..Hα-helixtrans-63.5-46.6174.3-176.564.3000112.3L1038 N1039 Q1044 A1045 Q1046L1038-L1042 PolarHBondContact O-N 2.91Å; N1039-L1042 PolarHBondContact O-N 3.5Å; L1042-Q1044 VanDerWaalsContact C-N 3.33Å; L1042-Q1044 PolarHBondContact O-N 3.21Å; L1042-A1045 PolarHBondContact O-N 2.91Å; L1042-Q1046 WeakPolarHBondContact O-CG 3.46Å; L1042-Q1046 PolarHBondContact O-N 3.29Å
1043I72.4Confident64.2Low84 Ų84101.5 Ų101.543%0.43154%0.54SS..Hα-helixtrans-61.9-41.5177.9-69.9167.1000110.9N1039 S1040 Q1046 L1047N1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; N1039-I1043 PolarHBondContact O-N 2.81Å; S1040-I1043 PolarHBondContact O-N 3.05Å; I1043-Q1046 PolarHBondContact O-N 3.29Å; I1043-L1047 HydrophobicContact CG2-CD1 4.3Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 PolarHBondContact O-N 3.17Å
1044Q72.1Confident62.4Low99 Ų99101.4 Ų101.446%0.46355%0.554SS.*Hα-helixtrans-63.3-44.3176.4-174.360.739.200111.6S1040 Q1041 L1042 Q1046 L1047 D1048S1040-Q1044 WeakPolarHBondContact O-CB 3.46Å; S1040-Q1044 PolarHBondContact O-N 2.85Å; Q1041-Q1044 PolarHBondContact O-N 3.47Å; L1042-Q1044 VanDerWaalsContact C-N 3.33Å; L1042-Q1044 PolarHBondContact O-N 3.21Å; Q1044-Q1046 VanDerWaalsContact C-N 3.29Å; Q1044-Q1046 PolarHBondContact O-N 3.23Å; Q1044-L1047 PolarHBondContact O-N 2.9Å; Q1044-D1048 PolarHBondContact NE2-OD1 3.48Å; Q1044-D1048 PolarHBondContact NE2-OD2 2.95Å; Q1044-D1048 PolarHBondContact O-N 3.42Å
1045A58.8Low60.7Low53 Ų53103.1 Ų103.144%0.43857%0.567SS.*Hα-helixtrans-62.1-33.5176.400000113Q1041 L1042 N1049Q1041-A1045 WeakPolarHBondContact O-CB 3.42Å; Q1041-A1045 PolarHBondContact O-N 3.3Å; L1042-A1045 PolarHBondContact O-N 2.91Å; A1045-N1049 PolarHBondContact O-N 3.38Å; A1045-N1049 PolarHBondContact O-ND2 3.42Å
1046Q55.8Low59.4Low116 Ų116107.5 Ų107.554%0.54258%0.58SS.*Hα-helixtrans-72.1-41.5173.6-71.1178.2-10.900112.4L1042 I1043 Q1044 D1048 N1049 Q1050L1042-Q1046 WeakPolarHBondContact O-CG 3.46Å; L1042-Q1046 PolarHBondContact O-N 3.29Å; I1043-Q1046 PolarHBondContact O-N 3.29Å; Q1044-Q1046 VanDerWaalsContact C-N 3.29Å; Q1044-Q1046 PolarHBondContact O-N 3.23Å; Q1046-D1048 PolarHBondContact O-N 2.79Å; Q1046-N1049 PolarHBondContact O-N 2.99Å; Q1046-Q1050 PolarHBondContact O-N 2.94Å
1047L70.7Confident57.7Low78 Ų78112.2 Ų112.241%0.40860%0.597SS.*Hα-helixtrans-67-34.9-179.3-107.7160.6000113.6I1043 Q1044 Q1050I1043-L1047 HydrophobicContact CG2-CD1 4.3Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 PolarHBondContact O-N 3.17Å; Q1044-L1047 PolarHBondContact O-N 2.9Å; L1047-Q1050 PolarHBondContact O-N 3.02Å
1048D59.2Low56.1Low79 Ų79112.1 Ų112.142%0.42261%0.608SS.*Hα-helixtrans-78.8-24.9178.9-69.3-23.3000112.7Q1044 Q1046 K1051Q1044-D1048 PolarHBondContact NE2-OD1 3.48Å; Q1044-D1048 PolarHBondContact NE2-OD2 2.95Å; Q1044-D1048 PolarHBondContact O-N 3.42Å; Q1046-D1048 PolarHBondContact O-N 2.79Å; D1048-K1051 IonicContact OD1-NZ 2.71Å; D1048-K1051 PolarHBondContact OD1-NZ 3.26Å
1049N49.7Very low54.8Low134 Ų134113.2 Ų113.272%0.71762%0.618SS**Hα-helixtrans-69.6-29.7169.7-86-69.7000113.2A1045 Q1046A1045-N1049 PolarHBondContact O-N 3.38Å; A1045-N1049 PolarHBondContact O-ND2 3.42Å; Q1046-N1049 PolarHBondContact O-N 2.99Å
1050Q53.4Low53.2Low157 Ų157115.7 Ų115.773%0.73463%0.632SS**Hα-helixtrans-80.1-20.8-179.8-71-172-2.500114.4Q1046 L1047 L1052Q1046-Q1050 PolarHBondContact O-N 2.94Å; L1047-Q1050 PolarHBondContact O-N 3.02Å; Q1050-L1052 VanDerWaalsContact C-N 3.34Å; Q1050-L1052 PolarHBondContact O-N 2.88Å
1051K55.1Low51.7Low139 Ų139120.6 Ų120.660%0.60465%0.647SS**THydrogen-bonded Turntrans-79.9-5.9-173.1-76.9172.1-170154.40115.6D1048D1048-K1051 IonicContact OD1-NZ 2.71Å; D1048-K1051 PolarHBondContact OD1-NZ 3.26Å
1052L44.8Very low50.4Low166 Ų166125.5 Ų125.587%0.86967%0.666SS**THydrogen-bonded Turntrans-88.6-1-173.6-124.486.2000115.3Q1050Q1050-L1052 VanDerWaalsContact C-N 3.34Å; Q1050-L1052 PolarHBondContact O-N 2.88Å
1053A37.6Very low49.4Very low89 Ų89127.8 Ų127.874%0.73667%0.673SS**SBendtrans-115.1-12-154.200000118.5
1054A39Very low48.3Very low100 Ų100131.1 Ų131.183%0.82669%0.691SS**  trans-152.4102.7-170.200000115.9
1055D37.5Very low47.4Very low157 Ų157129.4 Ų129.484%0.8469%0.69SS**  trans-162.290.7169.6-159.83.2000114.3
1056Q38.3Very low47.3Very low164 Ų164131.4 Ų131.477%0.76669%0.692SS**  trans-169.799162.1-152.283.969.700117.7
1057K40.6Very low46.9Very low181 Ų181134 Ų13479%0.78771%0.705SS**  trans58.2167.7146.1-68.6-167.3170.7-172.60121
1058S40.5Very low46.2Very low103 Ų103131.2 Ų131.272%0.7269%0.694SS**  cis-153.8167.46.7-149.60000113.7
1059T40.1Very low46.1Very low113 Ų113129.6 Ų129.669%0.69369%0.689SS**  trans-125.6166160.950.80000111.6
1060D39.1Very low46.2Very low142 Ų142128.9 Ų128.976%0.75969%0.685SS**  165.8139.3122.1-78.6-3.8000116.1
1061E45.5Very low46.6Very low176 Ų176127 Ų12782%0.82268%0.678SS**  trans12.9131.7150-49.5-171.5157.300121
1062K44.6Very low46.8Very low209 Ų209124 Ų12491%0.90967%0.665SS**  cis74.358.811.7-106.6-171.8-172.5-1780118.7
1063F43.4Very low47.6Very low145 Ų145117.5 Ų117.564%0.63664%0.636SS**  trans-149.7-56.7155-150.1-123.8000115.8S1065 I1066F1063-S1065 PolarHBondContact O-N 3.45Å; F1063-I1066 HydrophobicContact CD1-CD1 3.92Å; F1063-I1066 HydrophobicContact CE1-CD1 3.57Å; F1063-I1066 HydrophobicContact CE2-CD1 4.45Å; F1063-I1066 HydrophobicContact CZ-CD1 3.85Å
1064N48.2Very low49.1Very low153 Ų153118 Ų11882%0.81863%0.626SS**SBendtrans-84.860-150.9-69.8-44.9000117.9
1065S53.8Low50.6Low63 Ų63118.2 Ų118.244%0.44161%0.61SS.*  trans-151.190144-1800000108F1063 G1068 S1069 K1072F1063-S1065 PolarHBondContact O-N 3.45Å; S1065-G1068 CarbonylContact O-C 3.56Å; S1065-G1068 VanDerWaalsContact O-CA 3.27Å; S1065-G1068 WeakPolarHBondContact O-CA 3.47Å; S1065-G1068 PolarHBondContact O-N 2.74Å; S1065-G1068 WeakPolarHBondContact OG-CA 3.3Å; S1065-G1068 PolarHBondContact OG-N 2.8Å; S1065-S1069 PolarHBondContact O-N 3.44Å; S1065-S1069 PolarHBondContact O-OG 3.09Å; S1065-K1072 PolarHBondContact O-NZ 3.04Å
1066I55.4Low52Low96 Ų96113.5 Ų113.549%0.49259%0.587SS.*SBendtrans-88.9-25.4-167.9-66174000112.6F1063 S1069 L1070F1063-I1066 HydrophobicContact CD1-CD1 3.92Å; F1063-I1066 HydrophobicContact CE1-CD1 3.57Å; F1063-I1066 HydrophobicContact CE2-CD1 4.45Å; F1063-I1066 HydrophobicContact CZ-CD1 3.85Å; I1066-S1069 CarbonylContact O-C 3.51Å; I1066-S1069 WeakPolarHBondContact O-CA 3.28Å; I1066-S1069 WeakPolarHBondContact O-CB 3.39Å; I1066-S1069 PolarHBondContact O-N 3.41Å; I1066-L1070 PolarHBondContact O-N 3.21Å; I1066-L1070 VanDerWaalsContact O-N 3.12Å
1067E47.6Very low53.6Low171 Ų171109.6 Ų109.680%0.79957%0.57SS**SBendtrans-69.1-40.8159.8179174.1-14700110.3S1069 L1070 I1071E1067-S1069 PolarHBondContact O-N 2.87Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å; E1067-L1070 PolarHBondContact O-N 2.77Å; E1067-I1071 PolarHBondContact O-N 3.47Å
1068G57.8Low55.3Low18 Ų18105.4 Ų105.419%0.18656%0.557CS.*Hα-helixtrans-54.5-22.1159.500000112.7S1065 K1072S1065-G1068 CarbonylContact O-C 3.56Å; S1065-G1068 VanDerWaalsContact O-CA 3.27Å; S1065-G1068 WeakPolarHBondContact O-CA 3.47Å; S1065-G1068 PolarHBondContact O-N 2.74Å; S1065-G1068 WeakPolarHBondContact OG-CA 3.3Å; S1065-G1068 PolarHBondContact OG-N 2.8Å; G1068-K1072 WeakPolarHBondContact O-CA 3.39Å; G1068-K1072 WeakPolarHBondContact O-CB 3.42Å; G1068-K1072 WeakPolarHBondContact O-CD 3.08Å; G1068-K1072 VanDerWaalsContact O-CE 3.25Å; G1068-K1072 WeakPolarHBondContact O-CE 3.46Å; G1068-K1072 WeakPolarHBondContact O-CG 3.17Å; G1068-K1072 PolarHBondContact O-N 3.18Å
1069S56.1Low56.9Low46 Ų46105.2 Ų105.232%0.32254%0.544SS..Hα-helixtrans-96.912.8172.3-520000114.3S1065 I1066 E1067 K1072 A1073S1065-S1069 PolarHBondContact O-N 3.44Å; S1065-S1069 PolarHBondContact O-OG 3.09Å; I1066-S1069 CarbonylContact O-C 3.51Å; I1066-S1069 WeakPolarHBondContact O-CA 3.28Å; I1066-S1069 WeakPolarHBondContact O-CB 3.39Å; I1066-S1069 PolarHBondContact O-N 3.41Å; E1067-S1069 PolarHBondContact O-N 2.87Å; E1067-S1069 VanDerWaalsContact O-N 3.12Å; S1069-K1072 CarbonylContact O-C 3.54Å; S1069-A1073 VanDerWaalsContact C-N 3.34Å; S1069-A1073 WeakPolarHBondContact O-CA 3.49Å; S1069-A1073 VanDerWaalsContact O-CB 3.29Å; S1069-A1073 WeakPolarHBondContact O-CB 3.27Å; S1069-A1073 PolarHBondContact O-N 2.93Å
1070L50.8Low58.5Low118 Ų118105 Ų10562%0.61854%0.538SS*.Hα-helixtrans-100.1-36.2158.5-129.7170.1000110.1I1066 E1067 A1073 N1074I1066-L1070 PolarHBondContact O-N 3.21Å; I1066-L1070 VanDerWaalsContact O-N 3.12Å; E1067-L1070 PolarHBondContact O-N 2.77Å; L1070-A1073 VanDerWaalsContact C-N 3.27Å; L1070-A1073 HydrophobicContact CD2-CB 4.19Å; L1070-A1073 HydrophobicContact CG-CB 4.46Å; L1070-A1073 WeakPolarHBondContact O-CA 3.41Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 3.26Å; L1070-N1074 PolarHBondContact O-N 3.29Å; L1070-N1074 VanDerWaalsContact O-N 3.16Å
1071I63.1Low60.4Low117 Ų117103.6 Ų103.660%0.653%0.526SS*.Hα-helixtrans-65.4-45.6160.7-67.5180000109.9E1067 A1073 N1074 Q1075E1067-I1071 PolarHBondContact O-N 3.47Å; I1071-A1073 PolarHBondContact O-N 2.71Å; I1071-N1074 PolarHBondContact O-N 2.93Å; I1071-Q1075 HydrophobicContact CG2-CG 4.39Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.27Å; I1071-Q1075 PolarHBondContact O-N 2.94Å
1072K59.9Low62.1Low77 Ų77103.5 Ų103.534%0.33552%0.518SS..Hα-helixtrans-75.77.1162.1-36.1138.1-158.5159.80114.3S1065 G1068 S1069 T1076S1065-K1072 PolarHBondContact O-NZ 3.04Å; G1068-K1072 WeakPolarHBondContact O-CA 3.39Å; G1068-K1072 WeakPolarHBondContact O-CB 3.42Å; G1068-K1072 WeakPolarHBondContact O-CD 3.08Å; G1068-K1072 VanDerWaalsContact O-CE 3.25Å; G1068-K1072 WeakPolarHBondContact O-CE 3.46Å; G1068-K1072 WeakPolarHBondContact O-CG 3.17Å; G1068-K1072 PolarHBondContact O-N 3.18Å; S1069-K1072 CarbonylContact O-C 3.54Å; K1072-T1076 HydrophobicContact CB-CG2 4.26Å; K1072-T1076 WeakPolarHBondContact O-CA 3.19Å; K1072-T1076 WeakPolarHBondContact O-CB 3.48Å; K1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; K1072-T1076 PolarHBondContact O-N 3.08Å; K1072-T1076 PolarHBondContact O-OG1 3.25Å
1073A61.2Low63.6Low30 Ų3097.1 Ų97.125%0.24849%0.494CS..Hα-helixtrans-78.3-44.8159.200000108.2S1069 L1070 I1071 T1076 I1077S1069-A1073 VanDerWaalsContact C-N 3.34Å; S1069-A1073 WeakPolarHBondContact O-CA 3.49Å; S1069-A1073 VanDerWaalsContact O-CB 3.29Å; S1069-A1073 WeakPolarHBondContact O-CB 3.27Å; S1069-A1073 PolarHBondContact O-N 2.93Å; L1070-A1073 VanDerWaalsContact C-N 3.27Å; L1070-A1073 HydrophobicContact CD2-CB 4.19Å; L1070-A1073 HydrophobicContact CG-CB 4.46Å; L1070-A1073 WeakPolarHBondContact O-CA 3.41Å; L1070-A1073 WeakPolarHBondContact O-CB 3.49Å; L1070-A1073 PolarHBondContact O-N 3.26Å; I1071-A1073 PolarHBondContact O-N 2.71Å; A1073-T1076 CarbonylContact O-C 3.56Å; A1073-T1076 PolarHBondContact O-N 2.8Å; A1073-T1076 PolarHBondContact O-OG1 3.31Å; A1073-I1077 WeakPolarHBondContact O-CB 3.28Å; A1073-I1077 WeakPolarHBondContact O-CD1 3.33Å; A1073-I1077 WeakPolarHBondContact O-CG1 3.29Å; A1073-I1077 PolarHBondContact O-N 2.89Å
1074N68.5Low65.3Low100 Ų10095 Ų9554%0.53549%0.486SS..Hα-helixtrans-72.2-40.8174.1-68.8-34.8000112.1L1070 I1071 I1077 D1078L1070-N1074 PolarHBondContact O-N 3.29Å; L1070-N1074 VanDerWaalsContact O-N 3.16Å; I1071-N1074 PolarHBondContact O-N 2.93Å; N1074-I1077 PolarHBondContact O-N 3.48Å; N1074-I1077 VanDerWaalsContact O-N 3.14Å; N1074-D1078 PolarHBondContact O-N 2.97Å
1075Q70.5Confident66.8Low103 Ų10391.2 Ų91.248%0.48147%0.471SS..Hα-helixtrans-69.5-31.7170.8-55167.7-47.700111.8I1071 D1078 E1079I1071-Q1075 HydrophobicContact CG2-CG 4.39Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.27Å; I1071-Q1075 PolarHBondContact O-N 2.94Å; Q1075-D1078 PolarHBondContact O-N 3.01Å; Q1075-E1079 WeakPolarHBondContact O-CA 3.2Å; Q1075-E1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-E1079 WeakPolarHBondContact O-CG 3.41Å; Q1075-E1079 PolarHBondContact O-N 2.92Å
1076T66.3Low68Low58 Ų5891.2 Ų91.236%0.35647%0.465SS..Hα-helixtrans-75.4-19.8166.8620000113.4K1072 A1073 L1080K1072-T1076 HydrophobicContact CB-CG2 4.26Å; K1072-T1076 WeakPolarHBondContact O-CA 3.19Å; K1072-T1076 WeakPolarHBondContact O-CB 3.48Å; K1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; K1072-T1076 PolarHBondContact O-N 3.08Å; K1072-T1076 PolarHBondContact O-OG1 3.25Å; A1073-T1076 CarbonylContact O-C 3.56Å; A1073-T1076 PolarHBondContact O-N 2.8Å; A1073-T1076 PolarHBondContact O-OG1 3.31Å; T1076-L1080 WeakPolarHBondContact O-CA 3.31Å; T1076-L1080 WeakPolarHBondContact O-CB 3.49Å; T1076-L1080 VanDerWaalsContact O-CD1 3.3Å; T1076-L1080 WeakPolarHBondContact O-CD1 3.47Å; T1076-L1080 WeakPolarHBondContact O-CG 3.49Å; T1076-L1080 PolarHBondContact O-N 2.78Å
1077I71.6Confident69.1Low82 Ų8291.1 Ų91.142%0.42147%0.465SS..Hα-helixtrans-72.3-40.4169.1-77.5162.4000110.2A1073 N1074 L1080 K1081A1073-I1077 WeakPolarHBondContact O-CB 3.28Å; A1073-I1077 WeakPolarHBondContact O-CD1 3.33Å; A1073-I1077 WeakPolarHBondContact O-CG1 3.29Å; A1073-I1077 PolarHBondContact O-N 2.89Å; N1074-I1077 PolarHBondContact O-N 3.48Å; N1074-I1077 VanDerWaalsContact O-N 3.14Å; I1077-L1080 PolarHBondContact O-N 2.96Å; I1077-K1081 VanDerWaalsContact O-CG 3.31Å; I1077-K1081 WeakPolarHBondContact O-CG 3.3Å; I1077-K1081 PolarHBondContact O-N 2.99Å
1078D77.8Confident70.7Confident93 Ų9388.8 Ų88.850%0.49745%0.452SS..Hα-helixtrans-80.8-30.9177.5-70-25.9000112.7N1074 Q1075 K1081 R1082N1074-D1078 PolarHBondContact O-N 2.97Å; Q1075-D1078 PolarHBondContact O-N 3.01Å; D1078-K1081 IonicContact OD1-NZ 2.72Å; D1078-K1081 PolarHBondContact OD1-NZ 3.23Å; D1078-R1082 VanDerWaalsContact O-CB 3.26Å; D1078-R1082 WeakPolarHBondContact O-CB 3.46Å; D1078-R1082 PolarHBondContact O-N 3.43Å
1079E74.7Confident71.9Confident99 Ų9993 Ų9346%0.46347%0.468SS..Hα-helixtrans-70.6-29.4163.3-70.3169.4175.200111.1Q1075 R1082 N1083Q1075-E1079 WeakPolarHBondContact O-CA 3.2Å; Q1075-E1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-E1079 WeakPolarHBondContact O-CG 3.41Å; Q1075-E1079 PolarHBondContact O-N 2.92Å; E1079-R1082 CarbonylContact O-C 3.58Å; E1079-R1082 PolarHBondContact O-N 3.15Å; E1079-N1083 WeakPolarHBondContact O-CA 3.5Å; E1079-N1083 WeakPolarHBondContact O-CB 3.17Å; E1079-N1083 PolarHBondContact O-N 2.7Å; E1079-N1083 PolarHBondContact O-ND2 3.24Å; E1079-N1083 VanDerWaalsContact O-ND2 3.12Å; E1079-N1083 PolarHBondContact O-OD1 3.32Å
1080L71.7Confident73.2Confident108 Ų10894.7 Ų94.757%0.56547%0.473SS*.Hα-helixtrans-74-35.1171.9-81.3165.4000110.7T1076 I1077 N1083 E1084T1076-L1080 WeakPolarHBondContact O-CA 3.31Å; T1076-L1080 WeakPolarHBondContact O-CB 3.49Å; T1076-L1080 VanDerWaalsContact O-CD1 3.3Å; T1076-L1080 WeakPolarHBondContact O-CD1 3.47Å; T1076-L1080 WeakPolarHBondContact O-CG 3.49Å; T1076-L1080 PolarHBondContact O-N 2.78Å; I1077-L1080 PolarHBondContact O-N 2.96Å; L1080-N1083 CarbonylContact O-C 3.57Å; L1080-N1083 PolarHBondContact O-N 2.97Å; L1080-E1084 WeakPolarHBondContact O-CA 3.45Å; L1080-E1084 WeakPolarHBondContact O-CB 3.46Å; L1080-E1084 PolarHBondContact O-N 3.4Å
1081K80.2Confident74.6Confident114 Ų11495.9 Ų95.950%0.49647%0.47SS..Hα-helixtrans-66.1-39.6167.4-69.7167.4-157.8157.60111.4I1077 D1078 E1084 S1085I1077-K1081 VanDerWaalsContact O-CG 3.31Å; I1077-K1081 WeakPolarHBondContact O-CG 3.3Å; I1077-K1081 PolarHBondContact O-N 2.99Å; D1078-K1081 IonicContact OD1-NZ 2.72Å; D1078-K1081 PolarHBondContact OD1-NZ 3.23Å; K1081-E1084 PolarHBondContact O-N 3.22Å; K1081-S1085 WeakPolarHBondContact O-CB 3.41Å; K1081-S1085 PolarHBondContact O-N 3.26Å
1082R80.8Confident75.5Confident174 Ų17494.3 Ų94.366%0.65747%0.466SS*.Hα-helixtrans-67.2-40.5175.5-162.8-174-168.793.74.8111.1D1078 E1079 S1085 I1086D1078-R1082 VanDerWaalsContact O-CB 3.26Å; D1078-R1082 WeakPolarHBondContact O-CB 3.46Å; D1078-R1082 PolarHBondContact O-N 3.43Å; E1079-R1082 CarbonylContact O-C 3.58Å; E1079-R1082 PolarHBondContact O-N 3.15Å; R1082-S1085 CarbonylContact O-C 3.56Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.29Å; R1082-I1086 HydrophobicContact CG-CD1 3.99Å; R1082-I1086 WeakPolarHBondContact O-CB 3.41Å; R1082-I1086 WeakPolarHBondContact O-CD1 3.49Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.31Å; R1082-I1086 PolarHBondContact O-N 3.39Å
1083N76.5Confident76.7Confident75 Ų7594.2 Ų94.240%0.40147%0.469SS..Hα-helixtrans-76.5-25.2176.8-68-20.2000111.6E1079 L1080 L1087E1079-N1083 WeakPolarHBondContact O-CA 3.5Å; E1079-N1083 WeakPolarHBondContact O-CB 3.17Å; E1079-N1083 PolarHBondContact O-N 2.7Å; E1079-N1083 PolarHBondContact O-ND2 3.24Å; E1079-N1083 VanDerWaalsContact O-ND2 3.12Å; E1079-N1083 PolarHBondContact O-OD1 3.32Å; L1080-N1083 CarbonylContact O-C 3.57Å; L1080-N1083 PolarHBondContact O-N 2.97Å; N1083-L1087 WeakPolarHBondContact O-CA 3.34Å; N1083-L1087 WeakPolarHBondContact O-CB 3.34Å; N1083-L1087 WeakPolarHBondContact O-CD1 3.33Å; N1083-L1087 WeakPolarHBondContact O-CG 3.45Å; N1083-L1087 PolarHBondContact O-N 3.4Å
1084E78.6Confident77.4Confident101 Ų10198.3 Ų98.347%0.47248%0.483SS..Hα-helixtrans-73.3-38.1167.9-172.3-162.5149.200109.7L1080 K1081 L1087 K1088L1080-E1084 WeakPolarHBondContact O-CA 3.45Å; L1080-E1084 WeakPolarHBondContact O-CB 3.46Å; L1080-E1084 PolarHBondContact O-N 3.4Å; K1081-E1084 PolarHBondContact O-N 3.22Å; E1084-L1087 PolarHBondContact O-N 3.33Å; E1084-K1088 HydrophobicContact CG-CD 4.33Å; E1084-K1088 VanDerWaalsContact O-CB 3.23Å; E1084-K1088 WeakPolarHBondContact O-CB 3.43Å; E1084-K1088 VanDerWaalsContact O-CG 3.25Å; E1084-K1088 WeakPolarHBondContact O-CG 3.37Å; E1084-K1088 PolarHBondContact O-N 3.29Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.24Å; E1084-K1088 IonicContact OE1-NZ 2.62Å; E1084-K1088 PolarHBondContact OE1-NZ 3.47Å
1085S80.1Confident78.2Confident73 Ų7398.2 Ų98.251%0.5148%0.482SS..Hα-helixtrans-65.2-43.3170.4-1650000111.1K1081 R1082 K1088 E1089K1081-S1085 WeakPolarHBondContact O-CB 3.41Å; K1081-S1085 PolarHBondContact O-N 3.26Å; R1082-S1085 CarbonylContact O-C 3.56Å; R1082-S1085 WeakPolarHBondContact O-CB 3.38Å; R1082-S1085 PolarHBondContact O-N 3.29Å; S1085-K1088 PolarHBondContact O-N 3Å; S1085-E1089 WeakPolarHBondContact O-CB 3.44Å; S1085-E1089 PolarHBondContact O-N 3.35Å
1086I80Confident78.9Confident62 Ų6298.5 Ų98.532%0.31848%0.482SS..Hα-helixtrans-73.2-29.6176.3-68.4162.3000111.2R1082 N1090R1082-I1086 HydrophobicContact CG-CD1 3.99Å; R1082-I1086 WeakPolarHBondContact O-CB 3.41Å; R1082-I1086 WeakPolarHBondContact O-CD1 3.49Å; R1082-I1086 WeakPolarHBondContact O-CG1 3.31Å; R1082-I1086 PolarHBondContact O-N 3.39Å; I1086-N1090 WeakPolarHBondContact O-CA 3.49Å; I1086-N1090 WeakPolarHBondContact O-CB 3.38Å; I1086-N1090 PolarHBondContact O-N 2.87Å; I1086-N1090 PolarHBondContact O-ND2 3.44Å
1087L77.2Confident79.6Confident94 Ų94101 Ų10149%0.49249%0.492SS..Hα-helixtrans-73.4-36.7170.2-93.8150000110.8N1083 E1084 Y1091N1083-L1087 WeakPolarHBondContact O-CA 3.34Å; N1083-L1087 WeakPolarHBondContact O-CB 3.34Å; N1083-L1087 WeakPolarHBondContact O-CD1 3.33Å; N1083-L1087 WeakPolarHBondContact O-CG 3.45Å; N1083-L1087 PolarHBondContact O-N 3.4Å; E1084-L1087 PolarHBondContact O-N 3.33Å; L1087-Y1091 HydrophobicContact CD2-CD2 4.16Å; L1087-Y1091 HydrophobicContact CD2-CE2 3.76Å; L1087-Y1091 WeakPolarHBondContact O-CA 3.35Å; L1087-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1087-Y1091 WeakPolarHBondContact O-CD2 3.38Å; L1087-Y1091 PolarHBondContact O-N 2.63Å
1088K82Confident80.2Confident122 Ų122102.6 Ų102.653%0.5350%0.497SS..Hα-helixtrans-67.4-40.8171.4-79.7168.3171.3169.40111.2E1084 S1085 T1092E1084-K1088 HydrophobicContact CG-CD 4.33Å; E1084-K1088 VanDerWaalsContact O-CB 3.23Å; E1084-K1088 WeakPolarHBondContact O-CB 3.43Å; E1084-K1088 VanDerWaalsContact O-CG 3.25Å; E1084-K1088 WeakPolarHBondContact O-CG 3.37Å; E1084-K1088 PolarHBondContact O-N 3.29Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.24Å; E1084-K1088 IonicContact OE1-NZ 2.62Å; E1084-K1088 PolarHBondContact OE1-NZ 3.47Å; S1085-K1088 PolarHBondContact O-N 3Å; K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 2.91Å; K1088-T1092 PolarHBondContact O-OG1 3.34Å
1089E83.3Confident80.6Confident108 Ų108103.9 Ų103.951%0.50550%0.5SS..Hα-helixtrans-67.2-45.1174.8-172.3171.1-172.100110.9S1085 T1092 N1093S1085-E1089 WeakPolarHBondContact O-CB 3.44Å; S1085-E1089 PolarHBondContact O-N 3.35Å; E1089-T1092 CarbonylContact O-C 3.55Å; E1089-T1092 PolarHBondContact O-N 3.42Å; E1089-N1093 VanDerWaalsContact O-CB 3.28Å; E1089-N1093 WeakPolarHBondContact O-CB 3.41Å; E1089-N1093 PolarHBondContact O-N 2.84Å; E1089-N1093 PolarHBondContact O-ND2 3.27Å
1090N81.8Confident81Confident80 Ų80103.2 Ų103.243%0.42850%0.496SS..Hα-helixtrans-67.4-38.1174.6-73.3-13.3000112.5I1086 N1093 Q1094I1086-N1090 WeakPolarHBondContact O-CA 3.49Å; I1086-N1090 WeakPolarHBondContact O-CB 3.38Å; I1086-N1090 PolarHBondContact O-N 2.87Å; I1086-N1090 PolarHBondContact O-ND2 3.44Å; N1090-N1093 PolarHBondContact O-N 2.82Å; N1090-Q1094 VanDerWaalsContact O-CB 3.25Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.21Å; N1090-Q1094 VanDerWaalsContact O-CG 3.26Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.5Å; N1090-Q1094 PolarHBondContact O-N 3.36Å
1091Y80.2Confident81.3Confident143 Ų143100.2 Ų100.256%0.56149%0.485SS*.Hα-helixtrans-69.5-33.8171.9-84.8-57000111.5L1087 Q1094 L1095L1087-Y1091 HydrophobicContact CD2-CD2 4.16Å; L1087-Y1091 HydrophobicContact CD2-CE2 3.76Å; L1087-Y1091 WeakPolarHBondContact O-CA 3.35Å; L1087-Y1091 WeakPolarHBondContact O-CB 3.34Å; L1087-Y1091 WeakPolarHBondContact O-CD2 3.38Å; L1087-Y1091 PolarHBondContact O-N 2.63Å; Y1091-Q1094 PolarHBondContact O-N 2.89Å; Y1091-L1095 VanDerWaalsContact O-CB 3.25Å; Y1091-L1095 WeakPolarHBondContact O-CB 3.49Å; Y1091-L1095 PolarHBondContact O-N 3.31Å
1092T82.8Confident81.5Confident85 Ų85100.1 Ų100.152%0.52149%0.486SS..Hα-helixtrans-69.3-39.4173.5-57.90000110.6K1088 E1089 L1095 K1096K1088-T1092 WeakPolarHBondContact O-CB 3.47Å; K1088-T1092 PolarHBondContact O-N 2.91Å; K1088-T1092 PolarHBondContact O-OG1 3.34Å; E1089-T1092 CarbonylContact O-C 3.55Å; E1089-T1092 PolarHBondContact O-N 3.42Å; T1092-L1095 PolarHBondContact O-N 2.94Å; T1092-K1096 VanDerWaalsContact O-CB 3.25Å; T1092-K1096 WeakPolarHBondContact O-CB 3.14Å; T1092-K1096 PolarHBondContact O-N 2.94Å
1093N84Confident81.6Confident75 Ų7596.6 Ų96.640%0.40148%0.477SS..Hα-helixtrans-71.1-35174.8-68.7-23.6000111.4E1089 N1090 L1097E1089-N1093 VanDerWaalsContact O-CB 3.28Å; E1089-N1093 WeakPolarHBondContact O-CB 3.41Å; E1089-N1093 PolarHBondContact O-N 2.84Å; E1089-N1093 PolarHBondContact O-ND2 3.27Å; N1090-N1093 PolarHBondContact O-N 2.82Å; N1093-L1097 VanDerWaalsContact O-CB 3.22Å; N1093-L1097 WeakPolarHBondContact O-CB 3.44Å; N1093-L1097 WeakPolarHBondContact O-CD1 3.19Å; N1093-L1097 WeakPolarHBondContact O-CG 3.31Å; N1093-L1097 PolarHBondContact O-N 3.31Å
1094Q77.8Confident82Confident116 Ų11696.9 Ų96.954%0.54248%0.482SS..Hα-helixtrans-70.6-38.4171.4-79.4179.4-13.200111.9N1090 Y1091 F1098N1090-Q1094 VanDerWaalsContact O-CB 3.25Å; N1090-Q1094 WeakPolarHBondContact O-CB 3.21Å; N1090-Q1094 VanDerWaalsContact O-CG 3.26Å; N1090-Q1094 WeakPolarHBondContact O-CG 3.5Å; N1090-Q1094 PolarHBondContact O-N 3.36Å; Y1091-Q1094 PolarHBondContact O-N 2.89Å; Q1094-F1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-F1098 PolarHBondContact O-N 3.46Å
1095L83.3Confident82.2Confident98 Ų9896.5 Ų96.551%0.51348%0.482SS..Hα-helixtrans-62.3-46.1170.4-95.1150.6000110.5Y1091 T1092 F1098 E1099Y1091-L1095 VanDerWaalsContact O-CB 3.25Å; Y1091-L1095 WeakPolarHBondContact O-CB 3.49Å; Y1091-L1095 PolarHBondContact O-N 3.31Å; T1092-L1095 PolarHBondContact O-N 2.94Å; L1095-F1098 CarbonylContact O-C 3.59Å; L1095-F1098 WeakPolarHBondContact O-CB 3.12Å; L1095-F1098 PolarHBondContact O-N 2.69Å; L1095-F1098 VanDerWaalsContact O-N 3.16Å; L1095-E1099 WeakPolarHBondContact O-CB 3.39Å; L1095-E1099 VanDerWaalsContact O-CG 3.26Å; L1095-E1099 WeakPolarHBondContact O-CG 3.44Å; L1095-E1099 PolarHBondContact O-N 3.24Å
1096K86Confident82.6Confident108 Ų108100 Ų10047%0.4749%0.485SS..Hα-helixtrans-65.8-41.8177.8-170.2171.7-178.7-700112.4T1092 F1098 E1099 E1100T1092-K1096 VanDerWaalsContact O-CB 3.25Å; T1092-K1096 WeakPolarHBondContact O-CB 3.14Å; T1092-K1096 PolarHBondContact O-N 2.94Å; K1096-F1098 VanDerWaalsContact C-N 3.3Å; K1096-F1098 PolarHBondContact O-N 3.34Å; K1096-E1099 PolarHBondContact O-N 3.29Å; K1096-E1100 IonicContact NZ-OE1 2.64Å; K1096-E1100 PolarHBondContact NZ-OE1 3.48Å; K1096-E1100 VanDerWaalsContact O-CB 3.26Å; K1096-E1100 WeakPolarHBondContact O-CB 3.18Å; K1096-E1100 WeakPolarHBondContact O-CG 3.32Å; K1096-E1100 PolarHBondContact O-N 2.84Å
1097L80.5Confident82.9Confident110 Ų110100.1 Ų100.158%0.57649%0.486SS*.Hα-helixtrans-65.4-32.7171.8-76.4166.6000111.9N1093 S1101N1093-L1097 VanDerWaalsContact O-CB 3.22Å; N1093-L1097 WeakPolarHBondContact O-CB 3.44Å; N1093-L1097 WeakPolarHBondContact O-CD1 3.19Å; N1093-L1097 WeakPolarHBondContact O-CG 3.31Å; N1093-L1097 PolarHBondContact O-N 3.31Å; L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.21Å; L1097-S1101 PolarHBondContact O-N 3.31Å; L1097-S1101 PolarHBondContact O-OG 3.25Å
1098F83.8Confident83.3Confident117 Ų117100 Ų10051%0.51349%0.485SS..Hα-helixtrans-73.1-42.5175.6-177.6-106.6000111.4Q1094 L1095 K1096 S1101 Q1102Q1094-F1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-F1098 PolarHBondContact O-N 3.46Å; L1095-F1098 CarbonylContact O-C 3.59Å; L1095-F1098 WeakPolarHBondContact O-CB 3.12Å; L1095-F1098 PolarHBondContact O-N 2.69Å; L1095-F1098 VanDerWaalsContact O-N 3.16Å; K1096-F1098 VanDerWaalsContact C-N 3.3Å; K1096-F1098 PolarHBondContact O-N 3.34Å; F1098-S1101 WeakPolarHBondContact CA-OG 3.43Å; F1098-S1101 CarbonylContact O-C 3.56Å; F1098-S1101 PolarHBondContact O-N 2.95Å; F1098-S1101 PolarHBondContact O-OG 2.86Å; F1098-Q1102 HydrophobicContact CD1-CG 4.49Å; F1098-Q1102 HydrophobicContact CE1-CG 4.24Å; F1098-Q1102 HydrophobicContact CZ-CG 4.32Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.24Å; F1098-Q1102 PolarHBondContact O-N 2.77Å
1099E86.7Confident83.5Confident119 Ų11998.5 Ų98.556%0.55648%0.483SS*.Hα-helixtrans-61.4-45.5171.7-73.3167.4177.800110.9L1095 K1096 S1101 Q1102 Q1103L1095-E1099 WeakPolarHBondContact O-CB 3.39Å; L1095-E1099 VanDerWaalsContact O-CG 3.26Å; L1095-E1099 WeakPolarHBondContact O-CG 3.44Å; L1095-E1099 PolarHBondContact O-N 3.24Å; K1096-E1099 PolarHBondContact O-N 3.29Å; E1099-S1101 VanDerWaalsContact C-N 3.33Å; E1099-S1101 PolarHBondContact O-N 2.9Å; E1099-Q1102 PolarHBondContact O-N 2.79Å; E1099-Q1103 WeakPolarHBondContact O-CB 3.32Å; E1099-Q1103 PolarHBondContact O-N 3.28Å
1100E83.7Confident83.7Confident85 Ų8599 Ų9940%0.39748%0.484SS..Hα-helixtrans-61.6-39.2172.1-75.3166.7177.800111.6K1096 T1104K1096-E1100 IonicContact NZ-OE1 2.64Å; K1096-E1100 PolarHBondContact NZ-OE1 3.48Å; K1096-E1100 VanDerWaalsContact O-CB 3.26Å; K1096-E1100 WeakPolarHBondContact O-CB 3.18Å; K1096-E1100 WeakPolarHBondContact O-CG 3.32Å; K1096-E1100 PolarHBondContact O-N 2.84Å; E1100-T1104 VanDerWaalsContact O-CB 3.3Å; E1100-T1104 WeakPolarHBondContact O-CB 3.32Å; E1100-T1104 PolarHBondContact O-N 3Å; E1100-T1104 PolarHBondContact O-OG1 2.89Å
1101S77.5Confident83.8Confident46 Ų46100.4 Ų100.432%0.32249%0.488SS..Hα-helixtrans-68.7-37.8174.180.10000112.5L1097 F1098 E1099 T1104 I1105L1097-S1101 VanDerWaalsContact O-CB 3.26Å; L1097-S1101 WeakPolarHBondContact O-CB 3.21Å; L1097-S1101 PolarHBondContact O-N 3.31Å; L1097-S1101 PolarHBondContact O-OG 3.25Å; F1098-S1101 WeakPolarHBondContact CA-OG 3.43Å; F1098-S1101 CarbonylContact O-C 3.56Å; F1098-S1101 PolarHBondContact O-N 2.95Å; F1098-S1101 PolarHBondContact O-OG 2.86Å; E1099-S1101 VanDerWaalsContact C-N 3.33Å; E1099-S1101 PolarHBondContact O-N 2.9Å; S1101-T1104 PolarHBondContact O-N 3.1Å; S1101-I1105 WeakPolarHBondContact O-CB 3.37Å; S1101-I1105 WeakPolarHBondContact O-CD1 3.49Å; S1101-I1105 WeakPolarHBondContact O-CG1 3.36Å; S1101-I1105 PolarHBondContact O-N 3.48Å
1102Q84Confident83.9Confident112 Ų11298.2 Ų98.252%0.52349%0.485SS..Hα-helixtrans-69.8-39.3176.3-75.7-156.8-4.100111.6F1098 E1099 I1105 Y1106F1098-Q1102 HydrophobicContact CD1-CG 4.49Å; F1098-Q1102 HydrophobicContact CE1-CG 4.24Å; F1098-Q1102 HydrophobicContact CZ-CG 4.32Å; F1098-Q1102 WeakPolarHBondContact O-CG 3.24Å; F1098-Q1102 PolarHBondContact O-N 2.77Å; E1099-Q1102 PolarHBondContact O-N 2.79Å; Q1102-I1105 PolarHBondContact O-N 3.13Å; Q1102-Y1106 WeakPolarHBondContact O-CB 3.4Å; Q1102-Y1106 PolarHBondContact O-N 2.84Å
1103Q83.7Confident84Confident100 Ų100101 Ų10147%0.46749%0.492SS..Hα-helixtrans-63.6-43.6172.4-174.958.652.400110.6E1099 I1105 Y1106 D1107E1099-Q1103 WeakPolarHBondContact O-CB 3.32Å; E1099-Q1103 PolarHBondContact O-N 3.28Å; Q1103-I1105 PolarHBondContact O-N 2.85Å; Q1103-Y1106 WeakPolarHBondContact O-CB 3.45Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; Q1103-D1107 VanDerWaalsContact NE2-CG 3.25Å; Q1103-D1107 PolarHBondContact NE2-OD1 2.76Å; Q1103-D1107 VanDerWaalsContact NE2-OD1 3.15Å; Q1103-D1107 PolarHBondContact NE2-OD2 2.61Å; Q1103-D1107 PolarHBondContact O-N 3.38Å
1104T83.9Confident84Confident81 Ų81102.2 Ų102.250%0.49750%0.499SS..Hα-helixtrans-61.8-43175.1-55.90000111.5E1100 S1101 D1107 L1108E1100-T1104 VanDerWaalsContact O-CB 3.3Å; E1100-T1104 WeakPolarHBondContact O-CB 3.32Å; E1100-T1104 PolarHBondContact O-N 3Å; E1100-T1104 PolarHBondContact O-OG1 2.89Å; S1101-T1104 PolarHBondContact O-N 3.1Å; T1104-D1107 PolarHBondContact O-N 2.83Å; T1104-L1108 HydrophobicContact CG2-CD1 3.97Å; T1104-L1108 HydrophobicContact CG2-CG 4.4Å; T1104-L1108 VanDerWaalsContact O-CB 3.27Å; T1104-L1108 WeakPolarHBondContact O-CB 3.45Å; T1104-L1108 WeakPolarHBondContact O-CG 3.45Å; T1104-L1108 PolarHBondContact O-N 3.06Å
1105I83.8Confident84.1Confident92 Ų92101.7 Ų101.747%0.47250%0.498SS..Hα-helixtrans-64.5-39175.1-72.3162.6000111.1S1101 Q1102 Q1103 N1109S1101-I1105 WeakPolarHBondContact O-CB 3.37Å; S1101-I1105 WeakPolarHBondContact O-CD1 3.49Å; S1101-I1105 WeakPolarHBondContact O-CG1 3.36Å; S1101-I1105 PolarHBondContact O-N 3.48Å; Q1102-I1105 PolarHBondContact O-N 3.13Å; Q1103-I1105 PolarHBondContact O-N 2.85Å; I1105-N1109 VanDerWaalsContact O-CB 3.29Å; I1105-N1109 WeakPolarHBondContact O-CB 3.33Å; I1105-N1109 PolarHBondContact O-N 3.31Å; I1105-N1109 PolarHBondContact O-ND2 3.44Å
1106Y87.8Confident84.1Confident146 Ų146100.6 Ų100.657%0.57350%0.496SS*.Hα-helixtrans-64.9-46175.9178.3-93.6000111.8Q1102 Q1103 N1109 K1110Q1102-Y1106 WeakPolarHBondContact O-CB 3.4Å; Q1102-Y1106 PolarHBondContact O-N 2.84Å; Q1103-Y1106 WeakPolarHBondContact O-CB 3.45Å; Q1103-Y1106 PolarHBondContact O-N 3.06Å; Y1106-N1109 PolarHBondContact O-N 2.83Å; Y1106-K1110 WeakPolarHBondContact O-CB 3.48Å; Y1106-K1110 PolarHBondContact O-N 3.44Å
1107D86.3Confident84Confident66 Ų66101.9 Ų101.935%0.35350%0.503SS..Hα-helixtrans-70.4-32.1178.6-67-35.9000112.3Q1103 T1104 Q1111Q1103-D1107 VanDerWaalsContact NE2-CG 3.25Å; Q1103-D1107 PolarHBondContact NE2-OD1 2.76Å; Q1103-D1107 VanDerWaalsContact NE2-OD1 3.15Å; Q1103-D1107 PolarHBondContact NE2-OD2 2.61Å; Q1103-D1107 PolarHBondContact O-N 3.38Å; T1104-D1107 PolarHBondContact O-N 2.83Å; D1107-Q1111 WeakPolarHBondContact O-CG 3.35Å; D1107-Q1111 PolarHBondContact O-N 2.78Å; D1107-Q1111 PolarHBondContact O-NE2 2.93Å
1108L87Confident84.2Confident90 Ų90103.5 Ų103.547%0.47151%0.506SS..Hα-helixtrans-68.4-42.2169.6-75.8171000112.1T1104 K1110 Q1111 L1112T1104-L1108 HydrophobicContact CG2-CD1 3.97Å; T1104-L1108 HydrophobicContact CG2-CG 4.4Å; T1104-L1108 VanDerWaalsContact O-CB 3.27Å; T1104-L1108 WeakPolarHBondContact O-CB 3.45Å; T1104-L1108 WeakPolarHBondContact O-CG 3.45Å; T1104-L1108 PolarHBondContact O-N 3.06Å; L1108-K1110 VanDerWaalsContact C-N 3.31Å; L1108-K1110 PolarHBondContact O-N 3.24Å; L1108-Q1111 PolarHBondContact O-N 2.84Å; L1108-L1112 WeakPolarHBondContact O-CB 3.47Å; L1108-L1112 PolarHBondContact O-N 3.24Å
1109N85.5Confident84Confident92 Ų92101.1 Ų101.149%0.49250%0.504SS..Hα-helixtrans-62.6-39.2175-76.9-20.5000111.4I1105 Y1106 L1112 E1113I1105-N1109 VanDerWaalsContact O-CB 3.29Å; I1105-N1109 WeakPolarHBondContact O-CB 3.33Å; I1105-N1109 PolarHBondContact O-N 3.31Å; I1105-N1109 PolarHBondContact O-ND2 3.44Å; Y1106-N1109 PolarHBondContact O-N 2.83Å; N1109-L1112 WeakPolarHBondContact O-CB 3.28Å; N1109-L1112 PolarHBondContact O-N 2.86Å; N1109-E1113 WeakPolarHBondContact O-CB 3.35Å; N1109-E1113 PolarHBondContact O-N 3.34Å
1110K87.1Confident83.8Confident118 Ų118100.4 Ų100.451%0.51350%0.504SS..Hα-helixtrans-68.5-34.3175.4-170178.3179.5-174.50112.7Y1106 L1108 L1114Y1106-K1110 WeakPolarHBondContact O-CB 3.48Å; Y1106-K1110 PolarHBondContact O-N 3.44Å; L1108-K1110 VanDerWaalsContact C-N 3.31Å; L1108-K1110 PolarHBondContact O-N 3.24Å; K1110-L1114 PolarHBondContact O-N 3.19Å; K1110-L1114 VanDerWaalsContact O-N 3.16Å
1111Q84.1Confident83.8Confident110 Ų110104.2 Ų104.251%0.51452%0.515SS..Hα-helixtrans-68.4-41170.3-76.6174.165.400111.7D1107 L1108 L1114 I1115D1107-Q1111 WeakPolarHBondContact O-CG 3.35Å; D1107-Q1111 PolarHBondContact O-N 2.78Å; D1107-Q1111 PolarHBondContact O-NE2 2.93Å; L1108-Q1111 PolarHBondContact O-N 2.84Å; Q1111-L1114 PolarHBondContact O-N 2.78Å; Q1111-I1115 WeakPolarHBondContact O-CB 3.26Å; Q1111-I1115 WeakPolarHBondContact O-CD1 3.45Å; Q1111-I1115 WeakPolarHBondContact O-CG1 3.21Å; Q1111-I1115 PolarHBondContact O-N 3.23Å
1112L82.3Confident83.9Confident97 Ų97106.2 Ų106.251%0.50852%0.521SS..Hα-helixtrans-60-43.2172.6-83.6162.8000111.6L1108 N1109 L1114 I1115 T1116L1108-L1112 WeakPolarHBondContact O-CB 3.47Å; L1108-L1112 PolarHBondContact O-N 3.24Å; N1109-L1112 WeakPolarHBondContact O-CB 3.28Å; N1109-L1112 PolarHBondContact O-N 2.86Å; L1112-L1114 PolarHBondContact O-N 3.27Å; L1112-I1115 CarbonylContact O-C 3.6Å; L1112-I1115 PolarHBondContact O-N 2.84Å; L1112-T1116 WeakPolarHBondContact O-CB 3.45Å; L1112-T1116 PolarHBondContact O-N 3.25Å; L1112-T1116 PolarHBondContact O-OG1 3.43Å
1113E84.7Confident83.7Confident142 Ų142104 Ų10466%0.66452%0.518SS*.Hα-helixtrans-60.9-45.1176.7-170.1170.1-141.400111.8N1109 T1116 E1117N1109-E1113 WeakPolarHBondContact O-CB 3.35Å; N1109-E1113 PolarHBondContact O-N 3.34Å; E1113-T1116 PolarHBondContact O-N 3.37Å; E1113-E1117 PolarHBondContact O-N 3.48Å
1114L84.1Confident83.8Confident102 Ų102104.8 Ų104.853%0.53452%0.52SS..Hα-helixtrans-65.3-37.1173.7-76.3165.5000113.3K1110 Q1111 L1112 K1118K1110-L1114 PolarHBondContact O-N 3.19Å; K1110-L1114 VanDerWaalsContact O-N 3.16Å; Q1111-L1114 PolarHBondContact O-N 2.78Å; L1112-L1114 PolarHBondContact O-N 3.27Å; L1114-K1118 WeakPolarHBondContact O-CB 3.4Å; L1114-K1118 PolarHBondContact O-N 2.91Å
1115I81Confident83.5Confident105 Ų105104.7 Ų104.754%0.53851%0.514SS..Hα-helixtrans-68.6-38.6174.7-71.6164.1000110.3Q1111 L1112 K1118 S1119Q1111-I1115 WeakPolarHBondContact O-CB 3.26Å; Q1111-I1115 WeakPolarHBondContact O-CD1 3.45Å; Q1111-I1115 WeakPolarHBondContact O-CG1 3.21Å; Q1111-I1115 PolarHBondContact O-N 3.23Å; L1112-I1115 CarbonylContact O-C 3.6Å; L1112-I1115 PolarHBondContact O-N 2.84Å; I1115-K1118 PolarHBondContact O-N 3.32Å; I1115-S1119 WeakPolarHBondContact O-CB 3.44Å; I1115-S1119 PolarHBondContact O-N 3.21Å
1116T83.2Confident83.2Confident74 Ų74105.7 Ų105.745%0.45452%0.519SS..Hα-helixtrans-67.2-42.5174.9-61.70000111.3L1112 E1113 S1119 N1120L1112-T1116 WeakPolarHBondContact O-CB 3.45Å; L1112-T1116 PolarHBondContact O-N 3.25Å; L1112-T1116 PolarHBondContact O-OG1 3.43Å; E1113-T1116 PolarHBondContact O-N 3.37Å; T1116-S1119 PolarHBondContact O-N 3.13Å; T1116-N1120 WeakPolarHBondContact O-CB 3.4Å; T1116-N1120 PolarHBondContact O-N 2.88Å; T1116-N1120 PolarHBondContact O-ND2 2.86Å
1117E83.8Confident82.7Confident136 Ų136101.8 Ų101.864%0.63651%0.511SS*.Hα-helixtrans-62-45.1173.4-172.4177.7-158.700111.4E1113 S1119 N1120 R1121E1113-E1117 PolarHBondContact O-N 3.48Å; E1117-S1119 PolarHBondContact O-N 3.03Å; E1117-N1120 PolarHBondContact O-N 2.72Å; E1117-R1121 WeakPolarHBondContact O-CB 3.44Å; E1117-R1121 PolarHBondContact O-N 3.49Å
1118K83.6Confident82.5Confident143 Ų143103.3 Ų103.362%0.62252%0.516SS*.Hα-helixtrans-63-40.2174.9-169.5-177.1178.4-169.30112.1L1114 I1115 R1121 L1122L1114-K1118 WeakPolarHBondContact O-CB 3.4Å; L1114-K1118 PolarHBondContact O-N 2.91Å; I1115-K1118 PolarHBondContact O-N 3.32Å; K1118-R1121 PolarHBondContact O-N 3.39Å; K1118-L1122 HydrophobicContact CG-CD1 4.15Å; K1118-L1122 WeakPolarHBondContact O-CB 3.3Å; K1118-L1122 WeakPolarHBondContact O-CG 3.4Å; K1118-L1122 PolarHBondContact O-N 3.34Å
1119S79.9Confident82.1Confident67 Ų67106.2 Ų106.247%0.46953%0.525SS..Hα-helixtrans-65.9-47.2177.8-174.40000111.5I1115 T1116 E1117 R1121 L1122 S1123I1115-S1119 WeakPolarHBondContact O-CB 3.44Å; I1115-S1119 PolarHBondContact O-N 3.21Å; T1116-S1119 PolarHBondContact O-N 3.13Å; E1117-S1119 PolarHBondContact O-N 3.03Å; S1119-R1121 VanDerWaalsContact C-N 3.27Å; S1119-R1121 PolarHBondContact O-N 2.94Å; S1119-L1122 PolarHBondContact O-N 3.13Å; S1119-S1123 VanDerWaalsContact O-CB 3.28Å; S1119-S1123 WeakPolarHBondContact O-CB 3.33Å; S1119-S1123 PolarHBondContact O-N 2.85Å
1120N82.7Confident81.6Confident105 Ų105107 Ų10756%0.56153%0.525SS*.Hα-helixtrans-60.2-38174.9-70.7-20.7000111.7T1116 E1117 K1124T1116-N1120 WeakPolarHBondContact O-CB 3.4Å; T1116-N1120 PolarHBondContact O-N 2.88Å; T1116-N1120 PolarHBondContact O-ND2 2.86Å; E1117-N1120 PolarHBondContact O-N 2.72Å; N1120-K1124 WeakPolarHBondContact O-CB 3.25Å; N1120-K1124 PolarHBondContact O-N 2.77Å
1121R84Confident81.3Confident165 Ų165105.1 Ų105.162%0.62352%0.524SS*.Hα-helixtrans-68.1-46.6175.5-178.1173.7172.5171.1-1.2112.3E1117 K1118 S1119 S1123 K1124 E1125E1117-R1121 WeakPolarHBondContact O-CB 3.44Å; E1117-R1121 PolarHBondContact O-N 3.49Å; K1118-R1121 PolarHBondContact O-N 3.39Å; S1119-R1121 VanDerWaalsContact C-N 3.27Å; S1119-R1121 PolarHBondContact O-N 2.94Å; R1121-S1123 VanDerWaalsContact C-N 3.32Å; R1121-S1123 PolarHBondContact O-N 3.2Å; R1121-K1124 PolarHBondContact O-N 3.49Å; R1121-E1125 WeakPolarHBondContact CG-OE1 3.28Å; R1121-E1125 IonicContact CZ-OE1 2.68Å; R1121-E1125 IonicContact NE-OE1 3.98Å; R1121-E1125 PolarHBondContact NE-OE1 3.39Å; R1121-E1125 IonicContact NH2-OE1 2.71Å; R1121-E1125 PolarHBondContact NH2-OE1 3.37Å; R1121-E1125 WeakPolarHBondContact O-CB 3.45Å; R1121-E1125 WeakPolarHBondContact O-CG 3.23Å; R1121-E1125 PolarHBondContact O-N 3.23Å
1122L80.3Confident81.1Confident88 Ų88104.2 Ų104.246%0.46153%0.526SS..Hα-helixtrans-62.9-38.2175.2-75.6169.8000111.8K1118 S1119 E1125 L1126K1118-L1122 HydrophobicContact CG-CD1 4.15Å; K1118-L1122 WeakPolarHBondContact O-CB 3.3Å; K1118-L1122 WeakPolarHBondContact O-CG 3.4Å; K1118-L1122 PolarHBondContact O-N 3.34Å; S1119-L1122 PolarHBondContact O-N 3.13Å; L1122-E1125 PolarHBondContact O-N 2.81Å; L1122-L1126 WeakPolarHBondContact O-CB 3.4Å; L1122-L1126 PolarHBondContact O-N 2.8Å
1123S80.1Confident80.8Confident65 Ų65104.8 Ų104.846%0.45553%0.529SS..Hα-helixtrans-62.9-43173.7175.70000111.5S1119 R1121 L1126 T1127S1119-S1123 VanDerWaalsContact O-CB 3.28Å; S1119-S1123 WeakPolarHBondContact O-CB 3.33Å; S1119-S1123 PolarHBondContact O-N 2.85Å; R1121-S1123 VanDerWaalsContact C-N 3.32Å; R1121-S1123 PolarHBondContact O-N 3.2Å; S1123-L1126 WeakPolarHBondContact O-CB 3.35Å; S1123-L1126 PolarHBondContact O-N 2.9Å; S1123-T1127 WeakPolarHBondContact O-CG2 3.37Å; S1123-T1127 PolarHBondContact O-N 3.29Å; S1123-T1127 PolarHBondContact O-OG1 3.36Å
1124K83.7Confident80.4Confident117 Ų117102 Ų10251%0.50952%0.518SS..Hα-helixtrans-63.4-47.2173.3-173.2172.6-179.1-68.10112N1120 R1121 L1126 T1127 E1128N1120-K1124 WeakPolarHBondContact O-CB 3.25Å; N1120-K1124 PolarHBondContact O-N 2.77Å; R1121-K1124 PolarHBondContact O-N 3.49Å; K1124-L1126 PolarHBondContact O-N 3.29Å; K1124-T1127 PolarHBondContact O-N 3.2Å; K1124-T1127 PolarHBondContact O-OG1 2.76Å; K1124-E1128 IonicContact NZ-OE1 2.62Å; K1124-E1128 PolarHBondContact NZ-OE1 2.98Å; K1124-E1128 IonicContact NZ-OE2 3.92Å; K1124-E1128 WeakPolarHBondContact O-CG 3.1Å; K1124-E1128 PolarHBondContact O-N 2.8Å
1125E78.7Confident80.3Confident78 Ų78102 Ų10236%0.36452%0.519SS..Hα-helixtrans-63.8-29.2177-70.1174-167.100111.9R1121 L1122 K1129R1121-E1125 WeakPolarHBondContact CG-OE1 3.28Å; R1121-E1125 IonicContact CZ-OE1 2.68Å; R1121-E1125 IonicContact NE-OE1 3.98Å; R1121-E1125 PolarHBondContact NE-OE1 3.39Å; R1121-E1125 IonicContact NH2-OE1 2.71Å; R1121-E1125 PolarHBondContact NH2-OE1 3.37Å; R1121-E1125 WeakPolarHBondContact O-CB 3.45Å; R1121-E1125 WeakPolarHBondContact O-CG 3.23Å; R1121-E1125 PolarHBondContact O-N 3.23Å; L1122-E1125 PolarHBondContact O-N 2.81Å; E1125-K1129 WeakPolarHBondContact O-CG 3.44Å; E1125-K1129 PolarHBondContact O-N 3.35Å; E1125-K1129 VanDerWaalsContact O-N 3.1Å
1126L77.5Confident80.1Confident113 Ų113100.8 Ų100.859%0.59252%0.516SS*.Hα-helixtrans-67.1-53167.8-95.2160.2000111.9L1122 S1123 K1124 E1128 K1129 E1130L1122-L1126 WeakPolarHBondContact O-CB 3.4Å; L1122-L1126 PolarHBondContact O-N 2.8Å; S1123-L1126 WeakPolarHBondContact O-CB 3.35Å; S1123-L1126 PolarHBondContact O-N 2.9Å; K1124-L1126 PolarHBondContact O-N 3.29Å; L1126-E1128 PolarHBondContact O-N 2.84Å; L1126-K1129 CarbonylContact O-C 3.53Å; L1126-K1129 WeakPolarHBondContact O-CA 3.44Å; L1126-K1129 WeakPolarHBondContact O-CB 3.4Å; L1126-K1129 PolarHBondContact O-N 2.84Å; L1126-E1130 VanDerWaalsContact O-CB 3.3Å; L1126-E1130 WeakPolarHBondContact O-CB 3.48Å; L1126-E1130 PolarHBondContact O-N 3.14Å
1127T78Confident79.7Confident65 Ų65101.7 Ų101.740%0.39952%0.518SS..Hα-helixtrans-61.5-30.5178.757.20000113S1123 K1124 T1131S1123-T1127 WeakPolarHBondContact O-CG2 3.37Å; S1123-T1127 PolarHBondContact O-N 3.29Å; S1123-T1127 PolarHBondContact O-OG1 3.36Å; K1124-T1127 PolarHBondContact O-N 3.2Å; K1124-T1127 PolarHBondContact O-OG1 2.76Å; T1127-T1131 WeakPolarHBondContact O-CB 3.47Å; T1127-T1131 WeakPolarHBondContact O-CG2 3.09Å; T1127-T1131 PolarHBondContact O-N 3.12Å; T1127-T1131 PolarHBondContact O-OG1 3.5Å
1128E80.7Confident79.4Confident97 Ų97100.3 Ų100.345%0.45351%0.512SS..Hα-helixtrans-70.7-41.3172.6-74.1177.2179.900111.7K1124 L1126 T1131 V1132K1124-E1128 IonicContact NZ-OE1 2.62Å; K1124-E1128 PolarHBondContact NZ-OE1 2.98Å; K1124-E1128 IonicContact NZ-OE2 3.92Å; K1124-E1128 WeakPolarHBondContact O-CG 3.1Å; K1124-E1128 PolarHBondContact O-N 2.8Å; L1126-E1128 PolarHBondContact O-N 2.84Å; E1128-T1131 PolarHBondContact O-OG1 3.41Å; E1128-T1131 VanDerWaalsContact O-OG1 3.09Å; E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.28Å; E1128-V1132 VanDerWaalsContact O-N 3.17Å
1129K79.3Confident79Confident151 Ų15199.3 Ų99.366%0.65751%0.509SS*.Hα-helixtrans-65.1-39.4171.2-78.2-179.8175.7-177.80112.6E1125 L1126 V1132 L1133E1125-K1129 WeakPolarHBondContact O-CG 3.44Å; E1125-K1129 PolarHBondContact O-N 3.35Å; E1125-K1129 VanDerWaalsContact O-N 3.1Å; L1126-K1129 CarbonylContact O-C 3.53Å; L1126-K1129 WeakPolarHBondContact O-CA 3.44Å; L1126-K1129 WeakPolarHBondContact O-CB 3.4Å; L1126-K1129 PolarHBondContact O-N 2.84Å; K1129-V1132 PolarHBondContact O-N 3.4Å; K1129-L1133 WeakPolarHBondContact O-CB 3.4Å; K1129-L1133 PolarHBondContact O-N 3.48Å
1130E75.8Confident78.6Confident109 Ų10998.9 Ų98.951%0.50951%0.506SS..Hα-helixtrans-69-41.2-178.6-173.6174.9-150.900111.7L1126 L1133 N1134L1126-E1130 VanDerWaalsContact O-CB 3.3Å; L1126-E1130 WeakPolarHBondContact O-CB 3.48Å; L1126-E1130 PolarHBondContact O-N 3.14Å; E1130-L1133 PolarHBondContact O-N 2.9Å; E1130-N1134 WeakPolarHBondContact O-CB 3.27Å; E1130-N1134 PolarHBondContact O-N 3.4Å; E1130-N1134 PolarHBondContact O-ND2 3.24Å
1131T79.4Confident78.3Confident78 Ų7898 Ų9848%0.47950%0.501SS..Hα-helixtrans-65.7-36.1171.348.70000112.5T1127 E1128 N1135T1127-T1131 WeakPolarHBondContact O-CB 3.47Å; T1127-T1131 WeakPolarHBondContact O-CG2 3.09Å; T1127-T1131 PolarHBondContact O-N 3.12Å; T1127-T1131 PolarHBondContact O-OG1 3.5Å; E1128-T1131 PolarHBondContact O-OG1 3.41Å; E1128-T1131 VanDerWaalsContact O-OG1 3.09Å; T1131-N1135 WeakPolarHBondContact O-CB 3.42Å; T1131-N1135 PolarHBondContact O-N 2.72Å; T1131-N1135 PolarHBondContact O-ND2 3.49Å
1132V81Confident78.3Confident91 Ų9194.6 Ų94.655%0.55249%0.491SS*.Hα-helixtrans-65.2-44.8171.3171.10000111.4E1128 K1129 N1135 T1136E1128-V1132 WeakPolarHBondContact O-CG2 3.19Å; E1128-V1132 PolarHBondContact O-N 3.28Å; E1128-V1132 VanDerWaalsContact O-N 3.17Å; K1129-V1132 PolarHBondContact O-N 3.4Å; V1132-N1135 PolarHBondContact O-N 3.46Å; V1132-T1136 PolarHBondContact O-N 3.36Å; V1132-T1136 PolarHBondContact O-OG1 3.09Å
1133L75.1Confident78.2Confident110 Ų11094.5 Ų94.558%0.57649%0.494SS*.Hα-helixtrans-60.7-47.7178.7-177.163.9000111.5K1129 E1130 N1135 T1136 L1137K1129-L1133 WeakPolarHBondContact O-CB 3.4Å; K1129-L1133 PolarHBondContact O-N 3.48Å; E1130-L1133 PolarHBondContact O-N 2.9Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.73Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; L1133-T1136 CarbonylContact O-C 3.55Å; L1133-T1136 PolarHBondContact O-N 3.45Å; L1133-T1136 VanDerWaalsContact O-N 3.15Å; L1133-T1136 PolarHBondContact O-OG1 3.28Å; L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 3.41Å
1134N77.3Confident78Confident83 Ų8395.4 Ų95.444%0.44450%0.496SS..Hα-helixtrans-62.9-38.6177.7-70.8-22.7000111.9E1130 L1137 E1138E1130-N1134 WeakPolarHBondContact O-CB 3.27Å; E1130-N1134 PolarHBondContact O-N 3.4Å; E1130-N1134 PolarHBondContact O-ND2 3.24Å; N1134-L1137 PolarHBondContact O-N 3.37Å; N1134-E1138 PolarHBondContact O-N 2.74Å
1135N81.4Confident77.7Confident101 Ų10193.3 Ų93.354%0.5450%0.496SS..Hα-helixtrans-63.1-43.2172.5-70.4-29.3000111.7T1131 V1132 L1133 L1137 E1138 E1139T1131-N1135 WeakPolarHBondContact O-CB 3.42Å; T1131-N1135 PolarHBondContact O-N 2.72Å; T1131-N1135 PolarHBondContact O-ND2 3.49Å; V1132-N1135 PolarHBondContact O-N 3.46Å; L1133-N1135 VanDerWaalsContact C-N 3.34Å; L1133-N1135 PolarHBondContact O-N 2.73Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å; N1135-L1137 PolarHBondContact O-N 3.5Å; N1135-E1138 PolarHBondContact O-N 2.8Å; N1135-E1139 PolarHBondContact O-N 3.49Å
1136T77.7Confident77.7Confident80 Ų8092.4 Ų92.449%0.49150%0.499SS..Hα-helixtrans-68.5-28.8175.545.90000113.5V1132 L1133 S1140V1132-T1136 PolarHBondContact O-N 3.36Å; V1132-T1136 PolarHBondContact O-OG1 3.09Å; L1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; L1133-T1136 CarbonylContact O-C 3.55Å; L1133-T1136 PolarHBondContact O-N 3.45Å; L1133-T1136 VanDerWaalsContact O-N 3.15Å; L1133-T1136 PolarHBondContact O-OG1 3.28Å; T1136-S1140 WeakPolarHBondContact O-CB 3.39Å; T1136-S1140 PolarHBondContact O-N 2.77Å
1137L74.8Confident77.6Confident93 Ų9392.1 Ų92.149%0.48750%0.497SS..Hα-helixtrans-70.3-44.7172.9-171.963.5000110.7L1133 N1134 N1135 E1139 S1140 D1141L1133-L1137 WeakPolarHBondContact O-CB 3.35Å; L1133-L1137 PolarHBondContact O-N 3.41Å; N1134-L1137 PolarHBondContact O-N 3.37Å; N1135-L1137 VanDerWaalsContact C-N 3.32Å; N1135-L1137 PolarHBondContact O-N 3.5Å; L1137-E1139 VanDerWaalsContact C-N 3.26Å; L1137-E1139 PolarHBondContact O-N 3.19Å; L1137-S1140 CarbonylContact O-C 3.56Å; L1137-S1140 WeakPolarHBondContact O-CA 3.21Å; L1137-S1140 WeakPolarHBondContact O-CB 3.34Å; L1137-S1140 PolarHBondContact O-N 3.3Å; L1137-D1141 PolarHBondContact O-N 2.72Å
1138E77.1Confident77.5Confident108 Ų10892.9 Ų92.951%0.50550%0.499SS..Hα-helixtrans-63.8-31.2174.2-156.2-159.7121.400112.1N1134 N1135 K1142N1134-E1138 PolarHBondContact O-N 2.74Å; N1135-E1138 PolarHBondContact O-N 2.8Å; E1138-K1142 VanDerWaalsContact CD-NZ 3.35Å; E1138-K1142 WeakPolarHBondContact O-CD 3.37Å; E1138-K1142 VanDerWaalsContact O-CE 3.3Å; E1138-K1142 WeakPolarHBondContact O-CE 3.26Å; E1138-K1142 WeakPolarHBondContact O-CG 3.34Å; E1138-K1142 PolarHBondContact O-N 2.85Å; E1138-K1142 PolarHBondContact O-NZ 3.42Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.45Å; E1138-K1142 IonicContact OE1-NZ 2.78Å; E1138-K1142 PolarHBondContact OE1-NZ 2.78Å
1139E74.7Confident77.6Confident121 Ų12191.7 Ų91.757%0.56550%0.499SS*.Hα-helixtrans-68.8-41.7170.4-148.378.8-102.300111.4N1135 L1137 K1142 V1143N1135-E1139 PolarHBondContact O-N 3.49Å; L1137-E1139 VanDerWaalsContact C-N 3.26Å; L1137-E1139 PolarHBondContact O-N 3.19Å; E1139-K1142 PolarHBondContact O-N 2.8Å; E1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; E1139-V1143 PolarHBondContact O-N 3.48Å; E1139-V1143 VanDerWaalsContact O-N 3.11Å
1140S71.6Confident77.7Confident58 Ų5888.4 Ų88.441%0.40648%0.484SS..Hα-helixtrans-62.6-45.8175.2-174.70000111.8T1136 L1137 K1142 V1143 V1144T1136-S1140 WeakPolarHBondContact O-CB 3.39Å; T1136-S1140 PolarHBondContact O-N 2.77Å; L1137-S1140 CarbonylContact O-C 3.56Å; L1137-S1140 WeakPolarHBondContact O-CA 3.21Å; L1137-S1140 WeakPolarHBondContact O-CB 3.34Å; L1137-S1140 PolarHBondContact O-N 3.3Å; S1140-K1142 VanDerWaalsContact C-N 3.29Å; S1140-K1142 PolarHBondContact O-N 3.21Å; S1140-V1143 CarbonylContact O-C 3.49Å; S1140-V1143 WeakPolarHBondContact O-CA 3.42Å; S1140-V1143 WeakPolarHBondContact O-CB 3.42Å; S1140-V1143 PolarHBondContact O-N 2.84Å; S1140-V1144 WeakPolarHBondContact O-CG2 3.28Å; S1140-V1144 PolarHBondContact O-N 3.29Å
1141D76.6Confident77.5Confident87 Ų8790 Ų9047%0.46549%0.486SS..Hα-helixtrans-64-33.2179-71.2-19.2000112.2L1137 S1145L1137-D1141 PolarHBondContact O-N 2.72Å; D1141-S1145 VanDerWaalsContact O-CB 3.25Å; D1141-S1145 WeakPolarHBondContact O-CB 3.48Å; D1141-S1145 PolarHBondContact O-N 3.36Å; D1141-S1145 PolarHBondContact O-OG 3Å
1142K82.8Confident77.5Confident94 Ų9491.4 Ų91.441%0.40949%0.488SS..Hα-helixtrans-66.3-40.2170.5-69.8159.9-163.3145.80111.8E1138 E1139 S1140 S1146E1138-K1142 VanDerWaalsContact CD-NZ 3.35Å; E1138-K1142 WeakPolarHBondContact O-CD 3.37Å; E1138-K1142 VanDerWaalsContact O-CE 3.3Å; E1138-K1142 WeakPolarHBondContact O-CE 3.26Å; E1138-K1142 WeakPolarHBondContact O-CG 3.34Å; E1138-K1142 PolarHBondContact O-N 2.85Å; E1138-K1142 PolarHBondContact O-NZ 3.42Å; E1138-K1142 WeakPolarHBondContact OE1-CE 3.45Å; E1138-K1142 IonicContact OE1-NZ 2.78Å; E1138-K1142 PolarHBondContact OE1-NZ 2.78Å; E1139-K1142 PolarHBondContact O-N 2.8Å; S1140-K1142 VanDerWaalsContact C-N 3.29Å; S1140-K1142 PolarHBondContact O-N 3.21Å; K1142-S1146 WeakPolarHBondContact O-CB 3.17Å; K1142-S1146 PolarHBondContact O-N 2.82Å
1143V79.3Confident77.5Confident85 Ų8592.1 Ų92.152%0.51549%0.485SS..Hα-helixtrans-67.1-44.2175.61720000111.1E1139 S1140 S1146 L1147E1139-V1143 WeakPolarHBondContact O-CG2 3.32Å; E1139-V1143 PolarHBondContact O-N 3.48Å; E1139-V1143 VanDerWaalsContact O-N 3.11Å; S1140-V1143 CarbonylContact O-C 3.49Å; S1140-V1143 WeakPolarHBondContact O-CA 3.42Å; S1140-V1143 WeakPolarHBondContact O-CB 3.42Å; S1140-V1143 PolarHBondContact O-N 2.84Å; V1143-S1146 PolarHBondContact O-N 2.82Å; V1143-L1147 HydrophobicContact CG1-CD1 4.03Å; V1143-L1147 WeakPolarHBondContact O-CB 3.4Å; V1143-L1147 WeakPolarHBondContact O-CG 3.3Å; V1143-L1147 PolarHBondContact O-N 2.86Å
1144V75.1Confident77.6Confident84 Ų8492.8 Ų92.851%0.50949%0.489SS..Hα-helixtrans-61.5-45.5174.8172.20000110.8S1140 S1146 L1147 N1148S1140-V1144 WeakPolarHBondContact O-CG2 3.28Å; S1140-V1144 PolarHBondContact O-N 3.29Å; V1144-S1146 VanDerWaalsContact C-N 3.34Å; V1144-S1146 PolarHBondContact O-N 3.22Å; V1144-L1147 PolarHBondContact O-N 3.44Å; V1144-L1147 VanDerWaalsContact O-N 3.14Å; V1144-N1148 PolarHBondContact O-N 3.18Å
1145S77.9Confident77.5Confident73 Ų7393.1 Ų93.151%0.5149%0.487SS..Hα-helixtrans-58.1-45.9174.6-610000111.4D1141 L1147 N1148 T1149D1141-S1145 VanDerWaalsContact O-CB 3.25Å; D1141-S1145 WeakPolarHBondContact O-CB 3.48Å; D1141-S1145 PolarHBondContact O-N 3.36Å; D1141-S1145 PolarHBondContact O-OG 3Å; S1145-L1147 VanDerWaalsContact C-N 3.31Å; S1145-L1147 PolarHBondContact O-N 2.66Å; S1145-N1148 PolarHBondContact O-N 3.48Å; S1145-T1149 PolarHBondContact O-N 3.4Å; S1145-T1149 PolarHBondContact O-OG1 2.84Å
1146S79.7Confident77.5Confident60 Ų6091.9 Ų91.942%0.4249%0.487SS..Hα-helixtrans-65.3-31.8176.8-177.60000113.2K1142 V1143 V1144 K1150K1142-S1146 WeakPolarHBondContact O-CB 3.17Å; K1142-S1146 PolarHBondContact O-N 2.82Å; V1143-S1146 PolarHBondContact O-N 2.82Å; V1144-S1146 VanDerWaalsContact C-N 3.34Å; V1144-S1146 PolarHBondContact O-N 3.22Å; S1146-K1150 WeakPolarHBondContact O-CG 3.21Å; S1146-K1150 PolarHBondContact O-N 3.41Å
1147L74.5Confident77.6Confident106 Ų10693.6 Ų93.656%0.55549%0.489SS*.Hα-helixtrans-73.2-40.9174.5-75.1169000111.3V1143 V1144 S1145 K1150 Y1151V1143-L1147 HydrophobicContact CG1-CD1 4.03Å; V1143-L1147 WeakPolarHBondContact O-CB 3.4Å; V1143-L1147 WeakPolarHBondContact O-CG 3.3Å; V1143-L1147 PolarHBondContact O-N 2.86Å; V1144-L1147 PolarHBondContact O-N 3.44Å; V1144-L1147 VanDerWaalsContact O-N 3.14Å; S1145-L1147 VanDerWaalsContact C-N 3.31Å; S1145-L1147 PolarHBondContact O-N 2.66Å; L1147-K1150 CarbonylContact O-C 3.45Å; L1147-K1150 WeakPolarHBondContact O-CB 3.4Å; L1147-K1150 PolarHBondContact O-N 2.87Å; L1147-K1150 VanDerWaalsContact O-N 3.12Å; L1147-Y1151 PolarHBondContact O-N 3.24Å
1148N76.7Confident77.5Confident82 Ų8293.9 Ų93.944%0.43949%0.491SS..Hα-helixtrans-63.5-42.1175.2-166.476.1000111.5V1144 S1145 K1150 Y1151 E1152V1144-N1148 PolarHBondContact O-N 3.18Å; S1145-N1148 PolarHBondContact O-N 3.48Å; N1148-K1150 VanDerWaalsContact C-N 3.26Å; N1148-K1150 PolarHBondContact O-N 3.33Å; N1148-Y1151 WeakPolarHBondContact O-CB 3.48Å; N1148-Y1151 PolarHBondContact O-N 3.38Å; N1148-Y1151 VanDerWaalsContact O-N 3.1Å; N1148-E1152 PolarHBondContact ND2-OE1 2.66Å; N1148-E1152 PolarHBondContact O-N 2.86Å
1149T82.6Confident77.5Confident72 Ų7294.5 Ų94.544%0.44249%0.494SS..Hα-helixtrans-60.2-34.7172.7-48.10000112.5S1145 Q1153S1145-T1149 PolarHBondContact O-N 3.4Å; S1145-T1149 PolarHBondContact O-OG1 2.84Å; T1149-Q1153 VanDerWaalsContact O-CG 3.29Å; T1149-Q1153 WeakPolarHBondContact O-CG 3.38Å; T1149-Q1153 PolarHBondContact O-N 2.94Å
1150K80.8Confident78Confident81 Ų8194 Ų9435%0.35249%0.49SS..Hα-helixtrans-72.7-35.6173.7-76.9-178.9177.4-176.20112.5S1146 L1147 N1148 Q1153 L1154S1146-K1150 WeakPolarHBondContact O-CG 3.21Å; S1146-K1150 PolarHBondContact O-N 3.41Å; L1147-K1150 CarbonylContact O-C 3.45Å; L1147-K1150 WeakPolarHBondContact O-CB 3.4Å; L1147-K1150 PolarHBondContact O-N 2.87Å; L1147-K1150 VanDerWaalsContact O-N 3.12Å; N1148-K1150 VanDerWaalsContact C-N 3.26Å; N1148-K1150 PolarHBondContact O-N 3.33Å; K1150-Q1153 PolarHBondContact O-N 3.09Å; K1150-L1154 WeakPolarHBondContact O-CB 3.35Å; K1150-L1154 PolarHBondContact O-N 3.37Å
1151Y72.4Confident78.2Confident142 Ų14295.5 Ų95.556%0.55750%0.496SS*.Hα-helixtrans-62.9-48.7174.7178.3-92.2000111.3L1147 N1148 Q1153 L1154 Q1155L1147-Y1151 PolarHBondContact O-N 3.24Å; N1148-Y1151 WeakPolarHBondContact O-CB 3.48Å; N1148-Y1151 PolarHBondContact O-N 3.38Å; N1148-Y1151 VanDerWaalsContact O-N 3.1Å; Y1151-Q1153 VanDerWaalsContact C-N 3.32Å; Y1151-Q1153 PolarHBondContact O-N 2.76Å; Y1151-L1154 PolarHBondContact O-N 2.82Å; Y1151-Q1155 WeakPolarHBondContact O-CB 3.46Å; Y1151-Q1155 PolarHBondContact O-N 3.46Å
1152E78Confident78Confident108 Ų10896.8 Ų96.851%0.50550%0.499SS..Hα-helixtrans-60-39.7175.9-71.2172.8-170.100112.3N1148 Q1155 S1156N1148-E1152 PolarHBondContact ND2-OE1 2.66Å; N1148-E1152 PolarHBondContact O-N 2.86Å; E1152-Q1155 PolarHBondContact O-N 2.69Å; E1152-S1156 PolarHBondContact O-N 2.85Å
1153Q81.3Confident78.1Confident106 Ų10697.5 Ų97.550%0.49551%0.507SS..Hα-helixtrans-64.5-44.2174.4-75.1173.614.500112.4T1149 K1150 Y1151 Q1155 S1156 E1157T1149-Q1153 VanDerWaalsContact O-CG 3.29Å; T1149-Q1153 WeakPolarHBondContact O-CG 3.38Å; T1149-Q1153 PolarHBondContact O-N 2.94Å; K1150-Q1153 PolarHBondContact O-N 3.09Å; Y1151-Q1153 VanDerWaalsContact C-N 3.32Å; Y1151-Q1153 PolarHBondContact O-N 2.76Å; Q1153-Q1155 VanDerWaalsContact C-N 3.34Å; Q1153-Q1155 PolarHBondContact O-N 3.37Å; Q1153-S1156 PolarHBondContact O-N 3.31Å; Q1153-E1157 WeakPolarHBondContact O-CG 3.33Å; Q1153-E1157 PolarHBondContact O-N 2.94Å
1154L77.2Confident78.1Confident125 Ų12598.9 Ų98.965%0.65451%0.508SS*.Hα-helixtrans-63.3-37.7174.4-93.2154000112.4K1150 Y1151 E1157 L1158K1150-L1154 WeakPolarHBondContact O-CB 3.35Å; K1150-L1154 PolarHBondContact O-N 3.37Å; Y1151-L1154 PolarHBondContact O-N 2.82Å; L1154-E1157 PolarHBondContact O-N 3.33Å; L1154-L1158 WeakPolarHBondContact O-CB 3.37Å; L1154-L1158 PolarHBondContact O-N 3.5Å
1155Q75.1Confident78.3Confident89 Ų89100 Ų10042%0.41651%0.507SS..Hα-helixtrans-67.5-38.7176.3-165174.120.900111.6Y1151 E1152 Q1153 L1158 Q1159Y1151-Q1155 WeakPolarHBondContact O-CB 3.46Å; Y1151-Q1155 PolarHBondContact O-N 3.46Å; E1152-Q1155 PolarHBondContact O-N 2.69Å; Q1153-Q1155 VanDerWaalsContact C-N 3.34Å; Q1153-Q1155 PolarHBondContact O-N 3.37Å; Q1155-L1158 PolarHBondContact O-N 2.87Å; Q1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; Q1155-Q1159 PolarHBondContact O-N 3.31Å
1156S81.8Confident78.3Confident75 Ų7598.9 Ų98.952%0.52450%0.503SS..Hα-helixtrans-67.8-39.9173.7-172.60000112.8E1152 Q1153 K1160E1152-S1156 PolarHBondContact O-N 2.85Å; Q1153-S1156 PolarHBondContact O-N 3.31Å; S1156-K1160 WeakPolarHBondContact O-CB 3.33Å; S1156-K1160 PolarHBondContact O-N 3.38Å; S1156-K1160 VanDerWaalsContact O-N 3.12Å
1157E78.8Confident78.5Confident117 Ų117100.3 Ų100.355%0.54751%0.505SS..Hα-helixtrans-64.4-41173.3-74.5-98.9107.100110.9Q1153 L1154 K1160 V1161Q1153-E1157 WeakPolarHBondContact O-CG 3.33Å; Q1153-E1157 PolarHBondContact O-N 2.94Å; L1154-E1157 PolarHBondContact O-N 3.33Å; E1157-K1160 WeakPolarHBondContact O-CB 3.32Å; E1157-K1160 PolarHBondContact O-N 2.88Å; E1157-V1161 WeakPolarHBondContact O-CG2 3.21Å; E1157-V1161 PolarHBondContact O-N 2.82Å
1158L73.3Confident78.8Confident99 Ų9999 Ų9952%0.51850%0.497SS..Hα-helixtrans-61.9-46.3176.5-179.861.7000112.2L1154 Q1155 K1160 V1161 Q1162L1154-L1158 WeakPolarHBondContact O-CB 3.37Å; L1154-L1158 PolarHBondContact O-N 3.5Å; Q1155-L1158 PolarHBondContact O-N 2.87Å; L1158-K1160 VanDerWaalsContact C-N 3.29Å; L1158-K1160 PolarHBondContact O-N 3.26Å; L1158-V1161 PolarHBondContact O-N 2.76Å; L1158-Q1162 HydrophobicContact CD1-CG 4.5Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; L1158-Q1162 VanDerWaalsContact O-CG 3.29Å; L1158-Q1162 WeakPolarHBondContact O-CG 3.45Å; L1158-Q1162 PolarHBondContact O-N 2.98Å
1159Q78.1Confident78.8Confident121 Ų12199.6 Ų99.657%0.56550%0.5SS*.Hα-helixtrans-59.9-39.1175.1-74.9180-1.300112.1Q1155 Q1162 L1163Q1155-Q1159 WeakPolarHBondContact O-CG 3.42Å; Q1155-Q1159 PolarHBondContact O-N 3.31Å; Q1159-Q1162 PolarHBondContact O-N 3.49Å; Q1159-L1163 PolarHBondContact O-N 2.82Å
1160K84Confident78.7Confident111 Ų111100.7 Ų100.748%0.48350%0.5SS..Hα-helixtrans-65.4-45.3176.3-177.5-171.6166.9-149.20111.9S1156 E1157 L1158 Q1162 L1163 E1164S1156-K1160 WeakPolarHBondContact O-CB 3.33Å; S1156-K1160 PolarHBondContact O-N 3.38Å; S1156-K1160 VanDerWaalsContact O-N 3.12Å; E1157-K1160 WeakPolarHBondContact O-CB 3.32Å; E1157-K1160 PolarHBondContact O-N 2.88Å; L1158-K1160 VanDerWaalsContact C-N 3.29Å; L1158-K1160 PolarHBondContact O-N 3.26Å; K1160-Q1162 VanDerWaalsContact C-N 3.33Å; K1160-Q1162 PolarHBondContact O-N 3.46Å; K1160-L1163 PolarHBondContact O-N 3.37Å; K1160-E1164 WeakPolarHBondContact CE-OE1 3.46Å; K1160-E1164 IonicContact NZ-OE1 2.61Å; K1160-E1164 WeakPolarHBondContact O-CG 3.29Å; K1160-E1164 PolarHBondContact O-N 2.8Å
1161V76.5Confident78.8Confident88 Ų88102.2 Ų102.253%0.53351%0.512SS..Hα-helixtrans-63.5-38.4176.1171.70000111.4E1157 L1158 E1164 H1165E1157-V1161 WeakPolarHBondContact O-CG2 3.21Å; E1157-V1161 PolarHBondContact O-N 2.82Å; L1158-V1161 PolarHBondContact O-N 2.76Å; V1161-E1164 PolarHBondContact O-N 2.81Å; V1161-H1165 WeakPolarHBondContact O-CB 3.31Å; V1161-H1165 PolarHBondContact O-N 3.43Å
1162Q72.6Confident79.1Confident114 Ų11499.4 Ų99.453%0.53350%0.501SS..Hα-helixtrans-61.9-41.9173.4-73.5171.2-10.700112L1158 Q1159 K1160 H1165 A1166L1158-Q1162 HydrophobicContact CD1-CG 4.5Å; L1158-Q1162 WeakPolarHBondContact O-CB 3.36Å; L1158-Q1162 VanDerWaalsContact O-CG 3.29Å; L1158-Q1162 WeakPolarHBondContact O-CG 3.45Å; L1158-Q1162 PolarHBondContact O-N 2.98Å; Q1159-Q1162 PolarHBondContact O-N 3.49Å; K1160-Q1162 VanDerWaalsContact C-N 3.33Å; K1160-Q1162 PolarHBondContact O-N 3.46Å; Q1162-H1165 PolarHBondContact O-N 2.79Å; Q1162-A1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-A1166 PolarHBondContact O-N 3.44Å
1163L84.5Confident79.2Confident110 Ų11099.8 Ų99.858%0.57650%0.501SS*.Hα-helixtrans-67.3-41.1175.8-177.361.9000112.4Q1159 K1160 H1165 A1166 N1167Q1159-L1163 PolarHBondContact O-N 2.82Å; K1160-L1163 PolarHBondContact O-N 3.37Å; L1163-H1165 VanDerWaalsContact C-N 3.35Å; L1163-A1166 PolarHBondContact O-N 3.28Å; L1163-N1167 PolarHBondContact O-N 3.46Å; L1163-N1167 PolarHBondContact O-ND2 3.38Å
1164E78.9Confident79.3Confident113 Ų11397.8 Ų97.853%0.52850%0.496SS..Hα-helixtrans-62.7-40.6174.2-73.3179.7-164.700111.5K1160 V1161 N1167 M1168K1160-E1164 WeakPolarHBondContact CE-OE1 3.46Å; K1160-E1164 IonicContact NZ-OE1 2.61Å; K1160-E1164 WeakPolarHBondContact O-CG 3.29Å; K1160-E1164 PolarHBondContact O-N 2.8Å; V1161-E1164 PolarHBondContact O-N 2.81Å; E1164-N1167 PolarHBondContact O-N 2.83Å; E1164-M1168 PolarHBondContact O-N 2.65Å
1165H78.9Confident79.7Confident108 Ų10895.5 Ų95.550%0.548%0.481SS..Hα-helixtrans-65.7-42.3174.9-175.5-129000112.9V1161 Q1162 L1163 N1167 M1168 L1169V1161-H1165 WeakPolarHBondContact O-CB 3.31Å; V1161-H1165 PolarHBondContact O-N 3.43Å; Q1162-H1165 PolarHBondContact O-N 2.79Å; L1163-H1165 VanDerWaalsContact C-N 3.35Å; H1165-N1167 PolarHBondContact O-N 3.05Å; H1165-M1168 VanDerWaalsContact O-CB 3.29Å; H1165-M1168 WeakPolarHBondContact O-CB 2.98Å; H1165-M1168 PolarHBondContact O-N 2.76Å; H1165-M1168 VanDerWaalsContact O-N 3.16Å; H1165-L1169 PolarHBondContact O-N 2.72Å
1166A77.7Confident79.6Confident50 Ų5096.4 Ų96.441%0.41348%0.481SS..Hα-helixtrans-60.8-42.8175.800000112.2Q1162 L1163 M1168 L1169 E1170Q1162-A1166 WeakPolarHBondContact O-CB 3.38Å; Q1162-A1166 PolarHBondContact O-N 3.44Å; L1163-A1166 PolarHBondContact O-N 3.28Å; A1166-M1168 VanDerWaalsContact C-N 3.33Å; A1166-M1168 PolarHBondContact O-N 3.37Å; A1166-L1169 PolarHBondContact O-N 2.7Å; A1166-E1170 PolarHBondContact O-N 2.97Å; A1166-E1170 VanDerWaalsContact O-N 3.12Å
1167N84.3Confident79.7Confident89 Ų8996.1 Ų96.148%0.47648%0.477SS..Hα-helixtrans-64.6-35.8174.3-71.8-45.5000112.3L1163 E1164 H1165 N1171L1163-N1167 PolarHBondContact O-N 3.46Å; L1163-N1167 PolarHBondContact O-ND2 3.38Å; E1164-N1167 PolarHBondContact O-N 2.83Å; H1165-N1167 PolarHBondContact O-N 3.05Å; N1167-N1171 WeakPolarHBondContact O-CB 3.47Å; N1167-N1171 PolarHBondContact O-N 3.36Å; N1167-N1171 VanDerWaalsContact O-N 3.12Å; N1167-N1171 PolarHBondContact O-ND2 3.41Å
1168M81Confident80Confident78 Ų7894.8 Ų94.838%0.38447%0.473SS..Hα-helixtrans-61.4-45.4172.6-111.9-108.8-67.400112.1E1164 H1165 A1166 N1171 Y1172E1164-M1168 PolarHBondContact O-N 2.65Å; H1165-M1168 VanDerWaalsContact O-CB 3.29Å; H1165-M1168 WeakPolarHBondContact O-CB 2.98Å; H1165-M1168 PolarHBondContact O-N 2.76Å; H1165-M1168 VanDerWaalsContact O-N 3.16Å; A1166-M1168 VanDerWaalsContact C-N 3.33Å; A1166-M1168 PolarHBondContact O-N 3.37Å; M1168-N1171 PolarHBondContact O-N 2.82Å; M1168-Y1172 HydrophobicContact CE-CE2 3.97Å; M1168-Y1172 VanDerWaalsContact O-CD2 3.28Å; M1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; M1168-Y1172 PolarHBondContact O-N 2.79Å; M1168-Y1172 HydrophobicContact SD-CD2 4.32Å; M1168-Y1172 HydrophobicContact SD-CE2 3.46Å; M1168-Y1172 WeakPolarHBondContact SD-CE2 3.46Å
1169L77Confident80.5Confident96 Ų9694.4 Ų94.450%0.50347%0.469SS..Hα-helixtrans-64.5-42.7179.5-72.2169.7000112.5H1165 A1166 N1171 Y1172 K1173H1165-L1169 PolarHBondContact O-N 2.72Å; A1166-L1169 PolarHBondContact O-N 2.7Å; L1169-N1171 VanDerWaalsContact C-N 3.32Å; L1169-N1171 PolarHBondContact O-N 3.27Å; L1169-Y1172 PolarHBondContact O-N 3.22Å; L1169-K1173 WeakPolarHBondContact O-CB 3.18Å; L1169-K1173 PolarHBondContact O-N 2.81Å
1170E80.3Confident80.5Confident95 Ų9594.3 Ų94.344%0.44447%0.471SS..Hα-helixtrans-68.5-31.8177.7-16561.2-152.300112.1A1166 K1173 T1174A1166-E1170 PolarHBondContact O-N 2.97Å; A1166-E1170 VanDerWaalsContact O-N 3.12Å; E1170-K1173 IonicContact OE1-NZ 3.3Å; E1170-K1173 PolarHBondContact OE1-NZ 3.49Å; E1170-K1173 IonicContact OE2-NZ 3.39Å; E1170-K1173 PolarHBondContact OE2-NZ 3Å; E1170-T1174 WeakPolarHBondContact O-CB 3.02Å; E1170-T1174 PolarHBondContact O-N 2.98Å; E1170-T1174 PolarHBondContact O-OG1 3.41Å
1171N84.1Confident80.5Confident113 Ų11392.7 Ų92.760%0.60447%0.468SS*.Hα-helixtrans-65-44.9170.4-79.4-43.4000112.4N1167 M1168 L1169 T1174 K1175N1167-N1171 WeakPolarHBondContact O-CB 3.47Å; N1167-N1171 PolarHBondContact O-N 3.36Å; N1167-N1171 VanDerWaalsContact O-N 3.12Å; N1167-N1171 PolarHBondContact O-ND2 3.41Å; M1168-N1171 PolarHBondContact O-N 2.82Å; L1169-N1171 VanDerWaalsContact C-N 3.32Å; L1169-N1171 PolarHBondContact O-N 3.27Å; N1171-T1174 WeakPolarHBondContact O-CB 3.3Å; N1171-T1174 PolarHBondContact O-N 2.89Å; N1171-K1175 PolarHBondContact O-N 3.46Å
1172Y77.9Confident80.9Confident82 Ų8293 Ų9332%0.32247%0.467SS..Hα-helixtrans-64-42.9174.7-77.1-57.3000112.3M1168 L1169 T1174 K1175 Y1176M1168-Y1172 HydrophobicContact CE-CE2 3.97Å; M1168-Y1172 VanDerWaalsContact O-CD2 3.28Å; M1168-Y1172 WeakPolarHBondContact O-CD2 3.49Å; M1168-Y1172 PolarHBondContact O-N 2.79Å; M1168-Y1172 HydrophobicContact SD-CD2 4.32Å; M1168-Y1172 HydrophobicContact SD-CE2 3.46Å; M1168-Y1172 WeakPolarHBondContact SD-CE2 3.46Å; L1169-Y1172 PolarHBondContact O-N 3.22Å; Y1172-T1174 VanDerWaalsContact C-N 3.26Å; Y1172-T1174 PolarHBondContact O-N 3.38Å; Y1172-K1175 WeakPolarHBondContact O-CB 3.37Å; Y1172-K1175 PolarHBondContact O-N 3Å; Y1172-K1175 VanDerWaalsContact O-N 3.14Å; Y1172-Y1176 WeakPolarHBondContact O-CD2 3.34Å; Y1172-Y1176 PolarHBondContact O-N 3.31Å
1173K79.9Confident81.4Confident117 Ų11792.6 Ų92.651%0.50947%0.468SS..Hα-helixtrans-57.3-40.4173.4174.2165.1160.1-106.40111.6L1169 E1170 T1177L1169-K1173 WeakPolarHBondContact O-CB 3.18Å; L1169-K1173 PolarHBondContact O-N 2.81Å; E1170-K1173 IonicContact OE1-NZ 3.3Å; E1170-K1173 PolarHBondContact OE1-NZ 3.49Å; E1170-K1173 IonicContact OE2-NZ 3.39Å; E1170-K1173 PolarHBondContact OE2-NZ 3Å; K1173-T1177 VanDerWaalsContact O-CB 3.3Å; K1173-T1177 WeakPolarHBondContact O-CB 3.37Å; K1173-T1177 PolarHBondContact O-N 2.81Å; K1173-T1177 PolarHBondContact O-OG1 3.24Å
1174T83.7Confident81.2Confident63 Ų6391.5 Ų91.539%0.38746%0.463SS..Hα-helixtrans-66.2-43.7173.5-57.80000112.2E1170 N1171 Y1172 T1177 N1178E1170-T1174 WeakPolarHBondContact O-CB 3.02Å; E1170-T1174 PolarHBondContact O-N 2.98Å; E1170-T1174 PolarHBondContact O-OG1 3.41Å; N1171-T1174 WeakPolarHBondContact O-CB 3.3Å; N1171-T1174 PolarHBondContact O-N 2.89Å; Y1172-T1174 VanDerWaalsContact C-N 3.26Å; Y1172-T1174 PolarHBondContact O-N 3.38Å; T1174-T1177 PolarHBondContact O-N 3.44Å; T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 3.12Å
1175K85.8Confident81.5Confident78 Ų7892.5 Ų92.534%0.33947%0.465SS..Hα-helixtrans-55.5-56.9174.7175.5-174.6175.4-720111.3N1171 Y1172 T1177 N1178 E1179N1171-K1175 PolarHBondContact O-N 3.46Å; Y1172-K1175 WeakPolarHBondContact O-CB 3.37Å; Y1172-K1175 PolarHBondContact O-N 3Å; Y1172-K1175 VanDerWaalsContact O-N 3.14Å; K1175-T1177 VanDerWaalsContact C-N 3.3Å; K1175-T1177 PolarHBondContact O-N 2.98Å; K1175-N1178 PolarHBondContact O-N 3.02Å; K1175-N1178 VanDerWaalsContact O-N 3.1Å; K1175-E1179 WeakPolarHBondContact CE-OE1 3.25Å; K1175-E1179 WeakPolarHBondContact CG-OE1 3.38Å; K1175-E1179 IonicContact NZ-OE1 3.2Å; K1175-E1179 PolarHBondContact NZ-OE1 3.48Å; K1175-E1179 IonicContact NZ-OE2 3.88Å; K1175-E1179 PolarHBondContact NZ-OE2 3.4Å; K1175-E1179 WeakPolarHBondContact O-CG 3.27Å; K1175-E1179 PolarHBondContact O-N 3.39Å
1176Y73.5Confident81.8Confident108 Ų10891.9 Ų91.942%0.42446%0.461SS..Hα-helixtrans-65.6-31.9-178.1-66.1-58.6000112.8E700 Y1172 N1178 E1179 L1180E700-Y1176 PolarHBondContact OE1-OH 2.82Å; Y1172-Y1176 WeakPolarHBondContact O-CD2 3.34Å; Y1172-Y1176 PolarHBondContact O-N 3.31Å; Y1176-N1178 VanDerWaalsContact C-N 3.34Å; Y1176-E1179 VanDerWaalsContact CD1-OE2 3.28Å; Y1176-E1179 WeakPolarHBondContact CD1-OE2 3.42Å; Y1176-E1179 PolarHBondContact O-N 3.28Å; Y1176-L1180 VanDerWaalsContact O-CB 3.27Å; Y1176-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1176-L1180 PolarHBondContact O-N 2.88Å
1177T82Confident81.9Confident69 Ų6996.1 Ų96.142%0.42347%0.467SS..Hα-helixtrans-64.9-38.2173-58.70000111.7K1173 T1174 K1175 N1181K1173-T1177 VanDerWaalsContact O-CB 3.3Å; K1173-T1177 WeakPolarHBondContact O-CB 3.37Å; K1173-T1177 PolarHBondContact O-N 2.81Å; K1173-T1177 PolarHBondContact O-OG1 3.24Å; T1174-T1177 PolarHBondContact O-N 3.44Å; K1175-T1177 VanDerWaalsContact C-N 3.3Å; K1175-T1177 PolarHBondContact O-N 2.98Å; T1177-N1181 WeakPolarHBondContact O-CB 3.4Å; T1177-N1181 PolarHBondContact O-N 3.07Å; T1177-N1181 PolarHBondContact O-ND2 3.36Å
1178N85.1Confident81.6Confident88 Ų8895.4 Ų95.447%0.47146%0.461SS..Hα-helixtrans-70-43.6175.2-69.6-28.7000111.9T1174 K1175 Y1176 L1180 N1181 D1182T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 3.12Å; K1175-N1178 PolarHBondContact O-N 3.02Å; K1175-N1178 VanDerWaalsContact O-N 3.1Å; Y1176-N1178 VanDerWaalsContact C-N 3.34Å; N1178-L1180 VanDerWaalsContact C-N 3.34Å; N1178-L1180 PolarHBondContact O-N 2.91Å; N1178-N1181 PolarHBondContact O-N 2.89Å; N1178-D1182 PolarHBondContact O-N 2.89Å
1179E84.1Confident81.7Confident91 Ų9197 Ų9743%0.42547%0.469SS..Hα-helixtrans-61.3-41176.1-71.2168.6176.900111.8K1175 Y1176 D1182 L1183K1175-E1179 WeakPolarHBondContact CE-OE1 3.25Å; K1175-E1179 WeakPolarHBondContact CG-OE1 3.38Å; K1175-E1179 IonicContact NZ-OE1 3.2Å; K1175-E1179 PolarHBondContact NZ-OE1 3.48Å; K1175-E1179 IonicContact NZ-OE2 3.88Å; K1175-E1179 PolarHBondContact NZ-OE2 3.4Å; K1175-E1179 WeakPolarHBondContact O-CG 3.27Å; K1175-E1179 PolarHBondContact O-N 3.39Å; Y1176-E1179 VanDerWaalsContact CD1-OE2 3.28Å; Y1176-E1179 WeakPolarHBondContact CD1-OE2 3.42Å; Y1176-E1179 PolarHBondContact O-N 3.28Å; E1179-D1182 PolarHBondContact O-N 3.39Å; E1179-L1183 WeakPolarHBondContact O-CB 3.46Å; E1179-L1183 PolarHBondContact O-N 3.16Å
1180L79.4Confident81.9Confident119 Ų11996.7 Ų96.762%0.62347%0.465SS*.Hα-helixtrans-63.7-41.8173.6-171.173000112Y1176 N1178 L1183 N1184Y1176-L1180 VanDerWaalsContact O-CB 3.27Å; Y1176-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1176-L1180 PolarHBondContact O-N 2.88Å; N1178-L1180 VanDerWaalsContact C-N 3.34Å; N1178-L1180 PolarHBondContact O-N 2.91Å; L1180-L1183 PolarHBondContact O-N 2.85Å; L1180-N1184 VanDerWaalsContact O-CB 3.31Å; L1180-N1184 WeakPolarHBondContact O-CB 3.43Å; L1180-N1184 PolarHBondContact O-N 2.9Å
1181N83.2Confident81.8Confident77 Ų7796.1 Ų96.141%0.41246%0.461SS..Hα-helixtrans-64.9-39.8177-82.6-47.3000112.4T1177 N1178 N1184 K1185T1177-N1181 WeakPolarHBondContact O-CB 3.4Å; T1177-N1181 PolarHBondContact O-N 3.07Å; T1177-N1181 PolarHBondContact O-ND2 3.36Å; N1178-N1181 PolarHBondContact O-N 2.89Å; N1181-N1184 PolarHBondContact O-N 3.4Å; N1181-K1185 WeakPolarHBondContact O-CG 3.34Å; N1181-K1185 PolarHBondContact O-N 3.33Å
1182D85.4Confident81.6Confident94 Ų9494 Ų9450%0.50346%0.455SS..Hα-helixtrans-74.4-34.5177.5-75.5-17.6000112.4N1178 E1179 N1184 K1185 K1186N1178-D1182 PolarHBondContact O-N 2.89Å; E1179-D1182 PolarHBondContact O-N 3.39Å; D1182-N1184 VanDerWaalsContact C-N 3.34Å; D1182-K1185 PolarHBondContact O-N 2.89Å; D1182-K1185 WeakPolarHBondContact OD1-CE 3.42Å; D1182-K1185 IonicContact OD1-NZ 2.76Å; D1182-K1185 PolarHBondContact OD1-NZ 3.29Å; D1182-K1186 PolarHBondContact O-N 3.34Å
1183L82.1Confident81.8Confident106 Ų10695.8 Ų95.856%0.55547%0.466SS*.Hα-helixtrans-64.1-39.1169.8-174.762.1000111.7E1179 L1180 K1186 Y1187E1179-L1183 WeakPolarHBondContact O-CB 3.46Å; E1179-L1183 PolarHBondContact O-N 3.16Å; L1180-L1183 PolarHBondContact O-N 2.85Å; L1183-K1186 WeakPolarHBondContact O-CB 3.26Å; L1183-K1186 PolarHBondContact O-N 3.28Å; L1183-Y1187 PolarHBondContact O-N 3.36Å
1184N81.1Confident81.6Confident88 Ų8893.9 Ų93.947%0.47147%0.467SS..Hα-helixtrans-66.9-40.1176.1-167.831.4000112.1L1180 N1181 D1182 K1186 Y1187 E1188L1180-N1184 VanDerWaalsContact O-CB 3.31Å; L1180-N1184 WeakPolarHBondContact O-CB 3.43Å; L1180-N1184 PolarHBondContact O-N 2.9Å; N1181-N1184 PolarHBondContact O-N 3.4Å; D1182-N1184 VanDerWaalsContact C-N 3.34Å; N1184-K1186 VanDerWaalsContact C-N 3.32Å; N1184-K1186 PolarHBondContact O-N 2.88Å; N1184-Y1187 PolarHBondContact O-N 2.86Å; N1184-E1188 PolarHBondContact O-N 3.46Å
1185K85.4Confident81.4Confident133 Ų13395.2 Ų95.258%0.57847%0.471SS*.Hα-helixtrans-59.6-42.3170.4-69.6167.3-159161.80111.7N1181 D1182 M1189N1181-K1185 WeakPolarHBondContact O-CG 3.34Å; N1181-K1185 PolarHBondContact O-N 3.33Å; D1182-K1185 PolarHBondContact O-N 2.89Å; D1182-K1185 WeakPolarHBondContact OD1-CE 3.42Å; D1182-K1185 IonicContact OD1-NZ 2.76Å; D1182-K1185 PolarHBondContact OD1-NZ 3.29Å; K1185-M1189 VanDerWaalsContact O-CB 3.28Å; K1185-M1189 WeakPolarHBondContact O-CB 3.36Å; K1185-M1189 PolarHBondContact O-N 2.81Å
1186K86Confident81.2Confident95 Ų9598 Ų9841%0.41349%0.485SS..Hα-helixtrans-63-45.1176.2-177.4178177.1-66.50111.3D1182 L1183 N1184 M1189 E1190D1182-K1186 PolarHBondContact O-N 3.34Å; L1183-K1186 WeakPolarHBondContact O-CB 3.26Å; L1183-K1186 PolarHBondContact O-N 3.28Å; N1184-K1186 VanDerWaalsContact C-N 3.32Å; N1184-K1186 PolarHBondContact O-N 2.88Å; K1186-M1189 PolarHBondContact O-N 2.81Å; K1186-E1190 VanDerWaalsContact CE-OE1 3.3Å; K1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; K1186-E1190 IonicContact NZ-OE1 2.65Å; K1186-E1190 PolarHBondContact NZ-OE1 2.89Å; K1186-E1190 IonicContact NZ-OE2 3.56Å; K1186-E1190 PolarHBondContact NZ-OE2 3.31Å; K1186-E1190 WeakPolarHBondContact O-CB 3.49Å; K1186-E1190 WeakPolarHBondContact O-CG 3.4Å; K1186-E1190 PolarHBondContact O-N 2.84Å
1187Y79.9Confident81.5Confident139 Ų13997.9 Ų97.955%0.54549%0.488SS..Hα-helixtrans-60.5-49.7176.6175.9-101000112.4L1183 N1184 M1189 E1190 K1191L1183-Y1187 PolarHBondContact O-N 3.36Å; N1184-Y1187 PolarHBondContact O-N 2.86Å; Y1187-M1189 VanDerWaalsContact C-N 3.28Å; Y1187-M1189 PolarHBondContact O-N 3.34Å; Y1187-E1190 PolarHBondContact O-N 2.69Å; Y1187-K1191 HydrophobicContact CE1-CD 3.92Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.33Å; Y1187-K1191 PolarHBondContact O-N 2.81Å
1188E77.9Confident81.4Confident75 Ų7597.4 Ų97.435%0.3548%0.483SS..Hα-helixtrans-65.8-30178.3-72-63.2134.300112.7N1184 K1191 S1192N1184-E1188 PolarHBondContact O-N 3.46Å; E1188-K1191 WeakPolarHBondContact OE1-CD 3.4Å; E1188-K1191 IonicContact OE1-NZ 3.86Å; E1188-K1191 PolarHBondContact OE1-NZ 3.25Å; E1188-K1191 IonicContact OE2-NZ 3.17Å; E1188-K1191 PolarHBondContact OE2-NZ 3.5Å; E1188-S1192 VanDerWaalsContact O-CB 3.31Å; E1188-S1192 WeakPolarHBondContact O-CB 3.45Å; E1188-S1192 PolarHBondContact O-N 3.35Å; E1188-S1192 PolarHBondContact O-OG 2.93Å
1189M82.3Confident81.2Confident110 Ų11097.2 Ų97.254%0.54248%0.482SS..Hα-helixtrans-69.4-46.6172178.4168.754.700112.4K1185 K1186 Y1187 S1192 Q1193K1185-M1189 VanDerWaalsContact O-CB 3.28Å; K1185-M1189 WeakPolarHBondContact O-CB 3.36Å; K1185-M1189 PolarHBondContact O-N 2.81Å; K1186-M1189 PolarHBondContact O-N 2.81Å; Y1187-M1189 VanDerWaalsContact C-N 3.28Å; Y1187-M1189 PolarHBondContact O-N 3.34Å; M1189-S1192 WeakPolarHBondContact O-CB 3.1Å; M1189-S1192 PolarHBondContact O-N 3.02Å; M1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; M1189-Q1193 PolarHBondContact O-N 2.71Å
1190E80.3Confident81.3Confident90 Ų9096.7 Ų96.742%0.42149%0.485SS..Hα-helixtrans-66-39.1177.2-73.3173.4163.100111.6K1186 Y1187 Q1193 C1194K1186-E1190 VanDerWaalsContact CE-OE1 3.3Å; K1186-E1190 WeakPolarHBondContact CE-OE1 3.46Å; K1186-E1190 IonicContact NZ-OE1 2.65Å; K1186-E1190 PolarHBondContact NZ-OE1 2.89Å; K1186-E1190 IonicContact NZ-OE2 3.56Å; K1186-E1190 PolarHBondContact NZ-OE2 3.31Å; K1186-E1190 WeakPolarHBondContact O-CB 3.49Å; K1186-E1190 WeakPolarHBondContact O-CG 3.4Å; K1186-E1190 PolarHBondContact O-N 2.84Å; Y1187-E1190 PolarHBondContact O-N 2.69Å; E1190-Q1193 PolarHBondContact O-N 3.3Å; E1190-C1194 WeakPolarHBondContact O-CB 3.38Å; E1190-C1194 PolarHBondContact O-N 2.95Å
1191K79.5Confident81.3Confident83 Ų8394.5 Ų94.536%0.36147%0.471SS..Hα-helixtrans-61.1-42.7170.7176-175.7167.5-153.20111.9Y1187 E1188 C1194 I1195Y1187-K1191 HydrophobicContact CE1-CD 3.92Å; Y1187-K1191 WeakPolarHBondContact O-CB 3.33Å; Y1187-K1191 PolarHBondContact O-N 2.81Å; E1188-K1191 WeakPolarHBondContact OE1-CD 3.4Å; E1188-K1191 IonicContact OE1-NZ 3.86Å; E1188-K1191 PolarHBondContact OE1-NZ 3.25Å; E1188-K1191 IonicContact OE2-NZ 3.17Å; E1188-K1191 PolarHBondContact OE2-NZ 3.5Å; K1191-C1194 PolarHBondContact O-N 3.08Å; K1191-I1195 HydrophobicContact CG-CD1 4.17Å; K1191-I1195 VanDerWaalsContact O-CG1 3.29Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 2.82Å
1192S79.9Confident81.1Confident69 Ų6996.4 Ų96.448%0.48348%0.477SS..Hα-helixtrans-63.8-44.5175.4-62.20000111.8E1188 M1189 C1194 I1195 E1196E1188-S1192 VanDerWaalsContact O-CB 3.31Å; E1188-S1192 WeakPolarHBondContact O-CB 3.45Å; E1188-S1192 PolarHBondContact O-N 3.35Å; E1188-S1192 PolarHBondContact O-OG 2.93Å; M1189-S1192 WeakPolarHBondContact O-CB 3.1Å; M1189-S1192 PolarHBondContact O-N 3.02Å; S1192-C1194 PolarHBondContact O-N 3.02Å; S1192-I1195 PolarHBondContact O-N 3.43Å; S1192-E1196 PolarHBondContact O-N 2.71Å
1193Q82.3Confident80.9Confident120 Ų12098.5 Ų98.556%0.56148%0.484SS*.Hα-helixtrans-62.7-40.5174.6-73.9-178.4-24.500112.4M1189 E1190 E1196 Q1197M1189-Q1193 WeakPolarHBondContact O-CG 3.29Å; M1189-Q1193 PolarHBondContact O-N 2.71Å; E1190-Q1193 PolarHBondContact O-N 3.3Å; Q1193-E1196 PolarHBondContact O-N 3.4Å; Q1193-Q1197 WeakPolarHBondContact O-CB 3.41Å; Q1193-Q1197 PolarHBondContact O-N 3.24Å
1194C74.9Confident81Confident76 Ų7696.9 Ų96.951%0.51448%0.478SS..Hα-helixtrans-62.8-42.8176-173.50000111.8E1190 K1191 S1192 L1198E1190-C1194 WeakPolarHBondContact O-CB 3.38Å; E1190-C1194 PolarHBondContact O-N 2.95Å; K1191-C1194 PolarHBondContact O-N 3.08Å; S1192-C1194 PolarHBondContact O-N 3.02Å; C1194-L1198 WeakPolarHBondContact O-CB 3.43Å; C1194-L1198 PolarHBondContact O-N 2.9Å
1195I79.9Confident81Confident92 Ų9295.3 Ų95.347%0.47248%0.478SS..Hα-helixtrans-64.4-41.5174.8-69164.2000111.1K1191 S1192 N1199K1191-I1195 HydrophobicContact CG-CD1 4.17Å; K1191-I1195 VanDerWaalsContact O-CG1 3.29Å; K1191-I1195 WeakPolarHBondContact O-CG1 3.37Å; K1191-I1195 PolarHBondContact O-N 2.82Å; S1192-I1195 PolarHBondContact O-N 3.43Å; I1195-N1199 WeakPolarHBondContact O-CB 3.29Å; I1195-N1199 VanDerWaalsContact O-CG 3.26Å; I1195-N1199 PolarHBondContact O-N 2.96Å; I1195-N1199 PolarHBondContact O-ND2 3.15Å; I1195-N1199 VanDerWaalsContact O-ND2 3.07Å
1196E80.7Confident80.7Confident136 Ų13695.1 Ų95.164%0.63648%0.482SS*.Hα-helixtrans-65.2-46.8177.3-170.8167.2-147.600111.8S1192 Q1193 N1199 V1200S1192-E1196 PolarHBondContact O-N 2.71Å; Q1193-E1196 PolarHBondContact O-N 3.4Å; E1196-N1199 PolarHBondContact O-N 2.83Å; E1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; E1196-V1200 PolarHBondContact O-N 3.28Å
1197Q80.2Confident80.7Confident105 Ų10597.2 Ų97.249%0.49149%0.492SS..Hα-helixtrans-62.7-45.1176-177.1177.3-27.100111.9Q1193 N1199 V1200 E1201Q1193-Q1197 WeakPolarHBondContact O-CB 3.41Å; Q1193-Q1197 PolarHBondContact O-N 3.24Å; Q1197-N1199 VanDerWaalsContact C-N 3.29Å; Q1197-N1199 PolarHBondContact O-N 3.06Å; Q1197-V1200 PolarHBondContact O-N 3.39Å; Q1197-V1200 VanDerWaalsContact O-N 3.1Å; Q1197-E1201 HydrophobicContact CG-CG 4.49Å; Q1197-E1201 PolarHBondContact NE2-OE1 2.88Å; Q1197-E1201 PolarHBondContact O-N 3.45Å
1198L80.4Confident80.9Confident59 Ų5995 Ų9531%0.30949%0.489SS..Hα-helixtrans-67.1-31.1-179.7-167.7147.8000111.8C1194 H1202 F1602C1194-L1198 WeakPolarHBondContact O-CB 3.43Å; C1194-L1198 PolarHBondContact O-N 2.9Å; L1198-H1202 VanDerWaalsContact CD2-CE1 3.44Å; L1198-H1202 WeakPolarHBondContact CD2-CE1 3.35Å; L1198-H1202 WeakPolarHBondContact O-CB 3.31Å; L1198-H1202 PolarHBondContact O-N 2.85Å; L1198-F1602 HydrophobicContact CD1-CE1 4.43Å; L1198-F1602 HydrophobicContact CD1-CZ 4.25Å
1199N81.2Confident81Confident85 Ų8594.3 Ų94.346%0.45550%0.496SS..Hα-helixtrans-66.7-41.7168.8-78.9-35.6000112.4I1195 E1196 Q1197 H1202 Q1203I1195-N1199 WeakPolarHBondContact O-CB 3.29Å; I1195-N1199 VanDerWaalsContact O-CG 3.26Å; I1195-N1199 PolarHBondContact O-N 2.96Å; I1195-N1199 PolarHBondContact O-ND2 3.15Å; I1195-N1199 VanDerWaalsContact O-ND2 3.07Å; E1196-N1199 PolarHBondContact O-N 2.83Å; Q1197-N1199 VanDerWaalsContact C-N 3.29Å; Q1197-N1199 PolarHBondContact O-N 3.06Å; N1199-H1202 PolarHBondContact O-N 2.85Å; N1199-Q1203 WeakPolarHBondContact O-CB 3.41Å; N1199-Q1203 WeakPolarHBondContact O-CG 3.24Å; N1199-Q1203 PolarHBondContact O-N 2.8Å
1200V84.6Confident80.9Confident80 Ų8092.9 Ų92.949%0.48549%0.494SS..Hα-helixtrans-65.6-40.7175.3170.80000111.5E1196 Q1197 Q1203 T1204E1196-V1200 WeakPolarHBondContact O-CG2 3.35Å; E1196-V1200 PolarHBondContact O-N 3.28Å; Q1197-V1200 PolarHBondContact O-N 3.39Å; Q1197-V1200 VanDerWaalsContact O-N 3.1Å; V1200-Q1203 PolarHBondContact O-N 3.19Å; V1200-T1204 VanDerWaalsContact O-CB 3.28Å; V1200-T1204 WeakPolarHBondContact O-CB 3.4Å; V1200-T1204 PolarHBondContact O-N 2.83Å; V1200-T1204 PolarHBondContact O-OG1 3.25Å
1201E79.4Confident80.9Confident73 Ų7392.7 Ų92.734%0.34150%0.496SS..Hα-helixtrans-64.6-44.3174.4-74.4179.9-158.900111.3Q1197 T1204 A1205Q1197-E1201 HydrophobicContact CG-CG 4.49Å; Q1197-E1201 PolarHBondContact NE2-OE1 2.88Å; Q1197-E1201 PolarHBondContact O-N 3.45Å; E1201-T1204 PolarHBondContact O-N 3.28Å; E1201-A1205 VanDerWaalsContact O-CB 3.28Å; E1201-A1205 WeakPolarHBondContact O-CB 3.42Å; E1201-A1205 PolarHBondContact O-N 2.92Å
1202H80Confident81.1Confident116 Ų11692.9 Ų92.954%0.53750%0.504SS..Hα-helixtrans-61.2-46.6173.4-83.4164000112.7L1198 N1199 T1204 A1205 L1206L1198-H1202 VanDerWaalsContact CD2-CE1 3.44Å; L1198-H1202 WeakPolarHBondContact CD2-CE1 3.35Å; L1198-H1202 WeakPolarHBondContact O-CB 3.31Å; L1198-H1202 PolarHBondContact O-N 2.85Å; N1199-H1202 PolarHBondContact O-N 2.85Å; H1202-T1204 VanDerWaalsContact C-N 3.31Å; H1202-T1204 PolarHBondContact O-N 2.96Å; H1202-A1205 PolarHBondContact O-N 3.42Å; H1202-L1206 WeakPolarHBondContact O-CB 3.38Å; H1202-L1206 PolarHBondContact O-N 3.45Å
1203Q80.6Confident81.1Confident139 Ų13992.1 Ų92.165%0.6550%0.502SS*.Hα-helixtrans-60.3-42.3176.1-75.7-179.6100111.6N1199 V1200 L1206 K1207N1199-Q1203 WeakPolarHBondContact O-CB 3.41Å; N1199-Q1203 WeakPolarHBondContact O-CG 3.24Å; N1199-Q1203 PolarHBondContact O-N 2.8Å; V1200-Q1203 PolarHBondContact O-N 3.19Å; Q1203-L1206 PolarHBondContact O-N 2.83Å; Q1203-K1207 WeakPolarHBondContact O-CB 3.42Å; Q1203-K1207 PolarHBondContact O-N 2.88Å
1204T83.8Confident80.9Confident71 Ų7190.5 Ų90.544%0.43650%0.5SS..Hα-helixtrans-66-43178.1-58.20000111.6V1200 E1201 H1202 N1208V1200-T1204 VanDerWaalsContact O-CB 3.28Å; V1200-T1204 WeakPolarHBondContact O-CB 3.4Å; V1200-T1204 PolarHBondContact O-N 2.83Å; V1200-T1204 PolarHBondContact O-OG1 3.25Å; E1201-T1204 PolarHBondContact O-N 3.28Å; H1202-T1204 VanDerWaalsContact C-N 3.31Å; H1202-T1204 PolarHBondContact O-N 2.96Å; T1204-N1208 WeakPolarHBondContact O-CB 3.36Å; T1204-N1208 PolarHBondContact O-N 3.16Å; T1204-N1208 PolarHBondContact O-ND2 3.47Å
1205A81Confident81.2Confident56 Ų5693 Ų9346%0.46350%0.502SS..Hα-helixtrans-65-43175.800000112E1201 H1202 N1208 A1209E1201-A1205 VanDerWaalsContact O-CB 3.28Å; E1201-A1205 WeakPolarHBondContact O-CB 3.42Å; E1201-A1205 PolarHBondContact O-N 2.92Å; H1202-A1205 PolarHBondContact O-N 3.42Å; A1205-N1208 PolarHBondContact O-N 3.36Å; A1205-A1209 WeakPolarHBondContact O-CB 3.36Å; A1205-A1209 PolarHBondContact O-N 3.22Å
1206L80.7Confident81.3Confident128 Ų12891.8 Ų91.867%0.6750%0.5SS*.Hα-helixtrans-62.1-46.2177.3-150.491.3000110.8H1202 Q1203 A1209 V1210H1202-L1206 WeakPolarHBondContact O-CB 3.38Å; H1202-L1206 PolarHBondContact O-N 3.45Å; Q1203-L1206 PolarHBondContact O-N 2.83Å; L1206-A1209 PolarHBondContact O-N 3.41Å; L1206-V1210 WeakPolarHBondContact O-CG2 3.45Å; L1206-V1210 PolarHBondContact O-N 3.09Å
1207K84.3Confident81.1Confident139 Ų13991.4 Ų91.460%0.60450%0.496SS*.Hα-helixtrans-60.4-50.3176.3-177169.1-176.11670111.9Q1203 A1209 V1210 D1211Q1203-K1207 WeakPolarHBondContact O-CB 3.42Å; Q1203-K1207 PolarHBondContact O-N 2.88Å; K1207-A1209 VanDerWaalsContact C-N 3.26Å; K1207-A1209 PolarHBondContact O-N 3.38Å; K1207-V1210 PolarHBondContact O-N 3.03Å; K1207-D1211 WeakPolarHBondContact O-CB 3.43Å; K1207-D1211 PolarHBondContact O-N 3.37Å
1208N84Confident81Confident92 Ų9290.2 Ų90.249%0.49249%0.49SS..Hα-helixtrans-59.6-36.3176.9-73.2-26.5000112.4T1204 A1205 T1212T1204-N1208 WeakPolarHBondContact O-CB 3.36Å; T1204-N1208 PolarHBondContact O-N 3.16Å; T1204-N1208 PolarHBondContact O-ND2 3.47Å; A1205-N1208 PolarHBondContact O-N 3.36Å; N1208-T1212 VanDerWaalsContact O-CB 3.24Å; N1208-T1212 WeakPolarHBondContact O-CB 3.22Å; N1208-T1212 PolarHBondContact O-N 3.4Å; N1208-T1212 PolarHBondContact O-OG1 3.01Å
1209A81.3Confident81.1Confident61 Ų6193.8 Ų93.850%0.50450%0.503SS..Hα-helixtrans-69-43175.700000112.2A1205 L1206 K1207 T1212 A1213A1205-A1209 WeakPolarHBondContact O-CB 3.36Å; A1205-A1209 PolarHBondContact O-N 3.22Å; L1206-A1209 PolarHBondContact O-N 3.41Å; K1207-A1209 VanDerWaalsContact C-N 3.26Å; K1207-A1209 PolarHBondContact O-N 3.38Å; A1209-T1212 PolarHBondContact O-N 2.8Å; A1209-A1213 WeakPolarHBondContact O-CB 3.2Å; A1209-A1213 PolarHBondContact O-N 3.46Å
1210V79Confident81Confident81 Ų8194.9 Ų94.949%0.49151%0.506SS..Hα-helixtrans-62.4-50.7174.5170.10000110.8L1206 K1207 T1212 A1213 V1214L1206-V1210 WeakPolarHBondContact O-CG2 3.45Å; L1206-V1210 PolarHBondContact O-N 3.09Å; K1207-V1210 PolarHBondContact O-N 3.03Å; V1210-T1212 VanDerWaalsContact C-N 3.28Å; V1210-T1212 PolarHBondContact O-N 3.07Å; V1210-A1213 PolarHBondContact O-N 2.87Å; V1210-A1213 VanDerWaalsContact O-N 3.11Å; V1210-V1214 HydrophobicContact CG1-CG2 4.35Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; V1210-V1214 PolarHBondContact O-N 3.45Å
1211D81.9Confident80.5Confident85 Ų8593.9 Ų93.946%0.45550%0.496SS..Hα-helixtrans-58.6-40.4178.2-74.1-27.1000111.5K1207 F1215K1207-D1211 WeakPolarHBondContact O-CB 3.43Å; K1207-D1211 PolarHBondContact O-N 3.37Å; D1211-F1215 VanDerWaalsContact O-CB 3.26Å; D1211-F1215 WeakPolarHBondContact O-CB 3.47Å; D1211-F1215 PolarHBondContact O-N 2.79Å
1212T82.9Confident80.5Confident87 Ų8796 Ų9653%0.53450%0.504SS..Hα-helixtrans-67.3-39.4175.9-60.20000112.5N1208 A1209 V1210 T1216N1208-T1212 VanDerWaalsContact O-CB 3.24Å; N1208-T1212 WeakPolarHBondContact O-CB 3.22Å; N1208-T1212 PolarHBondContact O-N 3.4Å; N1208-T1212 PolarHBondContact O-OG1 3.01Å; A1209-T1212 PolarHBondContact O-N 2.8Å; V1210-T1212 VanDerWaalsContact C-N 3.28Å; V1210-T1212 PolarHBondContact O-N 3.07Å; T1212-T1216 WeakPolarHBondContact O-CB 3.45Å; T1212-T1216 WeakPolarHBondContact O-CG2 3.48Å; T1212-T1216 PolarHBondContact O-N 3.3Å; T1212-T1216 PolarHBondContact O-OG1 3.44Å
1213A79.6Confident80.6Confident53 Ų5395.8 Ų95.844%0.43850%0.503SS..Hα-helixtrans-67.8-43.2176.700000111.8A1209 V1210 T1216 K1217A1209-A1213 WeakPolarHBondContact O-CB 3.2Å; A1209-A1213 PolarHBondContact O-N 3.46Å; V1210-A1213 PolarHBondContact O-N 2.87Å; V1210-A1213 VanDerWaalsContact O-N 3.11Å; A1213-T1216 PolarHBondContact O-N 3.3Å; A1213-T1216 PolarHBondContact O-OG1 2.93Å; A1213-T1216 VanDerWaalsContact O-OG1 3.11Å; A1213-K1217 WeakPolarHBondContact O-CB 3.3Å; A1213-K1217 PolarHBondContact O-N 2.85Å
1214V79.3Confident80.5Confident87 Ų8794.4 Ų94.453%0.52750%0.497SS..Hα-helixtrans-61.2-49.5173.9171.50000110.3V1210 T1216 K1217 E1218V1210-V1214 HydrophobicContact CG1-CG2 4.35Å; V1210-V1214 WeakPolarHBondContact O-CG2 3.27Å; V1210-V1214 PolarHBondContact O-N 3.45Å; V1214-T1216 PolarHBondContact O-N 2.78Å; V1214-K1217 PolarHBondContact O-N 3.5Å; V1214-E1218 WeakPolarHBondContact O-CB 3.42Å; V1214-E1218 PolarHBondContact O-N 2.81Å
1215F79.5Confident80.2Confident127 Ų12794.4 Ų94.456%0.55749%0.494SS*.Hα-helixtrans-61.4-42.3179.4-179.7-104.6000113.1D1211 E1218 K1219D1211-F1215 VanDerWaalsContact O-CB 3.26Å; D1211-F1215 WeakPolarHBondContact O-CB 3.47Å; D1211-F1215 PolarHBondContact O-N 2.79Å; F1215-E1218 PolarHBondContact O-N 3.24Å; F1215-K1219 VanDerWaalsContact O-CB 3.32Å; F1215-K1219 WeakPolarHBondContact O-CB 3.4Å; F1215-K1219 PolarHBondContact O-N 2.91Å
1216T81.7Confident80.1Confident68 Ų6894.1 Ų94.142%0.41749%0.489SS..Hα-helixtrans-68.7-36.9177.347.10000112.6T1212 A1213 V1214 Q1220T1212-T1216 WeakPolarHBondContact O-CB 3.45Å; T1212-T1216 WeakPolarHBondContact O-CG2 3.48Å; T1212-T1216 PolarHBondContact O-N 3.3Å; T1212-T1216 PolarHBondContact O-OG1 3.44Å; A1213-T1216 PolarHBondContact O-N 3.3Å; A1213-T1216 PolarHBondContact O-OG1 2.93Å; A1213-T1216 VanDerWaalsContact O-OG1 3.11Å; V1214-T1216 PolarHBondContact O-N 2.78Å; T1216-Q1220 WeakPolarHBondContact O-CG 3.23Å; T1216-Q1220 PolarHBondContact O-N 3.44Å
1217K78.1Confident80.1Confident128 Ų12892.6 Ų92.656%0.55748%0.478SS*.Hα-helixtrans-66.2-44171.7-81.6-71179.2-1710112.8A1213 V1214 K1219 Q1220 M1221A1213-K1217 WeakPolarHBondContact O-CB 3.3Å; A1213-K1217 PolarHBondContact O-N 2.85Å; V1214-K1217 PolarHBondContact O-N 3.5Å; K1217-K1219 VanDerWaalsContact C-N 3.31Å; K1217-K1219 PolarHBondContact O-N 2.82Å; K1217-Q1220 PolarHBondContact O-N 2.99Å; K1217-M1221 PolarHBondContact O-N 3.39Å
1218E77.3Confident79.8Confident80 Ų8088.9 Ų88.937%0.37447%0.465SS..Hα-helixtrans-61.8-41177.2-158.7-144.7-166.400111.1V1214 F1215 M1221 K1222V1214-E1218 WeakPolarHBondContact O-CB 3.42Å; V1214-E1218 PolarHBondContact O-N 2.81Å; F1215-E1218 PolarHBondContact O-N 3.24Å; E1218-M1221 PolarHBondContact O-N 2.82Å; E1218-K1222 HydrophobicContact CG-CD 4.33Å; E1218-K1222 WeakPolarHBondContact O-CB 3.28Å; E1218-K1222 VanDerWaalsContact O-CG 3.3Å; E1218-K1222 WeakPolarHBondContact O-CG 3.27Å; E1218-K1222 PolarHBondContact O-N 3.29Å; E1218-K1222 WeakPolarHBondContact OE1-CE 3.4Å; E1218-K1222 IonicContact OE1-NZ 3Å; E1218-K1222 PolarHBondContact OE1-NZ 3.27Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.19Å; E1218-K1222 IonicContact OE2-NZ 2.75Å; E1218-K1222 PolarHBondContact OE2-NZ 3.29Å
1219K82.8Confident79.4Confident133 Ų13391.8 Ų91.858%0.57847%0.469SS*.Hα-helixtrans-61.4-44.1173.5-173.2178.1179.2-178.20112.5F1215 K1217 K1222 Q1223F1215-K1219 VanDerWaalsContact O-CB 3.32Å; F1215-K1219 WeakPolarHBondContact O-CB 3.4Å; F1215-K1219 PolarHBondContact O-N 2.91Å; K1217-K1219 VanDerWaalsContact C-N 3.31Å; K1217-K1219 PolarHBondContact O-N 2.82Å; K1219-K1222 PolarHBondContact O-N 3.07Å; K1219-Q1223 PolarHBondContact O-N 3.23Å
1220Q78.4Confident79.4Confident109 Ų10993.6 Ų93.651%0.50947%0.47SS..Hα-helixtrans-60.1-48.8174.7-75.8178.3-5.900111.7T1216 K1217 K1222 Q1223 Q1224T1216-Q1220 WeakPolarHBondContact O-CG 3.23Å; T1216-Q1220 PolarHBondContact O-N 3.44Å; K1217-Q1220 PolarHBondContact O-N 2.99Å; Q1220-K1222 PolarHBondContact O-N 2.8Å; Q1220-Q1223 PolarHBondContact O-N 2.67Å; Q1220-Q1224 PolarHBondContact O-N 2.98Å
1221M75.3Confident79.4Confident58 Ų5897.4 Ų97.429%0.28648%0.476SS..Hα-helixtrans-64.2-38.9178.8-70.8-167.5-6900112.8K1217 E1218 Q1223 N1225 Y1274K1217-M1221 PolarHBondContact O-N 3.39Å; E1218-M1221 PolarHBondContact O-N 2.82Å; M1221-Q1223 VanDerWaalsContact C-N 3.35Å; M1221-N1225 VanDerWaalsContact O-CB 3.31Å; M1221-N1225 WeakPolarHBondContact O-CB 3.48Å; M1221-N1225 PolarHBondContact O-N 3.05Å; M1221-N1225 PolarHBondContact O-ND2 2.8Å; M1221-Y1274 HydrophobicContact CE-CE2 4.26Å; M1221-Y1274 HydrophobicContact SD-CD2 4.08Å; M1221-Y1274 HydrophobicContact SD-CE2 4.27Å
1222K79.8Confident79.1Confident118 Ų11896.1 Ų96.151%0.51347%0.469SS..Hα-helixtrans-62.1-41.1174.5-79.5172.3175.5170.30111.5E1218 K1219 Q1220 S1226E1218-K1222 HydrophobicContact CG-CD 4.33Å; E1218-K1222 WeakPolarHBondContact O-CB 3.28Å; E1218-K1222 VanDerWaalsContact O-CG 3.3Å; E1218-K1222 WeakPolarHBondContact O-CG 3.27Å; E1218-K1222 PolarHBondContact O-N 3.29Å; E1218-K1222 WeakPolarHBondContact OE1-CE 3.4Å; E1218-K1222 IonicContact OE1-NZ 3Å; E1218-K1222 PolarHBondContact OE1-NZ 3.27Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.19Å; E1218-K1222 IonicContact OE2-NZ 2.75Å; E1218-K1222 PolarHBondContact OE2-NZ 3.29Å; K1219-K1222 PolarHBondContact O-N 3.07Å; Q1220-K1222 PolarHBondContact O-N 2.8Å; K1222-S1226 PolarHBondContact O-N 2.9Å; K1222-S1226 VanDerWaalsContact O-N 3.13Å
1223Q81.5Confident79Confident111 Ų11198.9 Ų98.952%0.51947%0.473SS..Hα-helixtrans-66.3-50.6176.6-179.4171-22.200112K1219 Q1220 M1221 N1225 S1226 E1227K1219-Q1223 PolarHBondContact O-N 3.23Å; Q1220-Q1223 PolarHBondContact O-N 2.67Å; M1221-Q1223 VanDerWaalsContact C-N 3.35Å; Q1223-N1225 VanDerWaalsContact C-N 3.28Å; Q1223-N1225 PolarHBondContact O-N 3.35Å; Q1223-S1226 WeakPolarHBondContact O-CA 3.49Å; Q1223-S1226 WeakPolarHBondContact O-CB 3.14Å; Q1223-S1226 PolarHBondContact O-N 2.98Å; Q1223-S1226 PolarHBondContact O-OG 3.29Å; Q1223-E1227 WeakPolarHBondContact CG-OE1 3.37Å; Q1223-E1227 PolarHBondContact NE2-OE1 3.34Å; Q1223-E1227 PolarHBondContact O-N 2.84Å
1224Q78.1Confident79Confident111 Ų111101.6 Ų101.652%0.51948%0.477SS..Hα-helixtrans-57.1-41.5177.2-71.5177.6-25.800112Q1220 S1226 E1227 L1228Q1220-Q1224 PolarHBondContact O-N 2.98Å; Q1224-S1226 PolarHBondContact O-N 3.38Å; Q1224-E1227 PolarHBondContact O-N 2.88Å; Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.02Å
1225N76.7Confident78.9Confident70 Ų7098.3 Ų98.337%0.37446%0.457SS..Hα-helixtrans-66.9-19.1174-87.5-72.4000114.1M1221 Q1223 R1229M1221-N1225 VanDerWaalsContact O-CB 3.31Å; M1221-N1225 WeakPolarHBondContact O-CB 3.48Å; M1221-N1225 PolarHBondContact O-N 3.05Å; M1221-N1225 PolarHBondContact O-ND2 2.8Å; Q1223-N1225 VanDerWaalsContact C-N 3.28Å; Q1223-N1225 PolarHBondContact O-N 3.35Å; N1225-R1229 WeakPolarHBondContact O-CB 3.42Å; N1225-R1229 WeakPolarHBondContact O-CG 3.48Å; N1225-R1229 PolarHBondContact O-N 2.89Å; N1225-R1229 PolarHBondContact O-NE 3.27Å
1226S79.8Confident78.7Confident50 Ų5096.3 Ų96.335%0.3545%0.452SS..Hα-helixtrans-80.5-42.7172.481.10000111.1K1222 Q1223 Q1224 R1229 N1230K1222-S1226 PolarHBondContact O-N 2.9Å; K1222-S1226 VanDerWaalsContact O-N 3.13Å; Q1223-S1226 WeakPolarHBondContact O-CA 3.49Å; Q1223-S1226 WeakPolarHBondContact O-CB 3.14Å; Q1223-S1226 PolarHBondContact O-N 2.98Å; Q1223-S1226 PolarHBondContact O-OG 3.29Å; Q1224-S1226 PolarHBondContact O-N 3.38Å; S1226-R1229 PolarHBondContact O-N 3.33Å; S1226-N1230 WeakPolarHBondContact O-CB 3.48Å; S1226-N1230 VanDerWaalsContact O-CG 3.26Å; S1226-N1230 PolarHBondContact O-N 3.19Å; S1226-N1230 PolarHBondContact O-ND2 2.83Å
1227E80.9Confident78.6Confident96 Ų9699.8 Ų99.845%0.44946%0.463SS..Hα-helixtrans-65.5-43.8178.7-67.9171.3-163.200111.1Q1223 Q1224 N1230 R1231Q1223-E1227 WeakPolarHBondContact CG-OE1 3.37Å; Q1223-E1227 PolarHBondContact NE2-OE1 3.34Å; Q1223-E1227 PolarHBondContact O-N 2.84Å; Q1224-E1227 PolarHBondContact O-N 2.88Å; E1227-N1230 PolarHBondContact O-N 2.83Å; E1227-R1231 WeakPolarHBondContact O-CG 3.44Å; E1227-R1231 PolarHBondContact O-N 2.7Å
1228L76.9Confident78.4Confident61 Ų6197 Ų9732%0.31945%0.452SS..Hα-helixtrans-62.4-41.8173.4-71.5171.9000112.2Q1224 N1230 R1231 L1232 L1270Q1224-L1228 WeakPolarHBondContact O-CG 3.41Å; Q1224-L1228 PolarHBondContact O-N 3.02Å; L1228-N1230 PolarHBondContact O-N 2.82Å; L1228-R1231 PolarHBondContact O-N 2.92Å; L1228-L1232 WeakPolarHBondContact O-CB 3.23Å; L1228-L1232 PolarHBondContact O-N 2.94Å; L1228-L1270 HydrophobicContact CD1-CD1 3.77Å
1229R75.6Confident78Confident154 Ų15494 Ų9458%0.58144%0.438SS*.Hα-helixtrans-67.5-33.2176.4-81.4-176.4-83.1-153.5-0112.9N1225 S1226 K1233N1225-R1229 WeakPolarHBondContact O-CB 3.42Å; N1225-R1229 WeakPolarHBondContact O-CG 3.48Å; N1225-R1229 PolarHBondContact O-N 2.89Å; N1225-R1229 PolarHBondContact O-NE 3.27Å; S1226-R1229 PolarHBondContact O-N 3.33Å; R1229-K1233 WeakPolarHBondContact O-CG 3.15Å; R1229-K1233 PolarHBondContact O-N 2.75Å
1230N81.4Confident77.5Confident98 Ų9892.8 Ų92.852%0.52444%0.435SS..Hα-helixtrans-70-42.5173.9-71.4-20000111.5S1226 E1227 L1228 K1233 Q1234S1226-N1230 WeakPolarHBondContact O-CB 3.48Å; S1226-N1230 VanDerWaalsContact O-CG 3.26Å; S1226-N1230 PolarHBondContact O-N 3.19Å; S1226-N1230 PolarHBondContact O-ND2 2.83Å; E1227-N1230 PolarHBondContact O-N 2.83Å; L1228-N1230 PolarHBondContact O-N 2.82Å; N1230-K1233 PolarHBondContact O-N 2.96Å; N1230-Q1234 PolarHBondContact O-N 2.9Å
1231R79.1Confident77.1Confident162 Ų16291.5 Ų91.561%0.61143%0.434SS*.Hα-helixtrans-62.2-41.4173-70.8176.569.6171.54112.2E1227 L1228 Q1234 V1235E1227-R1231 WeakPolarHBondContact O-CG 3.44Å; E1227-R1231 PolarHBondContact O-N 2.7Å; L1228-R1231 PolarHBondContact O-N 2.92Å; R1231-Q1234 PolarHBondContact O-N 3.17Å; R1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; R1231-V1235 PolarHBondContact O-N 2.8Å
1232L76.4Confident76.5Confident58 Ų5889.8 Ų89.830%0.30443%0.428SS..Hα-helixtrans-63.1-43.8175.9-176.163.5000111.7L1228 Q1234 V1235 L1236 L1260L1228-L1232 WeakPolarHBondContact O-CB 3.23Å; L1228-L1232 PolarHBondContact O-N 2.94Å; L1232-Q1234 VanDerWaalsContact C-N 3.33Å; L1232-Q1234 PolarHBondContact O-N 3.01Å; L1232-V1235 PolarHBondContact O-N 3.27Å; L1232-L1236 HydrophobicContact CD1-CD1 4.44Å; L1232-L1236 HydrophobicContact CD1-CG 4.46Å; L1232-L1236 HydrophobicContact CG-CD1 4.1Å; L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.8Å; L1232-L1260 HydrophobicContact CD1-CD1 3.83Å
1233K80.7Confident75.7Confident144 Ų14489.3 Ų89.363%0.62643%0.426SS*.Hα-helixtrans-57.8-44172.8-79.2179176.9-179.80112.1R1229 N1230 L1236 Q1237R1229-K1233 WeakPolarHBondContact O-CG 3.15Å; R1229-K1233 PolarHBondContact O-N 2.75Å; N1230-K1233 PolarHBondContact O-N 2.96Å; K1233-L1236 PolarHBondContact O-N 3.41Å; K1233-Q1237 WeakPolarHBondContact O-CB 3.33Å; K1233-Q1237 PolarHBondContact O-N 3.5Å
1234Q79.7Confident74.8Confident110 Ų11091.2 Ų91.251%0.51443%0.433SS..Hα-helixtrans-62-50177.4-177.5-178.2-15.800111.6N1230 R1231 L1232 L1236 Q1237 E1238N1230-Q1234 PolarHBondContact O-N 2.9Å; R1231-Q1234 PolarHBondContact O-N 3.17Å; L1232-Q1234 VanDerWaalsContact C-N 3.33Å; L1232-Q1234 PolarHBondContact O-N 3.01Å; Q1234-L1236 VanDerWaalsContact C-N 3.32Å; Q1234-L1236 PolarHBondContact O-N 2.81Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1234-Q1237 VanDerWaalsContact O-N 3.1Å; Q1234-E1238 VanDerWaalsContact CG-OE1 3.32Å; Q1234-E1238 WeakPolarHBondContact CG-OE1 3.44Å; Q1234-E1238 PolarHBondContact NE2-OE1 2.82Å; Q1234-E1238 WeakPolarHBondContact O-CG 3.37Å; Q1234-E1238 PolarHBondContact O-N 3.16Å
1235V77.4Confident73.9Confident19 Ų1993.1 Ų93.112%0.11545%0.446CS..Hα-helixtrans-61-40.1178.9173.30000111.5R1231 L1232 E1238 L1239 I1259 L1260R1231-V1235 WeakPolarHBondContact O-CG2 3.46Å; R1231-V1235 PolarHBondContact O-N 2.8Å; L1232-V1235 PolarHBondContact O-N 3.27Å; V1235-E1238 PolarHBondContact O-N 2.78Å; V1235-L1239 VanDerWaalsContact O-CB 3.26Å; V1235-L1239 WeakPolarHBondContact O-CB 3.43Å; V1235-L1239 PolarHBondContact O-N 3.35Å; V1235-I1259 HydrophobicContact CG2-CG2 4.29Å; V1235-L1260 HydrophobicContact CG1-CB 4.29Å; V1235-L1260 HydrophobicContact CG1-CD1 4.12Å
1236L75.3Confident72.6Confident85 Ų8592.4 Ų92.445%0.44545%0.446SS..Hα-helixtrans-63.4-40174.1-71.9170.4000112.2L1232 K1233 Q1234 L1239 E1240 L1260L1232-L1236 HydrophobicContact CD1-CD1 4.44Å; L1232-L1236 HydrophobicContact CD1-CG 4.46Å; L1232-L1236 HydrophobicContact CG-CD1 4.1Å; L1232-L1236 WeakPolarHBondContact O-CB 3.27Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.39Å; L1232-L1236 PolarHBondContact O-N 2.8Å; K1233-L1236 PolarHBondContact O-N 3.41Å; Q1234-L1236 VanDerWaalsContact C-N 3.32Å; Q1234-L1236 PolarHBondContact O-N 2.81Å; L1236-L1239 PolarHBondContact O-N 3.46Å; L1236-E1240 WeakPolarHBondContact O-CB 3.16Å; L1236-E1240 PolarHBondContact O-N 3.39Å; L1236-L1260 HydrophobicContact CD2-CD1 4.44Å
1237Q79.5Confident71.6Confident141 Ų14195.4 Ų95.466%0.65947%0.474SS*.Hα-helixtrans-69.4-37.3177.6-169.7171.60.300112.4K1233 Q1234 T1241K1233-Q1237 WeakPolarHBondContact O-CB 3.33Å; K1233-Q1237 PolarHBondContact O-N 3.5Å; Q1234-Q1237 PolarHBondContact O-N 3.05Å; Q1234-Q1237 VanDerWaalsContact O-N 3.1Å; Q1237-T1241 WeakPolarHBondContact O-CB 3.29Å; Q1237-T1241 WeakPolarHBondContact O-CG2 3.46Å; Q1237-T1241 PolarHBondContact O-N 3.15Å; Q1237-T1241 PolarHBondContact O-OG1 3.38Å
1238E74.1Confident70.5Confident70 Ų7095.6 Ų95.633%0.32748%0.482SS..Hα-helixtrans-67.5-35.3172.2-71.5-179.6-153.300112.2Q1234 V1235 T1241 S1242 L1256Q1234-E1238 VanDerWaalsContact CG-OE1 3.32Å; Q1234-E1238 WeakPolarHBondContact CG-OE1 3.44Å; Q1234-E1238 PolarHBondContact NE2-OE1 2.82Å; Q1234-E1238 WeakPolarHBondContact O-CG 3.37Å; Q1234-E1238 PolarHBondContact O-N 3.16Å; V1235-E1238 PolarHBondContact O-N 2.78Å; E1238-T1241 WeakPolarHBondContact CA-OG1 3.39Å; E1238-T1241 PolarHBondContact O-OG1 2.83Å; E1238-T1241 VanDerWaalsContact O-OG1 3.08Å; E1238-S1242 WeakPolarHBondContact O-CB 3.23Å; E1238-S1242 PolarHBondContact O-N 3.3Å; E1238-S1242 VanDerWaalsContact O-N 3.09Å; E1238-S1242 PolarHBondContact O-OG 2.92Å; E1238-L1256 HydrophobicContact CB-CD1 4.46Å; E1238-L1256 HydrophobicContact CB-CD2 4.3Å
1239L68.7Low69.5Low15 Ų1597 Ų978%0.07950%0.495CS..Hα-helixtrans-74.9-39.2176.9-168.5146.9000112.1V1235 L1236 S1242 K1243 L1256 Q1257 L1260V1235-L1239 VanDerWaalsContact O-CB 3.26Å; V1235-L1239 WeakPolarHBondContact O-CB 3.43Å; V1235-L1239 PolarHBondContact O-N 3.35Å; L1236-L1239 PolarHBondContact O-N 3.46Å; L1239-S1242 PolarHBondContact O-N 2.82Å; L1239-K1243 HydrophobicContact CD2-CD 3.84Å; L1239-K1243 HydrophobicContact CD2-CG 4.4Å; L1239-K1243 WeakPolarHBondContact O-CG 3.36Å; L1239-K1243 PolarHBondContact O-N 2.83Å; L1239-L1256 HydrophobicContact CD1-CB 4.29Å; L1239-Q1257 HydrophobicContact CD1-CG 4.23Å; L1239-L1260 HydrophobicContact CD1-CD2 4.27Å
1240E71.6Confident69Low109 Ų10991.9 Ų91.951%0.50948%0.482SS..Hα-helixtrans-73-34.5176.8-162.2-174141.900112.6L1236 K1243 K1244L1236-E1240 WeakPolarHBondContact O-CB 3.16Å; L1236-E1240 PolarHBondContact O-N 3.39Å; E1240-K1243 PolarHBondContact O-N 2.81Å; E1240-K1244 WeakPolarHBondContact O-CG 3.26Å; E1240-K1244 PolarHBondContact O-N 2.82Å; E1240-K1244 VanDerWaalsContact OE1-CE 3.29Å; E1240-K1244 WeakPolarHBondContact OE1-CE 3.32Å; E1240-K1244 IonicContact OE1-NZ 2.67Å; E1240-K1244 PolarHBondContact OE1-NZ 2.81Å
1241T70.9Confident68.6Low81 Ų8196.5 Ų96.550%0.49749%0.492SS..Hα-helixtrans-66.6-37.4170.4470000111.8Q1237 E1238 K1244Q1237-T1241 WeakPolarHBondContact O-CB 3.29Å; Q1237-T1241 WeakPolarHBondContact O-CG2 3.46Å; Q1237-T1241 PolarHBondContact O-N 3.15Å; Q1237-T1241 PolarHBondContact O-OG1 3.38Å; E1238-T1241 WeakPolarHBondContact CA-OG1 3.39Å; E1238-T1241 PolarHBondContact O-OG1 2.83Å; E1238-T1241 VanDerWaalsContact O-OG1 3.08Å; T1241-K1244 PolarHBondContact O-N 3.44Å
1242S62.4Low68.2Low23 Ų2396.7 Ų96.716%0.16149%0.493CS..Hα-helixtrans-64-45.1173-61.20000112.5E1238 L1239 K1244 L1245E1238-S1242 WeakPolarHBondContact O-CB 3.23Å; E1238-S1242 PolarHBondContact O-N 3.3Å; E1238-S1242 VanDerWaalsContact O-N 3.09Å; E1238-S1242 PolarHBondContact O-OG 2.92Å; L1239-S1242 PolarHBondContact O-N 2.82Å; S1242-K1244 PolarHBondContact O-N 2.72Å; S1242-L1245 PolarHBondContact O-N 3.35Å; S1242-L1245 VanDerWaalsContact O-N 3.16Å
1243K62.3Low67.8Low108 Ų10894.8 Ų94.847%0.4748%0.483SS..Hα-helixtrans-63.5-22.4179.4-82-176.5173.3176.40114.7L1239 E1240 L1245 E1253L1239-K1243 HydrophobicContact CD2-CD 3.84Å; L1239-K1243 HydrophobicContact CD2-CG 4.4Å; L1239-K1243 WeakPolarHBondContact O-CG 3.36Å; L1239-K1243 PolarHBondContact O-N 2.83Å; E1240-K1243 PolarHBondContact O-N 2.81Å; K1243-L1245 PolarHBondContact O-N 3.13Å; K1243-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1243-E1253 WeakPolarHBondContact CG-OE1 3.27Å; K1243-E1253 IonicContact NZ-OE1 3.74Å
1244K63.7Low67.6Low150 Ų15092 Ų9265%0.65247%0.474SS*.THydrogen-bonded Turntrans-79-1.5177.4-73.5169.3-174.9167.70113.9E1240 T1241 S1242E1240-K1244 WeakPolarHBondContact O-CG 3.26Å; E1240-K1244 PolarHBondContact O-N 2.82Å; E1240-K1244 VanDerWaalsContact OE1-CE 3.29Å; E1240-K1244 WeakPolarHBondContact OE1-CE 3.32Å; E1240-K1244 IonicContact OE1-NZ 2.67Å; E1240-K1244 PolarHBondContact OE1-NZ 2.81Å; T1241-K1244 PolarHBondContact O-N 3.44Å; S1242-K1244 PolarHBondContact O-N 2.72Å
1245L58.7Low67.4Low152 Ų15290.7 Ų90.780%0.79647%0.468SS*.SBendtrans-114.2-8.1-174.4-67.9170.3000115.3S1242 K1243S1242-L1245 PolarHBondContact O-N 3.35Å; S1242-L1245 VanDerWaalsContact O-N 3.16Å; K1243-L1245 PolarHBondContact O-N 3.13Å
1246S50.6Low67.3Low54 Ų5490.3 Ų90.338%0.37847%0.465SS..  trans-152.9142.6-178.8-174.20000112.9T1248S1246-T1248 WeakPolarHBondContact CB-O 3.45Å; S1246-T1248 PolarHBondContact OG-N 3Å; S1246-T1248 VanDerWaalsContact OG-N 3.15Å; S1246-T1248 PolarHBondContact OG-O 2.95Å
1247A57.5Low67.3Low113 Ų11390.5 Ų90.593%0.93446%0.463SS*.SBendtrans-87.6-6.117100000113.4
1248T57.8Low67.5Low101 Ų10188.9 Ų88.962%0.6246%0.459SS*.SBendtrans-120.1140.3173.727.10000110.4S1246 S1250S1246-T1248 WeakPolarHBondContact CB-O 3.45Å; S1246-T1248 PolarHBondContact OG-N 3Å; S1246-T1248 VanDerWaalsContact OG-N 3.15Å; S1246-T1248 PolarHBondContact OG-O 2.95Å; T1248-S1250 PolarHBondContact O-N 2.89Å; T1248-S1250 VanDerWaalsContact O-N 3.14Å
1249P55.9Low67.7Low90 Ų9089.9 Ų89.958%0.58447%0.466SS*.  trans-58.3120.3-178.5-24.434.1000111.4E1253P1249-E1253 WeakPolarHBondContact CA-OE2 3.16Å
1250S64.5Low68.1Low46 Ų4690.4 Ų90.432%0.32247%0.469SS..  trans-76.6157.2175.178.30000110.2T1248 R1252 E1253 I1254T1248-S1250 PolarHBondContact O-N 2.89Å; T1248-S1250 VanDerWaalsContact O-N 3.14Å; S1250-R1252 PolarHBondContact O-N 2.68Å; S1250-R1252 VanDerWaalsContact O-N 3.15Å; S1250-R1252 PolarHBondContact OG-N 3.33Å; S1250-E1253 WeakPolarHBondContact O-CA 3.32Å; S1250-E1253 WeakPolarHBondContact O-CB 3.2Å; S1250-E1253 PolarHBondContact O-N 3.03Å; S1250-E1253 PolarHBondContact OG-N 3.29Å; S1250-E1253 VanDerWaalsContact OG-N 3.07Å; S1250-I1254 PolarHBondContact O-N 3.2Å; S1250-I1254 VanDerWaalsContact O-N 3.11Å
1251R73.3Confident68.6Low196 Ų19690 Ų9074%0.7447%0.467SS*.Hα-helixtrans-52.7-36.5171.1176.1176.8167.6161.82.3112.1E1253 I1254 E1255R1251-E1253 VanDerWaalsContact C-N 3.34Å; R1251-I1254 PolarHBondContact O-N 2.92Å; R1251-E1255 IonicContact CZ-OE1 3.46Å; R1251-E1255 IonicContact NE-OE1 2.77Å; R1251-E1255 PolarHBondContact NE-OE1 3.2Å; R1251-E1255 IonicContact NH2-OE1 3.22Å; R1251-E1255 PolarHBondContact NH2-OE1 3.17Å; R1251-E1255 WeakPolarHBondContact O-CG 3.18Å; R1251-E1255 PolarHBondContact O-N 3.45Å
1252R72.3Confident69.1Low166 Ų16687.8 Ų87.863%0.62646%0.46SS*.Hα-helixtrans-70.3-29177.1-166.8174.6-176.6118.71.7112.7S1250 L1256S1250-R1252 PolarHBondContact O-N 2.68Å; S1250-R1252 VanDerWaalsContact O-N 3.15Å; S1250-R1252 PolarHBondContact OG-N 3.33Å; R1252-L1256 HydrophobicContact CG-CD1 4.44Å; R1252-L1256 WeakPolarHBondContact O-CB 3.39Å; R1252-L1256 VanDerWaalsContact O-CG 3.26Å; R1252-L1256 WeakPolarHBondContact O-CG 3.14Å; R1252-L1256 PolarHBondContact O-N 2.8Å
1253E66.4Low69.8Low18 Ų1888.8 Ų88.88%0.08447%0.465CS..Hα-helixtrans-70.2-39.7172.2-170.2175.417800111.1K1243 P1249 S1250 R1251 L1256 Q1257K1243-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1243-E1253 WeakPolarHBondContact CG-OE1 3.27Å; K1243-E1253 IonicContact NZ-OE1 3.74Å; P1249-E1253 WeakPolarHBondContact CA-OE2 3.16Å; S1250-E1253 WeakPolarHBondContact O-CA 3.32Å; S1250-E1253 WeakPolarHBondContact O-CB 3.2Å; S1250-E1253 PolarHBondContact O-N 3.03Å; S1250-E1253 PolarHBondContact OG-N 3.29Å; S1250-E1253 VanDerWaalsContact OG-N 3.07Å; R1251-E1253 VanDerWaalsContact C-N 3.34Å; E1253-L1256 CarbonylContact O-C 3.58Å; E1253-L1256 PolarHBondContact O-N 3.45Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.46Å; E1253-Q1257 VanDerWaalsContact O-CG 3.3Å; E1253-Q1257 WeakPolarHBondContact O-CG 3.13Å; E1253-Q1257 PolarHBondContact O-N 2.77Å
1254I76.1Confident70.5Confident85 Ų8587.5 Ų87.544%0.43646%0.461SS..Hα-helixtrans-64.7-43.1173.2-61171.4000110.7S1250 R1251 Q1257 N1258S1250-I1254 PolarHBondContact O-N 3.2Å; S1250-I1254 VanDerWaalsContact O-N 3.11Å; R1251-I1254 PolarHBondContact O-N 2.92Å; I1254-Q1257 PolarHBondContact O-N 2.8Å; I1254-N1258 VanDerWaalsContact O-CG 3.3Å; I1254-N1258 PolarHBondContact O-N 2.96Å; I1254-N1258 PolarHBondContact O-ND2 2.97Å
1255E77.2Confident71.4Confident83 Ų8385.6 Ų85.639%0.38845%0.454SS..Hα-helixtrans-62.2-41.3174.7-72.7165.2179.900111.4R1251 N1258 I1259R1251-E1255 IonicContact CZ-OE1 3.46Å; R1251-E1255 IonicContact NE-OE1 2.77Å; R1251-E1255 PolarHBondContact NE-OE1 3.2Å; R1251-E1255 IonicContact NH2-OE1 3.22Å; R1251-E1255 PolarHBondContact NH2-OE1 3.17Å; R1251-E1255 WeakPolarHBondContact O-CG 3.18Å; R1251-E1255 PolarHBondContact O-N 3.45Å; E1255-N1258 PolarHBondContact O-N 3.46Å; E1255-I1259 VanDerWaalsContact O-CG1 3.3Å; E1255-I1259 WeakPolarHBondContact O-CG1 3.27Å; E1255-I1259 PolarHBondContact O-N 3.27Å
1256L74.5Confident72.4Confident10 Ų1085.2 Ų85.25%0.05245%0.446CS..Hα-helixtrans-68.3-34.9173.2-75.7169.4000113.3E1238 L1239 R1252 E1253 I1259 L1260E1238-L1256 HydrophobicContact CB-CD1 4.46Å; E1238-L1256 HydrophobicContact CB-CD2 4.3Å; L1239-L1256 HydrophobicContact CD1-CB 4.29Å; R1252-L1256 HydrophobicContact CG-CD1 4.44Å; R1252-L1256 WeakPolarHBondContact O-CB 3.39Å; R1252-L1256 VanDerWaalsContact O-CG 3.26Å; R1252-L1256 WeakPolarHBondContact O-CG 3.14Å; R1252-L1256 PolarHBondContact O-N 2.8Å; E1253-L1256 CarbonylContact O-C 3.58Å; E1253-L1256 PolarHBondContact O-N 3.45Å; L1256-I1259 PolarHBondContact O-N 3.1Å; L1256-L1260 VanDerWaalsContact O-CB 3.32Å; L1256-L1260 WeakPolarHBondContact O-CB 3.31Å; L1256-L1260 PolarHBondContact O-N 3.18Å
1257Q76.3Confident73.7Confident89 Ų8985.8 Ų85.842%0.41645%0.445SS..Hα-helixtrans-68-38.3173.9-77.7179.8-59.700111.7L1239 E1253 I1254 L1260 H1261L1239-Q1257 HydrophobicContact CD1-CG 4.23Å; E1253-Q1257 WeakPolarHBondContact O-CB 3.46Å; E1253-Q1257 VanDerWaalsContact O-CG 3.3Å; E1253-Q1257 WeakPolarHBondContact O-CG 3.13Å; E1253-Q1257 PolarHBondContact O-N 2.77Å; I1254-Q1257 PolarHBondContact O-N 2.8Å; Q1257-L1260 PolarHBondContact O-N 3.02Å; Q1257-H1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-H1261 PolarHBondContact O-N 3Å
1258N82Confident74.8Confident108 Ų10886.2 Ų86.258%0.57843%0.425SS*.Hα-helixtrans-66.8-38173.5-70.5-17.5000111.8I1254 E1255 G1262I1254-N1258 VanDerWaalsContact O-CG 3.3Å; I1254-N1258 PolarHBondContact O-N 2.96Å; I1254-N1258 PolarHBondContact O-ND2 2.97Å; E1255-N1258 PolarHBondContact O-N 3.46Å; N1258-G1262 PolarHBondContact O-N 3.01Å
1259I79.5Confident75.9Confident90 Ų9087.5 Ų87.546%0.46242%0.424SS..Hα-helixtrans-65.5-45.1172.6-70.4165000110.8V1235 E1255 L1256 G1262 T1263V1235-I1259 HydrophobicContact CG2-CG2 4.29Å; E1255-I1259 VanDerWaalsContact O-CG1 3.3Å; E1255-I1259 WeakPolarHBondContact O-CG1 3.27Å; E1255-I1259 PolarHBondContact O-N 3.27Å; L1256-I1259 PolarHBondContact O-N 3.1Å; I1259-G1262 PolarHBondContact O-N 3.02Å; I1259-T1263 PolarHBondContact O-N 3.12Å; I1259-T1263 PolarHBondContact O-OG1 3.48Å
1260L76.8Confident76.9Confident27 Ų2787 Ų8714%0.14142%0.416CS..Hα-helixtrans-58.5-51.3176.4-177.369.5000110.6L1232 V1235 L1236 L1239 L1256 Q1257 G1262 T1263 E1264L1232-L1260 HydrophobicContact CD1-CD1 3.83Å; V1235-L1260 HydrophobicContact CG1-CB 4.29Å; V1235-L1260 HydrophobicContact CG1-CD1 4.12Å; L1236-L1260 HydrophobicContact CD2-CD1 4.44Å; L1239-L1260 HydrophobicContact CD1-CD2 4.27Å; L1256-L1260 VanDerWaalsContact O-CB 3.32Å; L1256-L1260 WeakPolarHBondContact O-CB 3.31Å; L1256-L1260 PolarHBondContact O-N 3.18Å; Q1257-L1260 PolarHBondContact O-N 3.02Å; L1260-G1262 VanDerWaalsContact C-N 3.33Å; L1260-G1262 PolarHBondContact O-N 3.45Å; L1260-T1263 CarbonylContact O-C 3.59Å; L1260-T1263 WeakPolarHBondContact O-CA 3.4Å; L1260-T1263 PolarHBondContact O-N 2.67Å; L1260-T1263 PolarHBondContact O-OG1 3.11Å; L1260-E1264 WeakPolarHBondContact O-CG 3.37Å; L1260-E1264 PolarHBondContact O-N 2.93Å
1261H82Confident77.6Confident100 Ų10090.3 Ų90.346%0.46343%0.427SS..Hα-helixtrans-60.7-41.4178.5-167.348.7000112.1Q1257 T1263 E1264 E1265Q1257-H1261 WeakPolarHBondContact O-CB 3.44Å; Q1257-H1261 PolarHBondContact O-N 3Å; H1261-T1263 VanDerWaalsContact C-N 3.26Å; H1261-T1263 PolarHBondContact O-N 3.33Å; H1261-E1264 IonicContact ND1-OE2 3.16Å; H1261-E1264 PolarHBondContact O-N 3.09Å; H1261-E1265 WeakPolarHBondContact O-CB 3.45Å; H1261-E1265 WeakPolarHBondContact O-CG 3.49Å; H1261-E1265 PolarHBondContact O-N 3.1Å
1262G82.2Confident78Confident35 Ų3586.4 Ų86.436%0.36142%0.42SS..Hα-helixtrans-66.6-20.3173.200000114.8N1258 I1259 L1260 K1266N1258-G1262 PolarHBondContact O-N 3.01Å; I1259-G1262 PolarHBondContact O-N 3.02Å; L1260-G1262 VanDerWaalsContact C-N 3.33Å; L1260-G1262 PolarHBondContact O-N 3.45Å; G1262-K1266 WeakPolarHBondContact O-CG 3.44Å
1263T76.7Confident78.3Confident44 Ų4483.3 Ų83.327%0.2741%0.413SS..Hα-helixtrans-87.1-31.9168.256.40000113I1259 L1260 H1261 L1267I1259-T1263 PolarHBondContact O-N 3.12Å; I1259-T1263 PolarHBondContact O-OG1 3.48Å; L1260-T1263 CarbonylContact O-C 3.59Å; L1260-T1263 WeakPolarHBondContact O-CA 3.4Å; L1260-T1263 PolarHBondContact O-N 2.67Å; L1260-T1263 PolarHBondContact O-OG1 3.11Å; H1261-T1263 VanDerWaalsContact C-N 3.26Å; H1261-T1263 PolarHBondContact O-N 3.33Å; T1263-L1267 WeakPolarHBondContact O-CB 3.35Å; T1263-L1267 PolarHBondContact O-N 2.91Å
1264E77.3Confident78.7Confident81 Ų8188.9 Ų88.938%0.37943%0.434SS..Hα-helixtrans-67.8-42.7174.1-71.6173.5168.500112.1L1260 H1261 L1267 K1268L1260-E1264 WeakPolarHBondContact O-CG 3.37Å; L1260-E1264 PolarHBondContact O-N 2.93Å; H1261-E1264 IonicContact ND1-OE2 3.16Å; H1261-E1264 PolarHBondContact O-N 3.09Å; E1264-L1267 PolarHBondContact O-N 3.44Å; E1264-K1268 WeakPolarHBondContact O-CG 3.44Å; E1264-K1268 PolarHBondContact O-N 2.93Å
1265E81.9Confident78.9Confident109 Ų10986.9 Ų86.951%0.50943%0.43SS..Hα-helixtrans-56.8-49.9172.2-76.2-94.7101.700110.9H1261 L1267 K1268 Q1269H1261-E1265 WeakPolarHBondContact O-CB 3.45Å; H1261-E1265 WeakPolarHBondContact O-CG 3.49Å; H1261-E1265 PolarHBondContact O-N 3.1Å; E1265-L1267 VanDerWaalsContact C-N 3.32Å; E1265-L1267 PolarHBondContact O-N 3.35Å; E1265-K1268 PolarHBondContact O-N 3.35Å; E1265-Q1269 PolarHBondContact O-N 3.36Å
1266K80.4Confident79.1Confident145 Ų14586.5 Ų86.563%0.6343%0.43SS*.Hα-helixtrans-65.2-34177.9-72.5-178178.5-172.50112.9G1262 Q1269 L1270G1262-K1266 WeakPolarHBondContact O-CG 3.44Å; K1266-Q1269 PolarHBondContact O-N 2.93Å; K1266-L1270 WeakPolarHBondContact O-CB 3.41Å; K1266-L1270 PolarHBondContact O-N 3.43Å
1267L76.2Confident79.1Confident65 Ų6591.2 Ų91.234%0.3445%0.452SS..Hα-helixtrans-65.7-44.9173.8-170.173.7000111.1T1263 E1264 E1265 Q1269 Q1271T1263-L1267 WeakPolarHBondContact O-CB 3.35Å; T1263-L1267 PolarHBondContact O-N 2.91Å; E1264-L1267 PolarHBondContact O-N 3.44Å; E1265-L1267 VanDerWaalsContact C-N 3.32Å; E1265-L1267 PolarHBondContact O-N 3.35Å; L1267-Q1269 PolarHBondContact O-N 2.62Å; L1267-Q1271 WeakPolarHBondContact O-CB 3.45Å; L1267-Q1271 VanDerWaalsContact O-CG 3.27Å; L1267-Q1271 WeakPolarHBondContact O-CG 3.34Å; L1267-Q1271 PolarHBondContact O-N 2.9Å
1268K82.6Confident79.2Confident123 Ų12389 Ų8954%0.53545%0.446SS..Hα-helixtrans-61.6-41.8175-73.4174.3-177.7172.50112.1E1264 E1265 Q1271 L1272E1264-K1268 WeakPolarHBondContact O-CG 3.44Å; E1264-K1268 PolarHBondContact O-N 2.93Å; E1265-K1268 PolarHBondContact O-N 3.35Å; K1268-Q1271 WeakPolarHBondContact O-CB 3.21Å; K1268-Q1271 PolarHBondContact O-N 3.1Å; K1268-L1272 PolarHBondContact O-N 3.4Å
1269Q79.9Confident79.1Confident128 Ų12889 Ų8960%0.59844%0.441SS*.Hα-helixtrans-67.9-42.6-178.7-163.9160.513.500111.6E1265 K1266 L1267 Q1271 L1272 E1273E1265-Q1269 PolarHBondContact O-N 3.36Å; K1266-Q1269 PolarHBondContact O-N 2.93Å; L1267-Q1269 PolarHBondContact O-N 2.62Å; Q1269-Q1271 VanDerWaalsContact C-N 3.32Å; Q1269-Q1271 PolarHBondContact O-N 2.88Å; Q1269-L1272 WeakPolarHBondContact O-CB 3.49Å; Q1269-L1272 PolarHBondContact O-N 2.65Å; Q1269-L1272 VanDerWaalsContact O-N 3.17Å; Q1269-E1273 PolarHBondContact O-N 2.74Å
1270L76.2Confident79Confident78 Ų7887.8 Ų87.841%0.40844%0.44SS..Hα-helixtrans-63.7-33.6170.5-86161000113.2L1228 K1266 L1272 Y1274L1228-L1270 HydrophobicContact CD1-CD1 3.77Å; K1266-L1270 WeakPolarHBondContact O-CB 3.41Å; K1266-L1270 PolarHBondContact O-N 3.43Å; L1270-L1272 VanDerWaalsContact C-N 3.35Å; L1270-Y1274 VanDerWaalsContact O-CB 3.3Å; L1270-Y1274 WeakPolarHBondContact O-CB 3.41Å; L1270-Y1274 PolarHBondContact O-N 3.18Å
1271Q79.1Confident79Confident117 Ų11791.8 Ų91.855%0.54746%0.462SS..Hα-helixtrans-68.2-33.7172.9-78176.6-33.200112.4L1267 K1268 Q1269 A1275L1267-Q1271 WeakPolarHBondContact O-CB 3.45Å; L1267-Q1271 VanDerWaalsContact O-CG 3.27Å; L1267-Q1271 WeakPolarHBondContact O-CG 3.34Å; L1267-Q1271 PolarHBondContact O-N 2.9Å; K1268-Q1271 WeakPolarHBondContact O-CB 3.21Å; K1268-Q1271 PolarHBondContact O-N 3.1Å; Q1269-Q1271 VanDerWaalsContact C-N 3.32Å; Q1269-Q1271 PolarHBondContact O-N 2.88Å; Q1271-A1275 WeakPolarHBondContact O-CB 3.41Å; Q1271-A1275 PolarHBondContact O-N 3.23Å
1272L82Confident78.9Confident113 Ų11393.1 Ų93.159%0.59247%0.468SS*.Hα-helixtrans-70-49.2174.7-150.581.8000110.9K1268 Q1269 L1270 Y1274 A1275 D1276K1268-L1272 PolarHBondContact O-N 3.4Å; Q1269-L1272 WeakPolarHBondContact O-CB 3.49Å; Q1269-L1272 PolarHBondContact O-N 2.65Å; Q1269-L1272 VanDerWaalsContact O-N 3.17Å; L1270-L1272 VanDerWaalsContact C-N 3.35Å; L1272-Y1274 VanDerWaalsContact C-N 3.28Å; L1272-Y1274 PolarHBondContact O-N 3.18Å; L1272-A1275 PolarHBondContact O-N 3.41Å; L1272-A1275 VanDerWaalsContact O-N 3.1Å; L1272-D1276 PolarHBondContact O-N 3.38Å
1273E79.4Confident78.8Confident102 Ų10296.9 Ų96.948%0.47748%0.476SS..Hα-helixtrans-57.5-40.4175.4-72.3-179.8154.100112Q1269 Q1277Q1269-E1273 PolarHBondContact O-N 2.74Å; E1273-Q1277 WeakPolarHBondContact O-CB 3.41Å; E1273-Q1277 VanDerWaalsContact O-CG 3.24Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.42Å; E1273-Q1277 PolarHBondContact O-N 2.77Å
1274Y74.2Confident78.8Confident134 Ų13499.3 Ų99.353%0.52549%0.487SS..Hα-helixtrans-65-43174.6-179.1-107.6000112.3M1221 L1270 L1272 Q1277 C1278M1221-Y1274 HydrophobicContact CE-CE2 4.26Å; M1221-Y1274 HydrophobicContact SD-CD2 4.08Å; M1221-Y1274 HydrophobicContact SD-CE2 4.27Å; L1270-Y1274 VanDerWaalsContact O-CB 3.3Å; L1270-Y1274 WeakPolarHBondContact O-CB 3.41Å; L1270-Y1274 PolarHBondContact O-N 3.18Å; L1272-Y1274 VanDerWaalsContact C-N 3.28Å; L1272-Y1274 PolarHBondContact O-N 3.18Å; Y1274-Q1277 PolarHBondContact O-N 2.85Å; Y1274-C1278 WeakPolarHBondContact O-CB 3.38Å; Y1274-C1278 PolarHBondContact O-N 3.15Å; Y1274-C1278 PolarHBondContact O-SG 3.45Å
1275A81.1Confident79Confident43 Ų43100.2 Ų100.236%0.35549%0.491SS..Hα-helixtrans-65-40.2178.600000112.7Q1271 L1272 C1278 K1279Q1271-A1275 WeakPolarHBondContact O-CB 3.41Å; Q1271-A1275 PolarHBondContact O-N 3.23Å; L1272-A1275 PolarHBondContact O-N 3.41Å; L1272-A1275 VanDerWaalsContact O-N 3.1Å; A1275-C1278 PolarHBondContact O-N 2.73Å; A1275-K1279 PolarHBondContact O-N 3.31Å; A1275-K1279 VanDerWaalsContact O-N 3.13Å
1276D80.3Confident79Confident75 Ų7599.4 Ų99.440%0.40149%0.489SS..Hα-helixtrans-76.4-30.6178.3-67.8-29.8000112.2L1272 K1279 S1280L1272-D1276 PolarHBondContact O-N 3.38Å; D1276-K1279 IonicContact OD1-NZ 2.82Å; D1276-K1279 PolarHBondContact OD1-NZ 3.2Å; D1276-S1280 WeakPolarHBondContact O-CB 3.29Å; D1276-S1280 PolarHBondContact O-N 2.77Å
1277Q75.8Confident79Confident110 Ų11097.6 Ų97.651%0.51448%0.481SS..Hα-helixtrans-65.4-39.9167.6-76.5175.524.500112.3E1273 Y1274 S1280 L1281E1273-Q1277 WeakPolarHBondContact O-CB 3.41Å; E1273-Q1277 VanDerWaalsContact O-CG 3.24Å; E1273-Q1277 WeakPolarHBondContact O-CG 3.42Å; E1273-Q1277 PolarHBondContact O-N 2.77Å; Y1274-Q1277 PolarHBondContact O-N 2.85Å; Q1277-S1280 PolarHBondContact O-N 2.81Å; Q1277-L1281 WeakPolarHBondContact O-CG 3.33Å; Q1277-L1281 PolarHBondContact O-N 2.9Å
1278C77.1Confident79Confident43 Ų4398.4 Ų98.429%0.29149%0.485SS..Hα-helixtrans-61.8-44.9174.7-74.40000112.1Y1274 A1275 S1280 L1281 E1282Y1274-C1278 WeakPolarHBondContact O-CB 3.38Å; Y1274-C1278 PolarHBondContact O-N 3.15Å; Y1274-C1278 PolarHBondContact O-SG 3.45Å; A1275-C1278 PolarHBondContact O-N 2.73Å; C1278-S1280 PolarHBondContact O-N 3.39Å; C1278-L1281 PolarHBondContact O-N 3.48Å; C1278-E1282 PolarHBondContact O-N 3.2Å
1279K81.4Confident78.9Confident108 Ų10897.4 Ų97.447%0.4748%0.482SS..Hα-helixtrans-60.5-43.4173.7-68.8175-164.71510112.6A1275 D1276 L1281 E1282 E1283A1275-K1279 PolarHBondContact O-N 3.31Å; A1275-K1279 VanDerWaalsContact O-N 3.13Å; D1276-K1279 IonicContact OD1-NZ 2.82Å; D1276-K1279 PolarHBondContact OD1-NZ 3.2Å; K1279-L1281 PolarHBondContact O-N 2.76Å; K1279-E1282 PolarHBondContact O-N 2.77Å; K1279-E1282 VanDerWaalsContact O-N 3.14Å; K1279-E1283 PolarHBondContact O-N 3.43Å
1280S76.9Confident78.8Confident63 Ų6396.9 Ų96.944%0.44148%0.48SS..Hα-helixtrans-62.7-33.2178.3-172.90000112D1276 Q1277 C1278 L1284D1276-S1280 WeakPolarHBondContact O-CB 3.29Å; D1276-S1280 PolarHBondContact O-N 2.77Å; Q1277-S1280 PolarHBondContact O-N 2.81Å; C1278-S1280 PolarHBondContact O-N 3.39Å; S1280-L1284 WeakPolarHBondContact O-CB 3.37Å; S1280-L1284 WeakPolarHBondContact O-CD1 3.49Å; S1280-L1284 VanDerWaalsContact O-CG 3.25Å; S1280-L1284 WeakPolarHBondContact O-CG 3.29Å; S1280-L1284 PolarHBondContact O-N 2.7Å; S1280-L1284 VanDerWaalsContact O-N 3.1Å
1281L76.4Confident78.7Confident112 Ų11298.8 Ų98.859%0.58649%0.49SS*.Hα-helixtrans-71.2-40.8171-71.9168.7000112.5Q1277 C1278 K1279 L1284 Q1285Q1277-L1281 WeakPolarHBondContact O-CG 3.33Å; Q1277-L1281 PolarHBondContact O-N 2.9Å; C1278-L1281 PolarHBondContact O-N 3.48Å; K1279-L1281 PolarHBondContact O-N 2.76Å; L1281-L1284 PolarHBondContact O-N 3.25Å; L1281-Q1285 VanDerWaalsContact O-CB 3.29Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.48Å; L1281-Q1285 PolarHBondContact O-N 2.85Å
1282E80.2Confident78.4Confident128 Ų12899 Ų9960%0.59849%0.491SS*.Hα-helixtrans-63.1-42173.6-71.6177.4145.700111.9C1278 K1279 L1284 Q1285 I1286C1278-E1282 PolarHBondContact O-N 3.2Å; K1279-E1282 PolarHBondContact O-N 2.77Å; K1279-E1282 VanDerWaalsContact O-N 3.14Å; E1282-L1284 VanDerWaalsContact C-N 3.32Å; E1282-L1284 PolarHBondContact O-N 2.9Å; E1282-Q1285 PolarHBondContact O-N 3.37Å; E1282-I1286 VanDerWaalsContact O-CG1 3.28Å; E1282-I1286 WeakPolarHBondContact O-CG1 3.42Å; E1282-I1286 PolarHBondContact O-N 2.8Å
1283E79.6Confident78.1Confident114 Ų11497 Ų9753%0.53349%0.486SS..Hα-helixtrans-65.8-30.8175.1-75.1-175.6-154.200113.4K1279 K1287K1279-E1283 PolarHBondContact O-N 3.43Å; E1283-K1287 WeakPolarHBondContact O-CD 3.47Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 3.32Å
1284L77Confident77.8Confident94 Ų9497.4 Ų97.449%0.49249%0.49SS..Hα-helixtrans-77.4-39.3173.1-75.5169.4000111.8S1280 L1281 E1282 K1287 I1288S1280-L1284 WeakPolarHBondContact O-CB 3.37Å; S1280-L1284 WeakPolarHBondContact O-CD1 3.49Å; S1280-L1284 VanDerWaalsContact O-CG 3.25Å; S1280-L1284 WeakPolarHBondContact O-CG 3.29Å; S1280-L1284 PolarHBondContact O-N 2.7Å; S1280-L1284 VanDerWaalsContact O-N 3.1Å; L1281-L1284 PolarHBondContact O-N 3.25Å; E1282-L1284 VanDerWaalsContact C-N 3.32Å; E1282-L1284 PolarHBondContact O-N 2.9Å; L1284-K1287 PolarHBondContact O-N 2.93Å; L1284-I1288 WeakPolarHBondContact O-CG1 3.35Å; L1284-I1288 PolarHBondContact O-N 3.48Å
1285Q80.8Confident77.5Confident101 Ų10196.7 Ų96.747%0.47250%0.495SS..Hα-helixtrans-59.8-48.1175.1-175.166.436.600110.7L1281 E1282 K1287 I1288 E1289L1281-Q1285 VanDerWaalsContact O-CB 3.29Å; L1281-Q1285 WeakPolarHBondContact O-CB 3.48Å; L1281-Q1285 PolarHBondContact O-N 2.85Å; E1282-Q1285 PolarHBondContact O-N 3.37Å; Q1285-K1287 VanDerWaalsContact C-N 3.33Å; Q1285-K1287 PolarHBondContact O-N 3.5Å; Q1285-I1288 PolarHBondContact O-N 2.71Å; Q1285-I1288 VanDerWaalsContact O-N 3.16Å; Q1285-E1289 WeakPolarHBondContact CG-OE1 3.48Å; Q1285-E1289 PolarHBondContact NE2-OE1 3.43Å; Q1285-E1289 WeakPolarHBondContact O-CG 3.36Å; Q1285-E1289 PolarHBondContact O-N 2.86Å
1286I82.7Confident76.8Confident91 Ų91100.4 Ų100.447%0.46751%0.506SS..Hα-helixtrans-59.3-42.9175.6-69.4164.3000111.1E1282 I1288 E1289 E1290E1282-I1286 VanDerWaalsContact O-CG1 3.28Å; E1282-I1286 WeakPolarHBondContact O-CG1 3.42Å; E1282-I1286 PolarHBondContact O-N 2.8Å; I1286-I1288 VanDerWaalsContact C-N 3.34Å; I1286-I1288 PolarHBondContact O-N 3.49Å; I1286-E1289 PolarHBondContact O-N 2.84Å; I1286-E1290 HydrophobicContact CG2-CG 4.34Å; I1286-E1290 WeakPolarHBondContact O-CB 3.44Å; I1286-E1290 WeakPolarHBondContact O-CG 3.35Å; I1286-E1290 PolarHBondContact O-N 2.84Å
1287K80.4Confident75.9Confident107 Ų107103 Ų10347%0.46552%0.516SS..Hα-helixtrans-67.6-31.4177.2-79.4169-176.9144.80113.6E1283 L1284 Q1285 L1291E1283-K1287 WeakPolarHBondContact O-CD 3.47Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 3.32Å; L1284-K1287 PolarHBondContact O-N 2.93Å; Q1285-K1287 VanDerWaalsContact C-N 3.33Å; Q1285-K1287 PolarHBondContact O-N 3.5Å; K1287-L1291 WeakPolarHBondContact O-CB 3.4Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.28Å; K1287-L1291 WeakPolarHBondContact O-CG 3.23Å; K1287-L1291 PolarHBondContact O-N 3.27Å
1288I76.6Confident75.1Confident82 Ų82103 Ų10342%0.42152%0.519SS..Hα-helixtrans-68.2-45.6172.5-70.2164.2000109.4L1284 Q1285 I1286 E1290 L1291 E1292L1284-I1288 WeakPolarHBondContact O-CG1 3.35Å; L1284-I1288 PolarHBondContact O-N 3.48Å; Q1285-I1288 PolarHBondContact O-N 2.71Å; Q1285-I1288 VanDerWaalsContact O-N 3.16Å; I1286-I1288 VanDerWaalsContact C-N 3.34Å; I1286-I1288 PolarHBondContact O-N 3.49Å; I1288-E1290 PolarHBondContact O-N 2.88Å; I1288-L1291 PolarHBondContact O-N 3.1Å; I1288-E1292 HydrophobicContact CG2-CG 4.33Å; I1288-E1292 WeakPolarHBondContact O-CB 3.43Å; I1288-E1292 WeakPolarHBondContact O-CG 3.1Å; I1288-E1292 PolarHBondContact O-N 3.02Å
1289E80.2Confident73.9Confident102 Ų102105.1 Ų105.148%0.47753%0.527SS..Hα-helixtrans-65.1-37.5177.4-70.5170-160.400112.5Q1285 I1286 S1293Q1285-E1289 WeakPolarHBondContact CG-OE1 3.48Å; Q1285-E1289 PolarHBondContact NE2-OE1 3.43Å; Q1285-E1289 WeakPolarHBondContact O-CG 3.36Å; Q1285-E1289 PolarHBondContact O-N 2.86Å; I1286-E1289 PolarHBondContact O-N 2.84Å; E1289-S1293 VanDerWaalsContact O-CB 3.29Å; E1289-S1293 WeakPolarHBondContact O-CB 3.34Å; E1289-S1293 PolarHBondContact O-N 3.45Å
1290E78.5Confident72.5Confident118 Ų118105.3 Ų105.355%0.55153%0.533SS*.Hα-helixtrans-62.6-44.5170.8-76.2176.5163.400111.9I1286 I1288 M1294I1286-E1290 HydrophobicContact CG2-CG 4.34Å; I1286-E1290 WeakPolarHBondContact O-CB 3.44Å; I1286-E1290 WeakPolarHBondContact O-CG 3.35Å; I1286-E1290 PolarHBondContact O-N 2.84Å; I1288-E1290 PolarHBondContact O-N 2.88Å; E1290-M1294 WeakPolarHBondContact O-CB 3.38Å; E1290-M1294 PolarHBondContact O-N 3.46Å
1291L73.1Confident71.4Confident118 Ų118107 Ų10762%0.61854%0.537SS*.Hα-helixtrans-68.6-41.3177.8-75.2169000112.1K1287 I1288 M1294 N1295K1287-L1291 WeakPolarHBondContact O-CB 3.4Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.28Å; K1287-L1291 WeakPolarHBondContact O-CG 3.23Å; K1287-L1291 PolarHBondContact O-N 3.27Å; I1288-L1291 PolarHBondContact O-N 3.1Å; L1291-M1294 PolarHBondContact O-N 2.88Å; L1291-N1295 WeakPolarHBondContact O-CB 3.13Å; L1291-N1295 PolarHBondContact O-N 3.31Å
1292E72.9Confident70Confident121 Ų121104.6 Ų104.657%0.56553%0.53SS*.Hα-helixtrans-62.8-43.8174.8-75-179.5173.700111.1I1288 N1295 M1296I1288-E1292 HydrophobicContact CG2-CG 4.33Å; I1288-E1292 WeakPolarHBondContact O-CB 3.43Å; I1288-E1292 WeakPolarHBondContact O-CG 3.1Å; I1288-E1292 PolarHBondContact O-N 3.02Å; E1292-N1295 PolarHBondContact O-N 3.27Å; E1292-M1296 WeakPolarHBondContact O-CG 3.26Å; E1292-M1296 PolarHBondContact O-N 3.43Å
1293S75.9Confident68.6Low71 Ų71106.2 Ų106.250%0.49754%0.535SS..Hα-helixtrans-63.9-40.2175-169.40000112.4E1289 M1296 E1297E1289-S1293 VanDerWaalsContact O-CB 3.29Å; E1289-S1293 WeakPolarHBondContact O-CB 3.34Å; E1289-S1293 PolarHBondContact O-N 3.45Å; S1293-M1296 WeakPolarHBondContact O-CB 3.33Å; S1293-M1296 PolarHBondContact O-N 3.28Å; S1293-E1297 PolarHBondContact O-N 3.35Å
1294M72.7Confident67.1Low111 Ų111109.4 Ų109.455%0.54755%0.547SS..Hα-helixtrans-67.8-37.3177.3-167.7176-63.200111.7E1290 L1291 M1296 E1297 I1298E1290-M1294 WeakPolarHBondContact O-CB 3.38Å; E1290-M1294 PolarHBondContact O-N 3.46Å; L1291-M1294 PolarHBondContact O-N 2.88Å; M1294-M1296 VanDerWaalsContact C-N 3.34Å; M1294-E1297 PolarHBondContact O-N 2.86Å; M1294-I1298 HydrophobicContact CG-CD1 4.17Å; M1294-I1298 WeakPolarHBondContact O-CD1 3.17Å; M1294-I1298 VanDerWaalsContact O-CG1 3.27Å; M1294-I1298 WeakPolarHBondContact O-CG1 3.19Å; M1294-I1298 PolarHBondContact O-N 3.49Å
1295N68Low65.6Low118 Ų118110.1 Ų110.163%0.63155%0.551SS**Hα-helixtrans-66.7-36.6175.3-133.910.7000111.6L1291 E1292 N1299L1291-N1295 WeakPolarHBondContact O-CB 3.13Å; L1291-N1295 PolarHBondContact O-N 3.31Å; E1292-N1295 PolarHBondContact O-N 3.27Å; N1295-N1299 WeakPolarHBondContact O-CB 3.5Å; N1295-N1299 PolarHBondContact O-N 3.39Å; N1295-N1299 VanDerWaalsContact O-N 3.09Å
1296M67.3Low63.6Low122 Ų122112.4 Ų112.460%0.60156%0.562SS**Hα-helixtrans-62.9-49.4171.9-75.2-73.5-66.900111.9E1292 S1293 M1294 I1298 N1299 D1300E1292-M1296 WeakPolarHBondContact O-CG 3.26Å; E1292-M1296 PolarHBondContact O-N 3.43Å; S1293-M1296 WeakPolarHBondContact O-CB 3.33Å; S1293-M1296 PolarHBondContact O-N 3.28Å; M1294-M1296 VanDerWaalsContact C-N 3.34Å; M1296-I1298 VanDerWaalsContact C-N 3.32Å; M1296-I1298 PolarHBondContact O-N 3.25Å; M1296-N1299 PolarHBondContact O-N 3.49Å; M1296-D1300 PolarHBondContact O-N 3.37Å
1297E60.3Low61.7Low129 Ų129116.2 Ų116.260%0.60358%0.578SS**Hα-helixtrans-62-36.8178.2-76.2-163.3133.900112.9S1293 M1294 N1301S1293-E1297 PolarHBondContact O-N 3.35Å; M1294-E1297 PolarHBondContact O-N 2.86Å; E1297-N1301 WeakPolarHBondContact O-CB 3.24Å; E1297-N1301 PolarHBondContact O-N 3.08Å; E1297-N1301 PolarHBondContact O-ND2 3.29Å
1298I58.9Low60.1Low111 Ų111118.4 Ų118.457%0.56960%0.595SS**Hα-helixtrans-65.9-43175.8-70.4166.2000110.9M1294 M1296 S1302M1294-I1298 HydrophobicContact CG-CD1 4.17Å; M1294-I1298 WeakPolarHBondContact O-CD1 3.17Å; M1294-I1298 VanDerWaalsContact O-CG1 3.27Å; M1294-I1298 WeakPolarHBondContact O-CG1 3.19Å; M1294-I1298 PolarHBondContact O-N 3.49Å; M1296-I1298 VanDerWaalsContact C-N 3.32Å; M1296-I1298 PolarHBondContact O-N 3.25Å; I1298-S1302 PolarHBondContact O-N 2.87Å
1299N52.9Low58.5Low86 Ų86121 Ų12146%0.4661%0.608SS.*Hα-helixtrans-68.7-45.3-178.3-162.5-9.2000112N1295 M1296 S1302 K1303N1295-N1299 WeakPolarHBondContact O-CB 3.5Å; N1295-N1299 PolarHBondContact O-N 3.39Å; N1295-N1299 VanDerWaalsContact O-N 3.09Å; M1296-N1299 PolarHBondContact O-N 3.49Å; N1299-S1302 PolarHBondContact O-N 3.43Å; N1299-S1302 PolarHBondContact O-OG 3.33Å; N1299-K1303 PolarHBondContact OD1-NZ 2.87Å
1300D51.9Low56.6Low113 Ų113125 Ų12560%0.60462%0.619SS**Hα-helixtrans-71.1-38.7-178.5-89.4-13.1000113.3M1296 S1302 K1303M1296-D1300 PolarHBondContact O-N 3.37Å; D1300-S1302 VanDerWaalsContact C-N 3.27Å; D1300-S1302 PolarHBondContact O-N 3.42Å; D1300-K1303 PolarHBondContact O-N 3.11Å
1301N53.5Low55Low98 Ų98126 Ų12652%0.52463%0.628SS.*Hα-helixtrans-67.4-27.4178.3-79.2-65.7000112.9E1297 K1303E1297-N1301 WeakPolarHBondContact O-CB 3.24Å; E1297-N1301 PolarHBondContact O-N 3.08Å; E1297-N1301 PolarHBondContact O-ND2 3.29Å; N1301-K1303 PolarHBondContact O-N 3.28Å
1302S47.1Very low53.9Low61 Ų61129 Ų12943%0.42764%0.639SS.*Hα-helixtrans-60.2-28.5-179.574.90000113.9I1298 N1299 D1300I1298-S1302 PolarHBondContact O-N 2.87Å; N1299-S1302 PolarHBondContact O-N 3.43Å; N1299-S1302 PolarHBondContact O-OG 3.33Å; D1300-S1302 VanDerWaalsContact C-N 3.27Å; D1300-S1302 PolarHBondContact O-N 3.42Å
1303K50Low52.9Low163 Ų163127.8 Ų127.871%0.70964%0.636SS**THydrogen-bonded Turntrans-97.16.5-168-77.3165.1-178.8152.70115.4N1299 D1300 N1301N1299-K1303 PolarHBondContact OD1-NZ 2.87Å; D1300-K1303 PolarHBondContact O-N 3.11Å; N1301-K1303 PolarHBondContact O-N 3.28Å
1304K49.6Very low51.5Low180 Ų180127.2 Ų127.278%0.78363%0.631SS**THydrogen-bonded Turntrans-135.6-20.6-168-138.1168.3-172.5171.20119
1305N44.4Very low50.3Low109 Ų109128.8 Ų128.858%0.58364%0.642SS**SBendtrans-114.32.7-172-72.6-11.2000115.3Q1307N1305-Q1307 VanDerWaalsContact C-N 3.29Å; N1305-Q1307 PolarHBondContact O-N 3.22Å
1306Q39.6Very low49.8Very low150 Ų150126.6 Ų126.670%0.70164%0.636SS**THydrogen-bonded Turntrans-76.2-3.8-174.8-83.8-169.9-16.700115.7W1310Q1306-W1310 VanDerWaalsContact O-CD1 3.28Å; Q1306-W1310 PolarHBondContact O-NE1 3.01Å
1307Q42.4Very low49.2Very low171 Ų171125 Ų12580%0.79963%0.629SS**THydrogen-bonded Turntrans-88.4-37.1-177.6-157.572.64900113.9N1305N1305-Q1307 VanDerWaalsContact C-N 3.29Å; N1305-Q1307 PolarHBondContact O-N 3.22Å
1308D46Very low49.3Very low153 Ų153121.9 Ų121.982%0.81862%0.622SS**THydrogen-bonded Turntrans-110.5-1.2-161.5-64.8-19.4000114.9
1309L43Very low49.8Very low135 Ų135123.7 Ų123.771%0.70763%0.628SS**SBendtrans-104.30.1-171.6-137.279.6000115.6
1310W41.3Very low50.7Low187 Ų187124.5 Ų124.571%0.70863%0.631SS**G310 helixtrans-74.8-26.3-169.6-73.850.4000113.8Q1306 H1312 C1314Q1306-W1310 VanDerWaalsContact O-CD1 3.28Å; Q1306-W1310 PolarHBondContact O-NE1 3.01Å; W1310-H1312 PolarHBondContact O-N 2.81Å; W1310-C1314 PolarHBondContact O-SG 2.95Å
1311D44.7Very low51.6Low138 Ų138124.1 Ų124.174%0.73863%0.625SS**G310 helixtrans-81.2-5.9-168.6-73.7-7.3000115.7
1312H48.9Very low52.5Low183 Ų183126.2 Ų126.285%0.84763%0.632SS**G310 helixtrans-130.38.5-163.8-87.318.6000116.7W1310W1310-H1312 PolarHBondContact O-N 2.81Å
1313N51.8Low53.8Low95 Ų95127.2 Ų127.251%0.50863%0.632SS.*SBendtrans-136.526.3170.9-162.331.8000112.2D1315 I1317N1313-D1315 PolarHBondContact O-N 3.48Å; N1313-I1317 HydrophobicContact CB-CD1 3.83Å; N1313-I1317 HydrophobicContact CB-CG1 4.29Å; N1313-I1317 WeakPolarHBondContact O-CB 3.18Å; N1313-I1317 WeakPolarHBondContact O-CG1 3.32Å; N1313-I1317 PolarHBondContact O-N 3.27Å; N1313-I1317 VanDerWaalsContact O-N 3.15Å
1314C46.2Very low55Low58 Ų58126.2 Ų126.239%0.39263%0.625SS.*Hα-helixtrans-58.1-47.4-166.9-51.10000112.8W1310 S1316 I1317 S1318W1310-C1314 PolarHBondContact O-SG 2.95Å; C1314-S1316 PolarHBondContact O-N 2.94Å; C1314-I1317 CarbonylContact O-C 3.57Å; C1314-I1317 PolarHBondContact O-N 3.46Å; C1314-S1318 VanDerWaalsContact O-CB 3.24Å; C1314-S1318 WeakPolarHBondContact O-CB 3.44Å; C1314-S1318 PolarHBondContact O-N 2.8Å; C1314-S1318 PolarHBondContact O-OG 2.79Å
1315D47.5Very low56.2Low145 Ų145121.4 Ų121.478%0.77561%0.606SS**Hα-helixtrans-60.3-49-170.4-58.5-11.2000113.3N1313 S1318 E1319N1313-D1315 PolarHBondContact O-N 3.48Å; D1315-S1318 PolarHBondContact O-N 3.45Å; D1315-E1319 PolarHBondContact O-N 3.34Å
1316S58.1Low58.1Low72 Ų72121.8 Ų121.850%0.50361%0.605SS.*Hα-helixtrans-79.5-24.9177.9-620000113.6C1314 I1320C1314-S1316 PolarHBondContact O-N 2.94Å; S1316-I1320 WeakPolarHBondContact O-CG1 3.34Å; S1316-I1320 PolarHBondContact O-N 2.92Å
1317I55.3Low59.8Low87 Ų87119.1 Ų119.145%0.44659%0.593SS.*Hα-helixtrans-72.1-35.3170-69.4-179.8000110.3N1313 C1314 I1320 H1321N1313-I1317 HydrophobicContact CB-CD1 3.83Å; N1313-I1317 HydrophobicContact CB-CG1 4.29Å; N1313-I1317 WeakPolarHBondContact O-CB 3.18Å; N1313-I1317 WeakPolarHBondContact O-CG1 3.32Å; N1313-I1317 PolarHBondContact O-N 3.27Å; N1313-I1317 VanDerWaalsContact O-N 3.15Å; C1314-I1317 CarbonylContact O-C 3.57Å; C1314-I1317 PolarHBondContact O-N 3.46Å; I1317-I1320 PolarHBondContact O-N 3.07Å; I1317-H1321 WeakPolarHBondContact O-CA 3.46Å; I1317-H1321 WeakPolarHBondContact O-CB 3.26Å; I1317-H1321 PolarHBondContact O-N 3.43Å
1318S61.3Low61.5Low65 Ų65114.7 Ų114.746%0.45557%0.574SS.*Hα-helixtrans-63.8-44.4176.6-82.50000111.7C1314 D1315 I1320 H1321 E1322C1314-S1318 VanDerWaalsContact O-CB 3.24Å; C1314-S1318 WeakPolarHBondContact O-CB 3.44Å; C1314-S1318 PolarHBondContact O-N 2.8Å; C1314-S1318 PolarHBondContact O-OG 2.79Å; D1315-S1318 PolarHBondContact O-N 3.45Å; S1318-I1320 VanDerWaalsContact C-N 3.32Å; S1318-I1320 PolarHBondContact O-N 2.95Å; S1318-H1321 PolarHBondContact O-N 2.85Å; S1318-E1322 WeakPolarHBondContact O-CB 3.49Å; S1318-E1322 WeakPolarHBondContact O-CG 3.45Å; S1318-E1322 PolarHBondContact O-N 3.48Å
1319E70.5Confident62.8Low148 Ų148111.1 Ų111.169%0.69255%0.552SS**Hα-helixtrans-64.3-36.9177.6-166.6174.9-136.600112.1D1315 N1323D1315-E1319 PolarHBondContact O-N 3.34Å; E1319-N1323 WeakPolarHBondContact O-CB 3.38Å; E1319-N1323 PolarHBondContact O-N 3.34Å
1320I71.2Confident64.6Low103 Ų103109.2 Ų109.253%0.52854%0.542SS..Hα-helixtrans-71.8-40.6173.8-67.6172.4000111.2S1316 I1317 S1318 N1323 Y1324S1316-I1320 WeakPolarHBondContact O-CG1 3.34Å; S1316-I1320 PolarHBondContact O-N 2.92Å; I1317-I1320 PolarHBondContact O-N 3.07Å; S1318-I1320 VanDerWaalsContact C-N 3.32Å; S1318-I1320 PolarHBondContact O-N 2.95Å; I1320-N1323 PolarHBondContact O-N 3.4Å; I1320-Y1324 HydrophobicContact CG2-CD2 3.74Å; I1320-Y1324 HydrophobicContact CG2-CE2 3.83Å; I1320-Y1324 WeakPolarHBondContact O-CD2 3.4Å; I1320-Y1324 PolarHBondContact O-N 2.76Å
1321H70.5Confident66.4Low106 Ų106105.5 Ų105.549%0.49154%0.536SS..Hα-helixtrans-69.7-39.8180-170.7-23.1000111I1317 S1318 N1323 Y1324 Q1325I1317-H1321 WeakPolarHBondContact O-CA 3.46Å; I1317-H1321 WeakPolarHBondContact O-CB 3.26Å; I1317-H1321 PolarHBondContact O-N 3.43Å; S1318-H1321 PolarHBondContact O-N 2.85Å; H1321-N1323 VanDerWaalsContact C-N 3.32Å; H1321-N1323 PolarHBondContact O-N 3.19Å; H1321-Y1324 PolarHBondContact O-N 2.82Å; H1321-Q1325 PolarHBondContact CE1-OE1 2.87Å; H1321-Q1325 WeakPolarHBondContact O-CA 3.34Å; H1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; H1321-Q1325 PolarHBondContact O-N 3.3Å
1322E72.3Confident68.1Low142 Ų142103.5 Ų103.566%0.66452%0.52SS*.Hα-helixtrans-62.6-39.8172.5-77.5-171.7150.900111.1S1318 Q1325 M1326S1318-E1322 WeakPolarHBondContact O-CB 3.49Å; S1318-E1322 WeakPolarHBondContact O-CG 3.45Å; S1318-E1322 PolarHBondContact O-N 3.48Å; E1322-Q1325 PolarHBondContact O-N 3.2Å; E1322-M1326 WeakPolarHBondContact O-CB 3.19Å; E1322-M1326 PolarHBondContact O-N 3.23Å
1323N76.1Confident69.5Low81 Ų8198.2 Ų98.243%0.43350%0.501SS..Hα-helixtrans-68-43.4177.9-162-18.2000112.1E1319 I1320 H1321 M1326 Q1327E1319-N1323 WeakPolarHBondContact O-CB 3.38Å; E1319-N1323 PolarHBondContact O-N 3.34Å; I1320-N1323 PolarHBondContact O-N 3.4Å; H1321-N1323 VanDerWaalsContact C-N 3.32Å; H1321-N1323 PolarHBondContact O-N 3.19Å; N1323-M1326 PolarHBondContact O-N 2.86Å; N1323-Q1327 WeakPolarHBondContact O-CG 3.45Å; N1323-Q1327 PolarHBondContact O-N 2.72Å; N1323-Q1327 PolarHBondContact OD1-NE2 3.4Å; N1323-Q1327 VanDerWaalsContact OD1-NE2 3.08Å
1324Y75.3Confident70.8Confident142 Ų14299.3 Ų99.356%0.55750%0.503SS*.Hα-helixtrans-68-38.3171.7-83.1-63.7000112.8I1320 H1321 M1326 Q1327 I1328I1320-Y1324 HydrophobicContact CG2-CD2 3.74Å; I1320-Y1324 HydrophobicContact CG2-CE2 3.83Å; I1320-Y1324 WeakPolarHBondContact O-CD2 3.4Å; I1320-Y1324 PolarHBondContact O-N 2.76Å; H1321-Y1324 PolarHBondContact O-N 2.82Å; Y1324-M1326 VanDerWaalsContact C-N 3.33Å; Y1324-M1326 PolarHBondContact O-N 2.86Å; Y1324-Q1327 PolarHBondContact O-N 2.78Å; Y1324-I1328 WeakPolarHBondContact O-CB 3.42Å; Y1324-I1328 VanDerWaalsContact O-CG1 3.22Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.29Å; Y1324-I1328 PolarHBondContact O-N 2.92Å
1325Q74.5Confident72.3Confident80 Ų80102.7 Ų102.737%0.37451%0.513SS..Hα-helixtrans-63-42.7175.9-165.878.1-0.300110H1321 E1322 I1328 E1329H1321-Q1325 PolarHBondContact CE1-OE1 2.87Å; H1321-Q1325 WeakPolarHBondContact O-CA 3.34Å; H1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; H1321-Q1325 PolarHBondContact O-N 3.3Å; E1322-Q1325 PolarHBondContact O-N 3.2Å; Q1325-I1328 CarbonylContact O-C 3.51Å; Q1325-I1328 PolarHBondContact O-N 2.7Å; Q1325-E1329 WeakPolarHBondContact O-CG 3.48Å; Q1325-E1329 PolarHBondContact O-N 3.46Å
1326M83.1Confident73.8Confident116 Ų11697.7 Ų97.757%0.57149%0.492SS*.Hα-helixtrans-65.8-36.8176.1-177.116855.800112.2E1322 N1323 Y1324 L1330E1322-M1326 WeakPolarHBondContact O-CB 3.19Å; E1322-M1326 PolarHBondContact O-N 3.23Å; N1323-M1326 PolarHBondContact O-N 2.86Å; Y1324-M1326 VanDerWaalsContact C-N 3.33Å; Y1324-M1326 PolarHBondContact O-N 2.86Å; M1326-L1330 WeakPolarHBondContact O-CB 3.28Å; M1326-L1330 PolarHBondContact O-N 3.29Å
1327Q76.2Confident74.9Confident94 Ų9498.7 Ų98.744%0.43949%0.492SS..Hα-helixtrans-68.2-36.2170.9-73.5174.950.200112.4N1323 Y1324 L1330 L1331N1323-Q1327 WeakPolarHBondContact O-CG 3.45Å; N1323-Q1327 PolarHBondContact O-N 2.72Å; N1323-Q1327 PolarHBondContact OD1-NE2 3.4Å; N1323-Q1327 VanDerWaalsContact OD1-NE2 3.08Å; Y1324-Q1327 PolarHBondContact O-N 2.78Å; Q1327-L1330 PolarHBondContact O-N 2.95Å; Q1327-L1331 WeakPolarHBondContact O-CB 3.36Å; Q1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Q1327-L1331 PolarHBondContact O-N 2.66Å
1328I77.5Confident76Confident79 Ų7997.9 Ų97.941%0.40549%0.493SS..Hα-helixtrans-68.6-41.1174.7-72.2167.3000110.9Y1324 Q1325 L1331 K1332Y1324-I1328 WeakPolarHBondContact O-CB 3.42Å; Y1324-I1328 VanDerWaalsContact O-CG1 3.22Å; Y1324-I1328 WeakPolarHBondContact O-CG1 3.29Å; Y1324-I1328 PolarHBondContact O-N 2.92Å; Q1325-I1328 CarbonylContact O-C 3.51Å; Q1325-I1328 PolarHBondContact O-N 2.7Å; I1328-L1331 PolarHBondContact O-N 3.03Å; I1328-K1332 HydrophobicContact CG2-CD 4.05Å; I1328-K1332 HydrophobicContact CG2-CG 4.47Å; I1328-K1332 WeakPolarHBondContact O-CB 3.18Å; I1328-K1332 WeakPolarHBondContact O-CG 3.24Å; I1328-K1332 PolarHBondContact O-N 3.37Å
1329E74.3Confident76.7Confident78 Ų7898.8 Ų98.836%0.36449%0.492SS..Hα-helixtrans-70.3-31.8174-65.4-47.4136.700112.3Q1325 K1332 T1333Q1325-E1329 WeakPolarHBondContact O-CG 3.48Å; Q1325-E1329 PolarHBondContact O-N 3.46Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.34Å; E1329-K1332 IonicContact OE1-NZ 2.62Å; E1329-K1332 PolarHBondContact OE1-NZ 2.92Å; E1329-K1332 VanDerWaalsContact OE2-CD 3.27Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.34Å; E1329-K1332 IonicContact OE2-NZ 2.66Å; E1329-T1333 WeakPolarHBondContact O-CB 3.45Å; E1329-T1333 WeakPolarHBondContact O-CG2 3.24Å; E1329-T1333 PolarHBondContact O-N 3.4Å; E1329-T1333 PolarHBondContact O-OG1 3.39Å
1330L80Confident77.1Confident95 Ų9598.1 Ų98.150%0.49749%0.489SS..Hα-helixtrans-62.7-51168.2-97.4161.2000111.3M1326 Q1327 K1332 T1333 E1334M1326-L1330 WeakPolarHBondContact O-CB 3.28Å; M1326-L1330 PolarHBondContact O-N 3.29Å; Q1327-L1330 PolarHBondContact O-N 2.95Å; L1330-K1332 VanDerWaalsContact C-N 3.33Å; L1330-K1332 PolarHBondContact O-N 3.47Å; L1330-T1333 WeakPolarHBondContact CA-OG1 3.36Å; L1330-T1333 PolarHBondContact O-N 3.33Å; L1330-T1333 VanDerWaalsContact O-N 3.15Å; L1330-T1333 PolarHBondContact O-OG1 2.87Å; L1330-T1333 VanDerWaalsContact O-OG1 3.06Å; L1330-E1334 WeakPolarHBondContact O-CB 3.44Å; L1330-E1334 WeakPolarHBondContact O-CG 3.18Å; L1330-E1334 PolarHBondContact O-N 2.79Å
1331L79.3Confident77.4Confident109 Ų10998.2 Ų98.257%0.57149%0.487SS*.Hα-helixtrans-63-37177-76167.1000112.4Q1327 I1328 Q1335Q1327-L1331 WeakPolarHBondContact O-CB 3.36Å; Q1327-L1331 WeakPolarHBondContact O-CG 3.33Å; Q1327-L1331 PolarHBondContact O-N 2.66Å; I1328-L1331 PolarHBondContact O-N 3.03Å; L1331-Q1335 WeakPolarHBondContact O-CB 3.2Å; L1331-Q1335 PolarHBondContact O-N 2.73Å
1332K80Confident77.6Confident96 Ų9697.7 Ų97.742%0.41749%0.486SS..Hα-helixtrans-65.4-40.1172.3-76.6167.1177.8178.50112.3I1328 E1329 L1330 A1336I1328-K1332 HydrophobicContact CG2-CD 4.05Å; I1328-K1332 HydrophobicContact CG2-CG 4.47Å; I1328-K1332 WeakPolarHBondContact O-CB 3.18Å; I1328-K1332 WeakPolarHBondContact O-CG 3.24Å; I1328-K1332 PolarHBondContact O-N 3.37Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.34Å; E1329-K1332 IonicContact OE1-NZ 2.62Å; E1329-K1332 PolarHBondContact OE1-NZ 2.92Å; E1329-K1332 VanDerWaalsContact OE2-CD 3.27Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.34Å; E1329-K1332 IonicContact OE2-NZ 2.66Å; L1330-K1332 VanDerWaalsContact C-N 3.33Å; L1330-K1332 PolarHBondContact O-N 3.47Å; K1332-A1336 WeakPolarHBondContact O-CB 3.22Å; K1332-A1336 PolarHBondContact O-N 2.79Å
1333T78.5Confident77.8Confident71 Ų7195.3 Ų95.344%0.43648%0.481SS..Hα-helixtrans-75.3-34.1178.546.10000112E1329 L1330 A1336 N1337E1329-T1333 WeakPolarHBondContact O-CB 3.45Å; E1329-T1333 WeakPolarHBondContact O-CG2 3.24Å; E1329-T1333 PolarHBondContact O-N 3.4Å; E1329-T1333 PolarHBondContact O-OG1 3.39Å; L1330-T1333 WeakPolarHBondContact CA-OG1 3.36Å; L1330-T1333 PolarHBondContact O-N 3.33Å; L1330-T1333 VanDerWaalsContact O-N 3.15Å; L1330-T1333 PolarHBondContact O-OG1 2.87Å; L1330-T1333 VanDerWaalsContact O-OG1 3.06Å; T1333-A1336 PolarHBondContact O-N 3.02Å; T1333-N1337 VanDerWaalsContact O-CB 3.23Å; T1333-N1337 WeakPolarHBondContact O-CB 3.29Å; T1333-N1337 PolarHBondContact O-N 2.64Å; T1333-N1337 PolarHBondContact O-ND2 3.27Å
1334E78.5Confident78Confident119 Ų11996.7 Ų96.756%0.55648%0.48SS*.Hα-helixtrans-63.6-44.5167.7-73.4-176.5165.600111.6L1330 N1337 C1338L1330-E1334 WeakPolarHBondContact O-CB 3.44Å; L1330-E1334 WeakPolarHBondContact O-CG 3.18Å; L1330-E1334 PolarHBondContact O-N 2.79Å; E1334-N1337 PolarHBondContact O-N 3.47Å; E1334-C1338 VanDerWaalsContact O-CB 3.27Å; E1334-C1338 WeakPolarHBondContact O-CB 3.25Å; E1334-C1338 PolarHBondContact O-N 2.85Å
1335Q78.9Confident78Confident128 Ų12894.2 Ų94.260%0.59847%0.474SS*.Hα-helixtrans-64.7-42.2175.2-172.1178.21000111.7L1331 C1338 I1339L1331-Q1335 WeakPolarHBondContact O-CB 3.2Å; L1331-Q1335 PolarHBondContact O-N 2.73Å; Q1335-C1338 PolarHBondContact O-N 3.42Å; Q1335-I1339 HydrophobicContact CG-CD1 4.03Å; Q1335-I1339 WeakPolarHBondContact O-CB 3.42Å; Q1335-I1339 VanDerWaalsContact O-CG1 3.26Å; Q1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; Q1335-I1339 PolarHBondContact O-N 3.43Å
1336A78.9Confident78Confident41 Ų4196.8 Ų96.834%0.33948%0.484SS..Hα-helixtrans-66.1-40.2176.400000111.9K1332 T1333 I1339 Q1340K1332-A1336 WeakPolarHBondContact O-CB 3.22Å; K1332-A1336 PolarHBondContact O-N 2.79Å; T1333-A1336 PolarHBondContact O-N 3.02Å; A1336-I1339 PolarHBondContact O-N 3.08Å; A1336-Q1340 WeakPolarHBondContact O-CB 3.46Å; A1336-Q1340 WeakPolarHBondContact O-CG 3.48Å; A1336-Q1340 PolarHBondContact O-N 3.18Å
1337N80Confident77.7Confident92 Ų9293 Ų9349%0.49248%0.475SS..Hα-helixtrans-64.3-43.9173.3-72.8-20.2000111T1333 E1334 I1339 Q1340 E1341T1333-N1337 VanDerWaalsContact O-CB 3.23Å; T1333-N1337 WeakPolarHBondContact O-CB 3.29Å; T1333-N1337 PolarHBondContact O-N 2.64Å; T1333-N1337 PolarHBondContact O-ND2 3.27Å; E1334-N1337 PolarHBondContact O-N 3.47Å; N1337-I1339 VanDerWaalsContact C-N 3.35Å; N1337-I1339 PolarHBondContact O-N 3.16Å; N1337-Q1340 CarbonylContact O-C 3.57Å; N1337-Q1340 PolarHBondContact O-N 3.17Å; N1337-E1341 WeakPolarHBondContact O-CB 3.49Å; N1337-E1341 WeakPolarHBondContact O-CG 3.19Å; N1337-E1341 PolarHBondContact O-N 3.49Å
1338C78.7Confident77.8Confident70 Ų7093.5 Ų93.547%0.47348%0.477SS..Hα-helixtrans-61.8-41.1175.9-172.90000111.9E1334 Q1335 E1341 M1342E1334-C1338 VanDerWaalsContact O-CB 3.27Å; E1334-C1338 WeakPolarHBondContact O-CB 3.25Å; E1334-C1338 PolarHBondContact O-N 2.85Å; Q1335-C1338 PolarHBondContact O-N 3.42Å; C1338-E1341 PolarHBondContact O-N 2.99Å; C1338-M1342 WeakPolarHBondContact O-CB 3.47Å; C1338-M1342 WeakPolarHBondContact O-CG 3.12Å; C1338-M1342 PolarHBondContact O-N 2.95Å
1339I77Confident77.9Confident85 Ų8595 Ų9544%0.43648%0.481SS..Hα-helixtrans-64.5-45.7172.5-69.9165.8000110.7Q1335 A1336 N1337 E1341 M1342 T1343Q1335-I1339 HydrophobicContact CG-CD1 4.03Å; Q1335-I1339 WeakPolarHBondContact O-CB 3.42Å; Q1335-I1339 VanDerWaalsContact O-CG1 3.26Å; Q1335-I1339 WeakPolarHBondContact O-CG1 3.32Å; Q1335-I1339 PolarHBondContact O-N 3.43Å; A1336-I1339 PolarHBondContact O-N 3.08Å; N1337-I1339 VanDerWaalsContact C-N 3.35Å; N1337-I1339 PolarHBondContact O-N 3.16Å; I1339-E1341 VanDerWaalsContact C-N 3.34Å; I1339-E1341 PolarHBondContact O-N 2.83Å; I1339-M1342 HydrophobicContact CG1-CE 4.3Å; I1339-M1342 PolarHBondContact O-N 3.17Å; I1339-T1343 WeakPolarHBondContact O-CB 3.45Å; I1339-T1343 PolarHBondContact O-N 3.45Å; I1339-T1343 PolarHBondContact O-OG1 3.33Å; I1339-T1343 VanDerWaalsContact O-OG1 3.07Å
1340Q78.6Confident77.7Confident133 Ų13396.4 Ų96.462%0.62149%0.49SS*.Hα-helixtrans-62.2-38.5176.3-76.6-176.713.700112.5A1336 N1337 T1343 R1344A1336-Q1340 WeakPolarHBondContact O-CB 3.46Å; A1336-Q1340 WeakPolarHBondContact O-CG 3.48Å; A1336-Q1340 PolarHBondContact O-N 3.18Å; N1337-Q1340 CarbonylContact O-C 3.57Å; N1337-Q1340 PolarHBondContact O-N 3.17Å; Q1340-T1343 PolarHBondContact O-N 3.05Å; Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 PolarHBondContact O-N 3.32Å
1341E76.8Confident77.6Confident106 Ų10694.2 Ų94.250%0.49548%0.483SS..Hα-helixtrans-66.1-44.5174.9-70-111.490.100111.4N1337 C1338 I1339 R1344 E1345N1337-E1341 WeakPolarHBondContact O-CB 3.49Å; N1337-E1341 WeakPolarHBondContact O-CG 3.19Å; N1337-E1341 PolarHBondContact O-N 3.49Å; C1338-E1341 PolarHBondContact O-N 2.99Å; I1339-E1341 VanDerWaalsContact C-N 3.34Å; I1339-E1341 PolarHBondContact O-N 2.83Å; E1341-R1344 WeakPolarHBondContact O-CB 3.49Å; E1341-R1344 PolarHBondContact O-N 3.27Å; E1341-R1344 IonicContact OE1-CZ 2.68Å; E1341-R1344 IonicContact OE1-NE 2.65Å; E1341-R1344 PolarHBondContact OE1-NE 3.37Å; E1341-R1344 IonicContact OE1-NH2 3.64Å; E1341-R1344 PolarHBondContact OE1-NH2 2.94Å; E1341-E1345 PolarHBondContact O-N 3.49Å
1342M74.6Confident77.5Confident94 Ų9491.8 Ų91.846%0.46347%0.473SS..Hα-helixtrans-62.8-45.9173.6-75-172.4-70.900111.6C1338 I1339 R1344 E1345 F1346C1338-M1342 WeakPolarHBondContact O-CB 3.47Å; C1338-M1342 WeakPolarHBondContact O-CG 3.12Å; C1338-M1342 PolarHBondContact O-N 2.95Å; I1339-M1342 HydrophobicContact CG1-CE 4.3Å; I1339-M1342 PolarHBondContact O-N 3.17Å; M1342-R1344 VanDerWaalsContact C-N 3.31Å; M1342-R1344 PolarHBondContact O-N 2.93Å; M1342-E1345 PolarHBondContact O-N 2.87Å; M1342-F1346 WeakPolarHBondContact O-CB 3.42Å; M1342-F1346 WeakPolarHBondContact O-CD2 3.46Å; M1342-F1346 PolarHBondContact O-N 2.95Å
1343T77.1Confident77.4Confident93 Ų9393.2 Ų93.257%0.57148%0.479SS*.Hα-helixtrans-62.4-37.7175.1-620000111.6I1339 Q1340 F1346 G1347I1339-T1343 WeakPolarHBondContact O-CB 3.45Å; I1339-T1343 PolarHBondContact O-N 3.45Å; I1339-T1343 PolarHBondContact O-OG1 3.33Å; I1339-T1343 VanDerWaalsContact O-OG1 3.07Å; Q1340-T1343 PolarHBondContact O-N 3.05Å; T1343-F1346 PolarHBondContact O-N 2.68Å; T1343-G1347 PolarHBondContact O-N 3.4Å
1344R80.2Confident77.1Confident109 Ų10994.9 Ų94.941%0.41148%0.482SS..Hα-helixtrans-64.3-43.6173.8-176.8-175.862.262.3-4.9111.3Q1340 E1341 M1342 Q1348Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 PolarHBondContact O-N 3.32Å; E1341-R1344 WeakPolarHBondContact O-CB 3.49Å; E1341-R1344 PolarHBondContact O-N 3.27Å; E1341-R1344 IonicContact OE1-CZ 2.68Å; E1341-R1344 IonicContact OE1-NE 2.65Å; E1341-R1344 PolarHBondContact OE1-NE 3.37Å; E1341-R1344 IonicContact OE1-NH2 3.64Å; E1341-R1344 PolarHBondContact OE1-NH2 2.94Å; M1342-R1344 VanDerWaalsContact C-N 3.31Å; M1342-R1344 PolarHBondContact O-N 2.93Å; R1344-Q1348 VanDerWaalsContact NH1-OE1 3.09Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.32Å; R1344-Q1348 VanDerWaalsContact O-CG 3.27Å; R1344-Q1348 WeakPolarHBondContact O-CG 3.34Å; R1344-Q1348 PolarHBondContact O-N 2.92Å
1345E75.5Confident77.1Confident91 Ų9196.2 Ų96.243%0.42548%0.482SS..Hα-helixtrans-66.3-43.4174.2-82.6-153.7-174.400112.7E1341 M1342 Q1348 K1349E1341-E1345 PolarHBondContact O-N 3.49Å; M1342-E1345 PolarHBondContact O-N 2.87Å; E1345-Q1348 PolarHBondContact O-N 2.92Å; E1345-K1349 WeakPolarHBondContact O-CB 3.18Å; E1345-K1349 WeakPolarHBondContact O-CD 3.44Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.27Å; E1345-K1349 PolarHBondContact O-N 2.64Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.31Å; E1345-K1349 IonicContact OE2-NZ 2.64Å; E1345-K1349 PolarHBondContact OE2-NZ 3.16Å
1346F75.1Confident77Confident133 Ų13394.5 Ų94.558%0.58347%0.474SS*.Hα-helixtrans-63.7-41.2176-81.4-64.5000111.3M1342 T1343 K1349 L1350M1342-F1346 WeakPolarHBondContact O-CB 3.42Å; M1342-F1346 WeakPolarHBondContact O-CD2 3.46Å; M1342-F1346 PolarHBondContact O-N 2.95Å; T1343-F1346 PolarHBondContact O-N 2.68Å; F1346-K1349 PolarHBondContact O-N 2.85Å; F1346-L1350 WeakPolarHBondContact O-CB 3.49Å; F1346-L1350 WeakPolarHBondContact O-CG 3.49Å; F1346-L1350 PolarHBondContact O-N 3.33Å
1347G77Confident76.8Confident37 Ų3796.9 Ų96.938%0.38148%0.484SS..Hα-helixtrans-62.9-39.3172.300000113.1T1343 S1351T1343-G1347 PolarHBondContact O-N 3.4Å; G1347-S1351 WeakPolarHBondContact O-CB 3.4Å; G1347-S1351 PolarHBondContact O-N 2.83Å
1348Q78.2Confident76.7Confident105 Ų10598.1 Ų98.149%0.49149%0.489SS..Hα-helixtrans-68.8-36.5174-76.1174.4-14.300112.5R1344 E1345 T1352R1344-Q1348 VanDerWaalsContact NH1-OE1 3.09Å; R1344-Q1348 WeakPolarHBondContact O-CB 3.32Å; R1344-Q1348 VanDerWaalsContact O-CG 3.27Å; R1344-Q1348 WeakPolarHBondContact O-CG 3.34Å; R1344-Q1348 PolarHBondContact O-N 2.92Å; E1345-Q1348 PolarHBondContact O-N 2.92Å; Q1348-T1352 WeakPolarHBondContact O-CB 3.39Å; Q1348-T1352 PolarHBondContact O-N 3.17Å; Q1348-T1352 PolarHBondContact O-OG1 3.27Å
1349K79.6Confident76.7Confident111 Ų11197.1 Ų97.148%0.48349%0.486SS..Hα-helixtrans-69.9-43.7175.4-72.5162.5-171.4165.20111.3E1345 F1346 T1352 K1353E1345-K1349 WeakPolarHBondContact O-CB 3.18Å; E1345-K1349 WeakPolarHBondContact O-CD 3.44Å; E1345-K1349 VanDerWaalsContact O-CG 3.23Å; E1345-K1349 WeakPolarHBondContact O-CG 3.27Å; E1345-K1349 PolarHBondContact O-N 2.64Å; E1345-K1349 WeakPolarHBondContact OE2-CE 3.31Å; E1345-K1349 IonicContact OE2-NZ 2.64Å; E1345-K1349 PolarHBondContact OE2-NZ 3.16Å; F1346-K1349 PolarHBondContact O-N 2.85Å; K1349-T1352 PolarHBondContact O-N 3.02Å; K1349-K1353 PolarHBondContact O-N 3.05Å
1350L70Confident76.4Confident106 Ų10699.1 Ų99.156%0.55549%0.494SS*.Hα-helixtrans-59.3-55.2171.5-78.1166.1000110.9F1346 T1352 K1353 E1354F1346-L1350 WeakPolarHBondContact O-CB 3.49Å; F1346-L1350 WeakPolarHBondContact O-CG 3.49Å; F1346-L1350 PolarHBondContact O-N 3.33Å; L1350-T1352 PolarHBondContact O-N 3.3Å; L1350-T1352 VanDerWaalsContact O-N 3.09Å; L1350-K1353 CarbonylContact O-C 3.57Å; L1350-K1353 WeakPolarHBondContact O-CA 3.4Å; L1350-K1353 PolarHBondContact O-N 2.92Å; L1350-E1354 WeakPolarHBondContact O-CG 3.33Å; L1350-E1354 PolarHBondContact O-N 2.71Å
1351S77.1Confident76.3Confident50 Ų5097.2 Ų97.235%0.3549%0.485SS..Hα-helixtrans-61.6-22.2178-1760000113.8G1347 E1354 R1355G1347-S1351 WeakPolarHBondContact O-CB 3.4Å; G1347-S1351 PolarHBondContact O-N 2.83Å; S1351-E1354 WeakPolarHBondContact CA-OE2 3.24Å; S1351-R1355 WeakPolarHBondContact O-CG 3.29Å; S1351-R1355 PolarHBondContact O-N 2.83Å; S1351-R1355 PolarHBondContact O-NE 3.24Å; S1351-R1355 PolarHBondContact O-NH2 2.77Å
1352T78.2Confident76.5Confident58 Ų5898.3 Ų98.336%0.35649%0.488SS..Hα-helixtrans-78.3-44.2170.3-56.10000111.1Q1348 K1349 L1350 R1355 E1356Q1348-T1352 WeakPolarHBondContact O-CB 3.39Å; Q1348-T1352 PolarHBondContact O-N 3.17Å; Q1348-T1352 PolarHBondContact O-OG1 3.27Å; K1349-T1352 PolarHBondContact O-N 3.02Å; L1350-T1352 PolarHBondContact O-N 3.3Å; L1350-T1352 VanDerWaalsContact O-N 3.09Å; T1352-R1355 PolarHBondContact O-N 3.26Å; T1352-R1355 PolarHBondContact OG1-NH2 3.49Å; T1352-E1356 WeakPolarHBondContact O-CG 3.28Å; T1352-E1356 PolarHBondContact O-N 3.44Å
1353K76.3Confident76.9Confident126 Ų12697.9 Ų97.955%0.54849%0.486SS..Hα-helixtrans-66-36.4174.7-85.8-72171-161.20113.8K1349 L1350 E1356 V1357K1349-K1353 PolarHBondContact O-N 3.05Å; L1350-K1353 CarbonylContact O-C 3.57Å; L1350-K1353 WeakPolarHBondContact O-CA 3.4Å; L1350-K1353 PolarHBondContact O-N 2.92Å; K1353-E1356 WeakPolarHBondContact CD-OE2 3.33Å; K1353-E1356 VanDerWaalsContact CE-OE2 3.26Å; K1353-E1356 WeakPolarHBondContact CE-OE2 3.29Å; K1353-E1356 IonicContact NZ-OE2 2.66Å; K1353-E1356 PolarHBondContact NZ-OE2 3.5Å; K1353-E1356 PolarHBondContact O-N 2.9Å; K1353-V1357 WeakPolarHBondContact O-CB 3.04Å; K1353-V1357 VanDerWaalsContact O-CG2 3.32Å; K1353-V1357 WeakPolarHBondContact O-CG2 3.07Å; K1353-V1357 PolarHBondContact O-N 2.92Å
1354E71.9Confident76.7Confident106 Ų10698.6 Ų98.650%0.49548%0.484SS..Hα-helixtrans-58.5-47170.2-72.3166.4177.500110.6L1350 S1351 E1356 V1357 I1358L1350-E1354 WeakPolarHBondContact O-CG 3.33Å; L1350-E1354 PolarHBondContact O-N 2.71Å; S1351-E1354 WeakPolarHBondContact CA-OE2 3.24Å; E1354-E1356 PolarHBondContact O-N 3.27Å; E1354-V1357 PolarHBondContact O-N 2.98Å; E1354-I1358 WeakPolarHBondContact O-CB 3.36Å; E1354-I1358 WeakPolarHBondContact O-CD1 3.44Å; E1354-I1358 WeakPolarHBondContact O-CG1 3.48Å; E1354-I1358 PolarHBondContact O-N 3.28Å
1355R80.2Confident76.4Confident147 Ų14797.4 Ų97.456%0.55549%0.485SS*.Hα-helixtrans-66.6-34.8176.2-77.7178.1-70.8141.55.4113S1351 T1352 A1359S1351-R1355 WeakPolarHBondContact O-CG 3.29Å; S1351-R1355 PolarHBondContact O-N 2.83Å; S1351-R1355 PolarHBondContact O-NE 3.24Å; S1351-R1355 PolarHBondContact O-NH2 2.77Å; T1352-R1355 PolarHBondContact O-N 3.26Å; T1352-R1355 PolarHBondContact OG1-NH2 3.49Å; R1355-A1359 VanDerWaalsContact O-CB 3.23Å; R1355-A1359 WeakPolarHBondContact O-CB 3.23Å; R1355-A1359 PolarHBondContact O-N 3.38Å
1356E76.4Confident76.5Confident91 Ų9196.7 Ų96.743%0.42548%0.484SS..Hα-helixtrans-66.4-43.2171.9-73.4173.2-154.200111.9T1352 K1353 E1354 A1359 Q1360T1352-E1356 WeakPolarHBondContact O-CG 3.28Å; T1352-E1356 PolarHBondContact O-N 3.44Å; K1353-E1356 WeakPolarHBondContact CD-OE2 3.33Å; K1353-E1356 VanDerWaalsContact CE-OE2 3.26Å; K1353-E1356 WeakPolarHBondContact CE-OE2 3.29Å; K1353-E1356 IonicContact NZ-OE2 2.66Å; K1353-E1356 PolarHBondContact NZ-OE2 3.5Å; K1353-E1356 PolarHBondContact O-N 2.9Å; E1354-E1356 PolarHBondContact O-N 3.27Å; E1356-A1359 PolarHBondContact O-N 3.49Å; E1356-Q1360 WeakPolarHBondContact O-CB 3.48Å; E1356-Q1360 PolarHBondContact O-N 3.18Å
1357V75Confident76.6Confident92 Ų9295.4 Ų95.456%0.55848%0.48SS*.Hα-helixtrans-66.5-42.8176.5169.70000111.1K1353 E1354 A1359 Q1360 Q1361K1353-V1357 WeakPolarHBondContact O-CB 3.04Å; K1353-V1357 VanDerWaalsContact O-CG2 3.32Å; K1353-V1357 WeakPolarHBondContact O-CG2 3.07Å; K1353-V1357 PolarHBondContact O-N 2.92Å; E1354-V1357 PolarHBondContact O-N 2.98Å; V1357-A1359 VanDerWaalsContact C-N 3.32Å; V1357-A1359 PolarHBondContact O-N 2.74Å; V1357-Q1360 PolarHBondContact O-N 3.45Å; V1357-Q1361 VanDerWaalsContact O-CB 3.31Å; V1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; V1357-Q1361 PolarHBondContact O-N 2.78Å
1358I77.2Confident76.6Confident117 Ų11796.7 Ų96.760%0.648%0.481SS*.Hα-helixtrans-63.7-38.1174.6-69.1163.7000110.9E1354 K1362E1354-I1358 WeakPolarHBondContact O-CB 3.36Å; E1354-I1358 WeakPolarHBondContact O-CD1 3.44Å; E1354-I1358 WeakPolarHBondContact O-CG1 3.48Å; E1354-I1358 PolarHBondContact O-N 3.28Å; I1358-K1362 VanDerWaalsContact O-CB 3.29Å; I1358-K1362 WeakPolarHBondContact O-CB 3.47Å; I1358-K1362 PolarHBondContact O-N 2.94Å
1359A78Confident76.6Confident49 Ų4995.7 Ų95.741%0.40548%0.478SS..Hα-helixtrans-67.3-41.317400000112.1R1355 E1356 V1357 K1362 I1363R1355-A1359 VanDerWaalsContact O-CB 3.23Å; R1355-A1359 WeakPolarHBondContact O-CB 3.23Å; R1355-A1359 PolarHBondContact O-N 3.38Å; E1356-A1359 PolarHBondContact O-N 3.49Å; V1357-A1359 VanDerWaalsContact C-N 3.32Å; V1357-A1359 PolarHBondContact O-N 2.74Å; A1359-K1362 PolarHBondContact O-N 3.01Å; A1359-I1363 WeakPolarHBondContact O-CG1 3.37Å; A1359-I1363 PolarHBondContact O-N 3.13Å
1360Q71.1Confident76.6Confident128 Ų12894.1 Ų94.160%0.59848%0.478SS*.Hα-helixtrans-66-45.6177.2-164.469.922.900111.3E1356 V1357 K1362 I1363 E1364E1356-Q1360 WeakPolarHBondContact O-CB 3.48Å; E1356-Q1360 PolarHBondContact O-N 3.18Å; V1357-Q1360 PolarHBondContact O-N 3.45Å; Q1360-K1362 VanDerWaalsContact C-N 3.3Å; Q1360-K1362 PolarHBondContact O-N 3.25Å; Q1360-I1363 PolarHBondContact O-N 3.01Å; Q1360-E1364 PolarHBondContact O-N 3.21Å
1361Q77.7Confident77Confident92 Ų9295 Ų9543%0.4348%0.477SS..Hα-helixtrans-62.5-37.2174.1-171.265.965.600111.2V1357 E1364 N1365V1357-Q1361 VanDerWaalsContact O-CB 3.31Å; V1357-Q1361 WeakPolarHBondContact O-CB 3.48Å; V1357-Q1361 PolarHBondContact O-N 2.78Å; Q1361-E1364 PolarHBondContact O-N 3.18Å; Q1361-N1365 PolarHBondContact NE2-OD1 3.4Å; Q1361-N1365 VanDerWaalsContact O-CB 3.3Å; Q1361-N1365 WeakPolarHBondContact O-CB 3.4Å; Q1361-N1365 PolarHBondContact O-N 3.41Å; Q1361-N1365 PolarHBondContact O-OD1 3.07Å; Q1361-N1365 VanDerWaalsContact O-OD1 3.1Å
1362K80.6Confident76.8Confident130 Ų13096.7 Ų96.757%0.56548%0.482SS*.Hα-helixtrans-64.1-44.2173.1-176175178.3-177.40111.5I1358 A1359 Q1360 E1364 N1365 D1366I1358-K1362 VanDerWaalsContact O-CB 3.29Å; I1358-K1362 WeakPolarHBondContact O-CB 3.47Å; I1358-K1362 PolarHBondContact O-N 2.94Å; A1359-K1362 PolarHBondContact O-N 3.01Å; Q1360-K1362 VanDerWaalsContact C-N 3.3Å; Q1360-K1362 PolarHBondContact O-N 3.25Å; K1362-E1364 VanDerWaalsContact C-N 3.3Å; K1362-E1364 PolarHBondContact O-N 2.86Å; K1362-N1365 PolarHBondContact O-N 2.87Å; K1362-D1366 WeakPolarHBondContact CE-OD2 3.43Å; K1362-D1366 WeakPolarHBondContact O-CB 3.1Å; K1362-D1366 VanDerWaalsContact O-CG 3.23Å; K1362-D1366 PolarHBondContact O-N 3.06Å
1363I82.4Confident76.9Confident84 Ų8499.8 Ų99.843%0.43149%0.491SS..Hα-helixtrans-61.8-39.3176-69.7163.1000111A1359 Q1360 Q1367A1359-I1363 WeakPolarHBondContact O-CG1 3.37Å; A1359-I1363 PolarHBondContact O-N 3.13Å; Q1360-I1363 PolarHBondContact O-N 3.01Å; I1363-Q1367 WeakPolarHBondContact O-CB 3.38Å; I1363-Q1367 VanDerWaalsContact O-CG 3.27Å; I1363-Q1367 WeakPolarHBondContact O-CG 3.29Å; I1363-Q1367 PolarHBondContact O-N 3.27Å
1364E73.8Confident76.8Confident109 Ų10999.7 Ų99.751%0.50949%0.492SS..Hα-helixtrans-67.6-43.1175.3-173159.8-154.100111.9Q1360 Q1361 K1362 Q1367 T1368Q1360-E1364 PolarHBondContact O-N 3.21Å; Q1361-E1364 PolarHBondContact O-N 3.18Å; K1362-E1364 VanDerWaalsContact C-N 3.3Å; K1362-E1364 PolarHBondContact O-N 2.86Å; E1364-Q1367 CarbonylContact O-C 3.58Å; E1364-Q1367 WeakPolarHBondContact O-CB 3.44Å; E1364-Q1367 PolarHBondContact O-N 2.92Å; E1364-Q1367 VanDerWaalsContact O-N 3.16Å; E1364-T1368 PolarHBondContact O-N 2.87Å; E1364-T1368 PolarHBondContact O-OG1 3.26Å
1365N72.6Confident76.9Confident83 Ų8399.6 Ų99.644%0.44449%0.493SS..Hα-helixtrans-64.6-40.5175.6-70.810.9000112.3Q1361 K1362 Q1367 T1368 L1369Q1361-N1365 PolarHBondContact NE2-OD1 3.4Å; Q1361-N1365 VanDerWaalsContact O-CB 3.3Å; Q1361-N1365 WeakPolarHBondContact O-CB 3.4Å; Q1361-N1365 PolarHBondContact O-N 3.41Å; Q1361-N1365 PolarHBondContact O-OD1 3.07Å; Q1361-N1365 VanDerWaalsContact O-OD1 3.1Å; K1362-N1365 PolarHBondContact O-N 2.87Å; N1365-Q1367 VanDerWaalsContact C-N 3.28Å; N1365-Q1367 PolarHBondContact O-N 3.42Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.48Å; N1365-T1368 PolarHBondContact O-N 3.33Å; N1365-T1368 PolarHBondContact O-OG1 2.82Å; N1365-T1368 VanDerWaalsContact O-OG1 3.05Å; N1365-L1369 WeakPolarHBondContact O-CB 3.35Å; N1365-L1369 PolarHBondContact O-N 2.76Å
1366D78.7Confident76.6Confident77 Ų7797.4 Ų97.441%0.41249%0.489SS..Hα-helixtrans-64.8-35174.5-71.3-24.9000110.1K1362 T1370K1362-D1366 WeakPolarHBondContact CE-OD2 3.43Å; K1362-D1366 WeakPolarHBondContact O-CB 3.1Å; K1362-D1366 VanDerWaalsContact O-CG 3.23Å; K1362-D1366 PolarHBondContact O-N 3.06Å; D1366-T1370 WeakPolarHBondContact O-CB 3.39Å; D1366-T1370 PolarHBondContact O-N 3.3Å; D1366-T1370 PolarHBondContact O-OG1 2.87Å
1367Q77.1Confident76.6Confident105 Ų10598.7 Ų98.749%0.49150%0.495SS..Hα-helixtrans-72.1-40.6173.1-75.7178.535.100113.4I1363 E1364 N1365 T1370 K1371I1363-Q1367 WeakPolarHBondContact O-CB 3.38Å; I1363-Q1367 VanDerWaalsContact O-CG 3.27Å; I1363-Q1367 WeakPolarHBondContact O-CG 3.29Å; I1363-Q1367 PolarHBondContact O-N 3.27Å; E1364-Q1367 CarbonylContact O-C 3.58Å; E1364-Q1367 WeakPolarHBondContact O-CB 3.44Å; E1364-Q1367 PolarHBondContact O-N 2.92Å; E1364-Q1367 VanDerWaalsContact O-N 3.16Å; N1365-Q1367 VanDerWaalsContact C-N 3.28Å; N1365-Q1367 PolarHBondContact O-N 3.42Å; Q1367-T1370 PolarHBondContact O-N 3.29Å; Q1367-K1371 WeakPolarHBondContact O-CG 3.27Å; Q1367-K1371 PolarHBondContact O-N 3.21Å
1368T76.2Confident76.9Confident64 Ų6496.3 Ų96.339%0.39348%0.482SS..Hα-helixtrans-69.6-38.1175.453.50000111.2E1364 N1365 T1370 K1371 L1372E1364-T1368 PolarHBondContact O-N 2.87Å; E1364-T1368 PolarHBondContact O-OG1 3.26Å; N1365-T1368 WeakPolarHBondContact CA-OG1 3.48Å; N1365-T1368 PolarHBondContact O-N 3.33Å; N1365-T1368 PolarHBondContact O-OG1 2.82Å; N1365-T1368 VanDerWaalsContact O-OG1 3.05Å; T1368-T1370 VanDerWaalsContact C-N 3.32Å; T1368-T1370 PolarHBondContact O-N 3.38Å; T1368-K1371 PolarHBondContact O-N 3.27Å; T1368-L1372 WeakPolarHBondContact O-CB 3.42Å; T1368-L1372 PolarHBondContact O-N 2.86Å
1369L79.1Confident76.9Confident85 Ų8595.1 Ų95.145%0.44547%0.474SS..Hα-helixtrans-63.5-37.6172.4-177.162.6000111.6N1365 L1372 K1373N1365-L1369 WeakPolarHBondContact O-CB 3.35Å; N1365-L1369 PolarHBondContact O-N 2.76Å; L1369-L1372 PolarHBondContact O-N 3.29Å; L1369-K1373 WeakPolarHBondContact O-CG 3.26Å; L1369-K1373 PolarHBondContact O-N 3.11Å
1370T78.7Confident77Confident77 Ų7796.2 Ų96.247%0.47248%0.479SS..Hα-helixtrans-65.1-41.7173.4-58.90000111.6D1366 Q1367 T1368 K1373 Q1374D1366-T1370 WeakPolarHBondContact O-CB 3.39Å; D1366-T1370 PolarHBondContact O-N 3.3Å; D1366-T1370 PolarHBondContact O-OG1 2.87Å; Q1367-T1370 PolarHBondContact O-N 3.29Å; T1368-T1370 VanDerWaalsContact C-N 3.32Å; T1368-T1370 PolarHBondContact O-N 3.38Å; T1370-K1373 PolarHBondContact O-N 2.88Å; T1370-Q1374 WeakPolarHBondContact O-CG 3.19Å; T1370-Q1374 PolarHBondContact O-N 3.34Å
1371K80Confident77.4Confident124 Ų12495.5 Ų95.554%0.53948%0.476SS..Hα-helixtrans-66.3-38.6174.6-70.7167.1-175.5168.80112.3Q1367 T1368 Q1374 M1375Q1367-K1371 WeakPolarHBondContact O-CG 3.27Å; Q1367-K1371 PolarHBondContact O-N 3.21Å; T1368-K1371 PolarHBondContact O-N 3.27Å; K1371-Q1374 PolarHBondContact O-N 3.4Å; K1371-M1375 WeakPolarHBondContact O-CB 3.35Å; K1371-M1375 PolarHBondContact O-N 3.02Å
1372L72.4Confident77.4Confident86 Ų8696 Ų9645%0.4548%0.476SS..Hα-helixtrans-61-50.6172.7-93.1162.7000110.5T1368 L1369 Q1374 M1375 E1376T1368-L1372 WeakPolarHBondContact O-CB 3.42Å; T1368-L1372 PolarHBondContact O-N 2.86Å; L1369-L1372 PolarHBondContact O-N 3.29Å; L1372-Q1374 VanDerWaalsContact C-N 3.28Å; L1372-Q1374 PolarHBondContact O-N 3.48Å; L1372-M1375 CarbonylContact O-C 3.57Å; L1372-M1375 WeakPolarHBondContact O-CA 3.39Å; L1372-M1375 WeakPolarHBondContact O-CB 3.3Å; L1372-M1375 PolarHBondContact O-N 3.5Å; L1372-E1376 WeakPolarHBondContact O-CG 3.25Å; L1372-E1376 PolarHBondContact O-N 2.69Å
1373K78.7Confident77.2Confident124 Ų12494.6 Ų94.654%0.53947%0.474SS..Hα-helixtrans-60.1-34.5176.5-73.6-173.8175.9-165.70113.8L1369 T1370 E1376 Q1377L1369-K1373 WeakPolarHBondContact O-CG 3.26Å; L1369-K1373 PolarHBondContact O-N 3.11Å; T1370-K1373 PolarHBondContact O-N 2.88Å; K1373-E1376 WeakPolarHBondContact CA-OE2 3.43Å; K1373-Q1377 VanDerWaalsContact O-CB 3.26Å; K1373-Q1377 WeakPolarHBondContact O-CB 3.31Å; K1373-Q1377 PolarHBondContact O-N 2.88Å
1374Q75Confident77.1Confident124 Ų12493.1 Ų93.158%0.57948%0.475SS*.Hα-helixtrans-67.9-35.2171.6-74173.2-10.800112.5T1370 K1371 L1372 S1378T1370-Q1374 WeakPolarHBondContact O-CG 3.19Å; T1370-Q1374 PolarHBondContact O-N 3.34Å; K1371-Q1374 PolarHBondContact O-N 3.4Å; L1372-Q1374 VanDerWaalsContact C-N 3.28Å; L1372-Q1374 PolarHBondContact O-N 3.48Å; Q1374-S1378 WeakPolarHBondContact O-CB 3.29Å; Q1374-S1378 PolarHBondContact O-N 3.14Å
1375M74.1Confident77.4Confident103 Ų10394.9 Ų94.951%0.50748%0.478SS..Hα-helixtrans-72.9-44.1175.7-161.3-173.2-50.800111.7K1371 L1372 S1378 H1379K1371-M1375 WeakPolarHBondContact O-CB 3.35Å; K1371-M1375 PolarHBondContact O-N 3.02Å; L1372-M1375 CarbonylContact O-C 3.57Å; L1372-M1375 WeakPolarHBondContact O-CA 3.39Å; L1372-M1375 WeakPolarHBondContact O-CB 3.3Å; L1372-M1375 PolarHBondContact O-N 3.5Å; M1375-S1378 CarbonylContact O-C 3.57Å; M1375-S1378 PolarHBondContact O-N 3.43Å; M1375-H1379 WeakPolarHBondContact O-CB 3.48Å; M1375-H1379 VanDerWaalsContact O-CG 3.23Å; M1375-H1379 PolarHBondContact O-N 2.92Å
1376E74Confident77.7Confident102 Ų10296.5 Ų96.548%0.47748%0.481SS..Hα-helixtrans-57.1-48.8171.6-71170.4161.600110.6L1372 K1373 S1378 H1379 S1380L1372-E1376 WeakPolarHBondContact O-CG 3.25Å; L1372-E1376 PolarHBondContact O-N 2.69Å; K1373-E1376 WeakPolarHBondContact CA-OE2 3.43Å; E1376-S1378 PolarHBondContact O-N 3.1Å; E1376-H1379 CarbonylContact O-C 3.56Å; E1376-H1379 WeakPolarHBondContact O-CA 3.49Å; E1376-H1379 PolarHBondContact O-N 3.36Å; E1376-S1380 PolarHBondContact O-N 3.31Å; E1376-S1380 PolarHBondContact O-OG 2.82Å
1377Q77.4Confident77.8Confident118 Ų11898.9 Ų98.955%0.55149%0.49SS*.Hα-helixtrans-60.5-44.3175.7-174.2-179.9-24.900111.4K1373 H1379 S1380 E1381K1373-Q1377 VanDerWaalsContact O-CB 3.26Å; K1373-Q1377 WeakPolarHBondContact O-CB 3.31Å; K1373-Q1377 PolarHBondContact O-N 2.88Å; Q1377-H1379 PolarHBondContact O-N 2.9Å; Q1377-S1380 PolarHBondContact O-N 2.86Å; Q1377-E1381 WeakPolarHBondContact CG-OE1 3.26Å; Q1377-E1381 PolarHBondContact NE2-OE1 3.44Å; Q1377-E1381 WeakPolarHBondContact O-CB 3.36Å; Q1377-E1381 WeakPolarHBondContact O-CG 3.47Å; Q1377-E1381 PolarHBondContact O-N 3.32Å
1378S79.7Confident78Confident41 Ų41100.5 Ų100.529%0.28750%0.497SS..Hα-helixtrans-63.9-27.7174.6-173.20000113.1Q1374 M1375 E1376 K1382Q1374-S1378 WeakPolarHBondContact O-CB 3.29Å; Q1374-S1378 PolarHBondContact O-N 3.14Å; M1375-S1378 CarbonylContact O-C 3.57Å; M1375-S1378 PolarHBondContact O-N 3.43Å; E1376-S1378 PolarHBondContact O-N 3.1Å; S1378-K1382 VanDerWaalsContact O-CD 3.26Å; S1378-K1382 WeakPolarHBondContact O-CD 3.18Å; S1378-K1382 WeakPolarHBondContact O-CG 3.32Å; S1378-K1382 PolarHBondContact O-N 3.11Å; S1378-K1382 PolarHBondContact OG-NZ 2.92Å
1379H78.1Confident78.3Confident92 Ų9299.7 Ų99.743%0.42649%0.492SS..Hα-helixtrans-78.8-40174.2-69.5172.5000111.8M1375 E1376 Q1377 K1382 L1383M1375-H1379 WeakPolarHBondContact O-CB 3.48Å; M1375-H1379 VanDerWaalsContact O-CG 3.23Å; M1375-H1379 PolarHBondContact O-N 2.92Å; E1376-H1379 CarbonylContact O-C 3.56Å; E1376-H1379 WeakPolarHBondContact O-CA 3.49Å; E1376-H1379 PolarHBondContact O-N 3.36Å; Q1377-H1379 PolarHBondContact O-N 2.9Å; H1379-K1382 CarbonylContact O-C 3.58Å; H1379-K1382 PolarHBondContact O-N 2.92Å; H1379-L1383 WeakPolarHBondContact O-CB 3.18Å; H1379-L1383 VanDerWaalsContact O-CG 3.3Å; H1379-L1383 WeakPolarHBondContact O-CG 3.04Å; H1379-L1383 PolarHBondContact O-N 3.48Å
1380S79.2Confident78.2Confident73 Ų73100.3 Ų100.351%0.5150%0.495SS..Hα-helixtrans-62.9-39.5171.6-64.80000112.3E1376 Q1377 L1383 A1384E1376-S1380 PolarHBondContact O-N 3.31Å; E1376-S1380 PolarHBondContact O-OG 2.82Å; Q1377-S1380 PolarHBondContact O-N 2.86Å; S1380-L1383 PolarHBondContact O-N 2.97Å; S1380-A1384 WeakPolarHBondContact O-CB 3.42Å; S1380-A1384 PolarHBondContact O-N 2.8Å
1381E79.8Confident78.3Confident113 Ų113100 Ų10053%0.52850%0.496SS..Hα-helixtrans-63.8-39173.4-74169.1-169.400111.8Q1377 Y1385Q1377-E1381 WeakPolarHBondContact CG-OE1 3.26Å; Q1377-E1381 PolarHBondContact NE2-OE1 3.44Å; Q1377-E1381 WeakPolarHBondContact O-CB 3.36Å; Q1377-E1381 WeakPolarHBondContact O-CG 3.47Å; Q1377-E1381 PolarHBondContact O-N 3.32Å; E1381-Y1385 WeakPolarHBondContact O-CB 3.44Å; E1381-Y1385 PolarHBondContact O-N 2.9Å; E1381-Y1385 VanDerWaalsContact O-N 3.13Å
1382K78.7Confident78.3Confident101 Ų10197.7 Ų97.744%0.43949%0.489SS..Hα-helixtrans-70.1-39.5173.3-71.5162.6-168.9152.60112.5S1378 H1379 Y1385 F1386S1378-K1382 VanDerWaalsContact O-CD 3.26Å; S1378-K1382 WeakPolarHBondContact O-CD 3.18Å; S1378-K1382 WeakPolarHBondContact O-CG 3.32Å; S1378-K1382 PolarHBondContact O-N 3.11Å; S1378-K1382 PolarHBondContact OG-NZ 2.92Å; H1379-K1382 CarbonylContact O-C 3.58Å; H1379-K1382 PolarHBondContact O-N 2.92Å; K1382-Y1385 PolarHBondContact O-N 3.29Å; K1382-F1386 HydrophobicContact CB-CE2 4.34Å; K1382-F1386 WeakPolarHBondContact O-CD2 3.31Å; K1382-F1386 WeakPolarHBondContact O-CG 3.35Å; K1382-F1386 PolarHBondContact O-N 2.77Å
1383L75.5Confident78.7Confident102 Ų10298.8 Ų98.853%0.53449%0.488SS..Hα-helixtrans-66-46177.5-75.8169.2000110.7H1379 S1380 Y1385 F1386 E1387H1379-L1383 WeakPolarHBondContact O-CB 3.18Å; H1379-L1383 VanDerWaalsContact O-CG 3.3Å; H1379-L1383 WeakPolarHBondContact O-CG 3.04Å; H1379-L1383 PolarHBondContact O-N 3.48Å; S1380-L1383 PolarHBondContact O-N 2.97Å; L1383-Y1385 VanDerWaalsContact C-N 3.29Å; L1383-Y1385 PolarHBondContact O-N 3.28Å; L1383-F1386 CarbonylContact O-C 3.58Å; L1383-F1386 WeakPolarHBondContact O-CA 3.39Å; L1383-F1386 PolarHBondContact O-N 2.72Å; L1383-E1387 WeakPolarHBondContact O-CG 3.45Å; L1383-E1387 PolarHBondContact O-N 3.5Å
1384A79.3Confident78.7Confident53 Ų5397 Ų9744%0.43849%0.485SS..Hα-helixtrans-58.7-40.4173.600000112.1S1380 E1387 E1388S1380-A1384 WeakPolarHBondContact O-CB 3.42Å; S1380-A1384 PolarHBondContact O-N 2.8Å; A1384-E1387 PolarHBondContact O-N 2.79Å; A1384-E1388 WeakPolarHBondContact O-CB 3.31Å; A1384-E1388 PolarHBondContact O-N 3.25Å
1385Y81.5Confident79.1Confident145 Ų14598.7 Ų98.757%0.56949%0.486SS*.Hα-helixtrans-63.5-39.2172.5176.4-104000112.7E1381 K1382 L1383 T1389E1381-Y1385 WeakPolarHBondContact O-CB 3.44Å; E1381-Y1385 PolarHBondContact O-N 2.9Å; E1381-Y1385 VanDerWaalsContact O-N 3.13Å; K1382-Y1385 PolarHBondContact O-N 3.29Å; L1383-Y1385 VanDerWaalsContact C-N 3.29Å; L1383-Y1385 PolarHBondContact O-N 3.28Å; Y1385-T1389 VanDerWaalsContact O-CB 3.31Å; Y1385-T1389 WeakPolarHBondContact O-CB 3.41Å; Y1385-T1389 PolarHBondContact O-N 3.39Å; Y1385-T1389 PolarHBondContact O-OG1 2.82Å
1386F78.9Confident79.5Confident118 Ų11898.4 Ų98.452%0.51848%0.483SS..Hα-helixtrans-70.1-37.6174-67.9-46.9000112.6K1382 L1383 T1389 I1390K1382-F1386 HydrophobicContact CB-CE2 4.34Å; K1382-F1386 WeakPolarHBondContact O-CD2 3.31Å; K1382-F1386 WeakPolarHBondContact O-CG 3.35Å; K1382-F1386 PolarHBondContact O-N 2.77Å; L1383-F1386 CarbonylContact O-C 3.58Å; L1383-F1386 WeakPolarHBondContact O-CA 3.39Å; L1383-F1386 PolarHBondContact O-N 2.72Å; F1386-T1389 PolarHBondContact O-N 2.81Å; F1386-I1390 WeakPolarHBondContact O-CB 3.24Å; F1386-I1390 WeakPolarHBondContact O-CD1 3.33Å; F1386-I1390 WeakPolarHBondContact O-CG1 3.32Å; F1386-I1390 PolarHBondContact O-N 2.88Å
1387E79.7Confident79.6Confident127 Ų12797.8 Ų97.859%0.59348%0.483SS*.Hα-helixtrans-65.7-40.3174.8-73.7-179.2161.900112.3L1383 A1384 I1390 S1391L1383-E1387 WeakPolarHBondContact O-CG 3.45Å; L1383-E1387 PolarHBondContact O-N 3.5Å; A1384-E1387 PolarHBondContact O-N 2.79Å; E1387-I1390 PolarHBondContact O-N 3.47Å; E1387-S1391 VanDerWaalsContact O-CB 3.27Å; E1387-S1391 WeakPolarHBondContact O-CB 3.28Å; E1387-S1391 PolarHBondContact O-N 2.78Å; E1387-S1391 PolarHBondContact O-OG 2.9Å
1388E82.1Confident79.9Confident139 Ų13995.8 Ų95.865%0.6548%0.479SS*.Hα-helixtrans-64.1-44.3171.6-175.7170.6-146.500110.6A1384 I1390 S1391 D1392A1384-E1388 WeakPolarHBondContact O-CB 3.31Å; A1384-E1388 PolarHBondContact O-N 3.25Å; E1388-I1390 PolarHBondContact O-N 2.78Å; E1388-S1391 WeakPolarHBondContact O-CB 3.47Å; E1388-S1391 PolarHBondContact O-N 3.49Å; E1388-D1392 PolarHBondContact O-N 3.09Å
1389T81.8Confident79.9Confident46 Ų46101.9 Ų101.928%0.28250%0.496SS..Hα-helixtrans-62.8-42177-59.10000112.1Y1385 F1386 D1392 Y1393Y1385-T1389 VanDerWaalsContact O-CB 3.31Å; Y1385-T1389 WeakPolarHBondContact O-CB 3.41Å; Y1385-T1389 PolarHBondContact O-N 3.39Å; Y1385-T1389 PolarHBondContact O-OG1 2.82Å; F1386-T1389 PolarHBondContact O-N 2.81Å; T1389-D1392 PolarHBondContact O-N 2.83Å; T1389-Y1393 HydrophobicContact CG2-CD2 3.91Å; T1389-Y1393 HydrophobicContact CG2-CE2 3.69Å; T1389-Y1393 WeakPolarHBondContact O-CD2 3.49Å; T1389-Y1393 PolarHBondContact O-N 3.41Å
1390I76.8Confident80Confident99 Ų99102.4 Ų102.451%0.50850%0.502SS..Hα-helixtrans-66.4-43.3175.4-72164.3000110.2F1386 E1387 E1388 D1392 Y1393 D1394F1386-I1390 WeakPolarHBondContact O-CB 3.24Å; F1386-I1390 WeakPolarHBondContact O-CD1 3.33Å; F1386-I1390 WeakPolarHBondContact O-CG1 3.32Å; F1386-I1390 PolarHBondContact O-N 2.88Å; E1387-I1390 PolarHBondContact O-N 3.47Å; E1388-I1390 PolarHBondContact O-N 2.78Å; I1390-D1392 VanDerWaalsContact C-N 3.27Å; I1390-D1392 PolarHBondContact O-N 3.38Å; I1390-Y1393 CarbonylContact O-C 3.56Å; I1390-Y1393 WeakPolarHBondContact O-CA 3.35Å; I1390-Y1393 WeakPolarHBondContact O-CB 3.37Å; I1390-Y1393 PolarHBondContact O-N 2.76Å; I1390-Y1393 VanDerWaalsContact O-N 3.14Å; I1390-D1394 PolarHBondContact O-N 3.47Å
1391S81.1Confident80.1Confident70 Ų70106.4 Ų106.449%0.4951%0.51SS..Hα-helixtrans-59.7-36.6175.4-65.70000112.4E1387 E1388 D1394 R1395E1387-S1391 VanDerWaalsContact O-CB 3.27Å; E1387-S1391 WeakPolarHBondContact O-CB 3.28Å; E1387-S1391 PolarHBondContact O-N 2.78Å; E1387-S1391 PolarHBondContact O-OG 2.9Å; E1388-S1391 WeakPolarHBondContact O-CB 3.47Å; E1388-S1391 PolarHBondContact O-N 3.49Å; S1391-D1394 PolarHBondContact O-N 3.05Å; S1391-R1395 WeakPolarHBondContact O-CB 3.22Å; S1391-R1395 VanDerWaalsContact O-CG 3.31Å; S1391-R1395 WeakPolarHBondContact O-CG 3.1Å; S1391-R1395 PolarHBondContact O-N 3.1Å
1392D80Confident80.3Confident75 Ų75105.7 Ų105.740%0.40151%0.509SS..Hα-helixtrans-78.6-29.4176.8-131.638.9000112.5E1388 T1389 I1390 R1395 Q1396E1388-D1392 PolarHBondContact O-N 3.09Å; T1389-D1392 PolarHBondContact O-N 2.83Å; I1390-D1392 VanDerWaalsContact C-N 3.27Å; I1390-D1392 PolarHBondContact O-N 3.38Å; D1392-R1395 WeakPolarHBondContact OD1-CD 3.07Å; D1392-R1395 IonicContact OD1-NH1 3.05Å; D1392-Q1396 WeakPolarHBondContact O-CG 3.41Å; D1392-Q1396 PolarHBondContact O-N 2.95Å
1393Y80.4Confident80.5Confident109 Ų109106.9 Ų106.943%0.42751%0.511SS..Hα-helixtrans-65.2-40.2165-83.4-59.6000112.4T1389 I1390 Q1396 N1397T1389-Y1393 HydrophobicContact CG2-CD2 3.91Å; T1389-Y1393 HydrophobicContact CG2-CE2 3.69Å; T1389-Y1393 WeakPolarHBondContact O-CD2 3.49Å; T1389-Y1393 PolarHBondContact O-N 3.41Å; I1390-Y1393 CarbonylContact O-C 3.56Å; I1390-Y1393 WeakPolarHBondContact O-CA 3.35Å; I1390-Y1393 WeakPolarHBondContact O-CB 3.37Å; I1390-Y1393 PolarHBondContact O-N 2.76Å; I1390-Y1393 VanDerWaalsContact O-N 3.14Å; Y1393-Q1396 CarbonylContact O-C 3.58Å; Y1393-Q1396 WeakPolarHBondContact O-CA 3.21Å; Y1393-Q1396 WeakPolarHBondContact O-CB 3.45Å; Y1393-Q1396 PolarHBondContact O-N 3.22Å; Y1393-Q1396 VanDerWaalsContact O-N 3.1Å; Y1393-N1397 PolarHBondContact O-N 2.76Å; Y1393-N1397 PolarHBondContact O-ND2 3.04Å
1394D80Confident80.7Confident88 Ų88106.5 Ų106.547%0.47151%0.509SS..Hα-helixtrans-73.7-28.7176.6-87.1-20.2000113.1I1390 S1391 Q1396 N1397 T1398I1390-D1394 PolarHBondContact O-N 3.47Å; S1391-D1394 PolarHBondContact O-N 3.05Å; D1394-Q1396 VanDerWaalsContact C-N 3.34Å; D1394-N1397 PolarHBondContact O-N 2.71Å; D1394-N1397 PolarHBondContact OD1-ND2 3.45Å; D1394-T1398 VanDerWaalsContact O-CB 3.23Å; D1394-T1398 WeakPolarHBondContact O-CB 3.38Å; D1394-T1398 PolarHBondContact O-N 3.41Å; D1394-T1398 PolarHBondContact O-OG1 3.13Å
1395R82.7Confident80.9Confident158 Ų158106.7 Ų106.760%0.59651%0.507SS*.Hα-helixtrans-63.4-38.6163.6-77.7171.3164.7-169.80.1111.9S1391 D1392 R1399S1391-R1395 WeakPolarHBondContact O-CB 3.22Å; S1391-R1395 VanDerWaalsContact O-CG 3.31Å; S1391-R1395 WeakPolarHBondContact O-CG 3.1Å; S1391-R1395 PolarHBondContact O-N 3.1Å; D1392-R1395 WeakPolarHBondContact OD1-CD 3.07Å; D1392-R1395 IonicContact OD1-NH1 3.05Å; R1395-R1399 WeakPolarHBondContact O-CB 3.5Å; R1395-R1399 WeakPolarHBondContact O-CD 3.36Å; R1395-R1399 VanDerWaalsContact O-CG 3.22Å; R1395-R1399 WeakPolarHBondContact O-CG 3.42Å; R1395-R1399 PolarHBondContact O-N 2.95Å
1396Q82.8Confident80.7Confident98 Ų98104.7 Ų104.746%0.45850%0.503SS..Hα-helixtrans-68.5-45.1173-74.2-176.759.400112.1D1392 Y1393 D1394 T1398 R1399 L1400D1392-Q1396 WeakPolarHBondContact O-CG 3.41Å; D1392-Q1396 PolarHBondContact O-N 2.95Å; Y1393-Q1396 CarbonylContact O-C 3.58Å; Y1393-Q1396 WeakPolarHBondContact O-CA 3.21Å; Y1393-Q1396 WeakPolarHBondContact O-CB 3.45Å; Y1393-Q1396 PolarHBondContact O-N 3.22Å; Y1393-Q1396 VanDerWaalsContact O-N 3.1Å; D1394-Q1396 VanDerWaalsContact C-N 3.34Å; Q1396-T1398 VanDerWaalsContact C-N 3.33Å; Q1396-T1398 PolarHBondContact O-N 2.91Å; Q1396-R1399 WeakPolarHBondContact O-CB 3.3Å; Q1396-R1399 PolarHBondContact O-N 3.44Å; Q1396-L1400 WeakPolarHBondContact O-CB 3.42Å; Q1396-L1400 WeakPolarHBondContact O-CG 3.41Å; Q1396-L1400 PolarHBondContact O-N 2.74Å
1397N76.2Confident80.6Confident88 Ų88102.6 Ų102.647%0.47150%0.497SS..Hα-helixtrans-59.2-43.3174.9-73.3-32.1000111.2Y1393 D1394 L1400 K1401Y1393-N1397 PolarHBondContact O-N 2.76Å; Y1393-N1397 PolarHBondContact O-ND2 3.04Å; D1394-N1397 PolarHBondContact O-N 2.71Å; D1394-N1397 PolarHBondContact OD1-ND2 3.45Å; N1397-L1400 PolarHBondContact O-N 3.36Å; N1397-K1401 VanDerWaalsContact O-CB 3.24Å; N1397-K1401 WeakPolarHBondContact O-CB 3.34Å; N1397-K1401 PolarHBondContact O-N 3.29Å
1398T82.7Confident80.4Confident77 Ų77102.1 Ų102.147%0.47249%0.494SS..Hα-helixtrans-64.4-42.7176.6-58.40000111.4D1394 Q1396 K1401 N1402D1394-T1398 VanDerWaalsContact O-CB 3.23Å; D1394-T1398 WeakPolarHBondContact O-CB 3.38Å; D1394-T1398 PolarHBondContact O-N 3.41Å; D1394-T1398 PolarHBondContact O-OG1 3.13Å; Q1396-T1398 VanDerWaalsContact C-N 3.33Å; Q1396-T1398 PolarHBondContact O-N 2.91Å; T1398-K1401 PolarHBondContact O-N 2.87Å; T1398-N1402 WeakPolarHBondContact O-CB 3.27Å; T1398-N1402 PolarHBondContact O-N 2.98Å
1399R81.5Confident80.2Confident168 Ų168100.5 Ų100.563%0.63449%0.489SS*.Hα-helixtrans-60.8-43.5172.6-75.6168177.41641.5111.9R1395 Q1396 R1403R1395-R1399 WeakPolarHBondContact O-CB 3.5Å; R1395-R1399 WeakPolarHBondContact O-CD 3.36Å; R1395-R1399 VanDerWaalsContact O-CG 3.22Å; R1395-R1399 WeakPolarHBondContact O-CG 3.42Å; R1395-R1399 PolarHBondContact O-N 2.95Å; Q1396-R1399 WeakPolarHBondContact O-CB 3.3Å; Q1396-R1399 PolarHBondContact O-N 3.44Å; R1399-R1403 VanDerWaalsContact O-CB 3.32Å; R1399-R1403 WeakPolarHBondContact O-CB 3.48Å; R1399-R1403 PolarHBondContact O-N 3.21Å
1400L78.3Confident79.9Confident104 Ų104103.3 Ų103.355%0.54550%0.499SS..Hα-helixtrans-67-42.3177.6-72.5170.1000112.1Q1396 N1397 R1403 I1404Q1396-L1400 WeakPolarHBondContact O-CB 3.42Å; Q1396-L1400 WeakPolarHBondContact O-CG 3.41Å; Q1396-L1400 PolarHBondContact O-N 2.74Å; N1397-L1400 PolarHBondContact O-N 3.36Å; L1400-R1403 CarbonylContact O-C 3.58Å; L1400-R1403 PolarHBondContact O-N 3.02Å; L1400-I1404 VanDerWaalsContact O-CG1 3.31Å; L1400-I1404 WeakPolarHBondContact O-CG1 3.13Å; L1400-I1404 PolarHBondContact O-N 3.47Å
1401K82.8Confident79.6Confident156 Ų156103.8 Ų103.868%0.67850%0.503SS*.Hα-helixtrans-63.3-45.8177.7-161.3172.7-171.6176.90110.9N1397 T1398 R1403 I1404 S1405N1397-K1401 VanDerWaalsContact O-CB 3.24Å; N1397-K1401 WeakPolarHBondContact O-CB 3.34Å; N1397-K1401 PolarHBondContact O-N 3.29Å; T1398-K1401 PolarHBondContact O-N 2.87Å; K1401-R1403 VanDerWaalsContact C-N 3.34Å; K1401-R1403 PolarHBondContact O-N 3.32Å; K1401-I1404 PolarHBondContact O-N 3.3Å; K1401-S1405 PolarHBondContact O-N 2.87Å; K1401-S1405 PolarHBondContact O-OG 2.83Å
1402N83.3Confident79.4Confident98 Ų98106.8 Ų106.852%0.52451%0.507SS..Hα-helixtrans-59.9-43.3171.7-70.1-8.3000111.5T1398 I1404 S1405 E1406T1398-N1402 WeakPolarHBondContact O-CB 3.27Å; T1398-N1402 PolarHBondContact O-N 2.98Å; N1402-I1404 VanDerWaalsContact C-N 3.33Å; N1402-I1404 PolarHBondContact O-N 2.92Å; N1402-S1405 PolarHBondContact O-N 3.38Å; N1402-E1406 PolarHBondContact O-N 3.28Å
1403R84.1Confident79Confident127 Ų127111.4 Ų111.448%0.47952%0.519SS..Hα-helixtrans-66.1-32.9177.8-171.457175.6169.37.9113R1399 L1400 K1401 E1406 L1407R1399-R1403 VanDerWaalsContact O-CB 3.32Å; R1399-R1403 WeakPolarHBondContact O-CB 3.48Å; R1399-R1403 PolarHBondContact O-N 3.21Å; L1400-R1403 CarbonylContact O-C 3.58Å; L1400-R1403 PolarHBondContact O-N 3.02Å; K1401-R1403 VanDerWaalsContact C-N 3.34Å; K1401-R1403 PolarHBondContact O-N 3.32Å; R1403-E1406 WeakPolarHBondContact CD-OE2 3.38Å; R1403-E1406 IonicContact CZ-OE2 3.42Å; R1403-E1406 IonicContact NE-OE2 3.33Å; R1403-E1406 IonicContact NH1-OE2 2.67Å; R1403-E1406 PolarHBondContact NH1-OE2 3.04Å; R1403-L1407 HydrophobicContact CG-CD1 4.31Å; R1403-L1407 WeakPolarHBondContact O-CB 3.27Å; R1403-L1407 VanDerWaalsContact O-CG 3.25Å; R1403-L1407 WeakPolarHBondContact O-CG 2.92Å; R1403-L1407 PolarHBondContact O-N 3.43Å
1404I79.3Confident78.2Confident94 Ų94111.2 Ų111.248%0.48252%0.524SS..Hα-helixtrans-66.1-43.7171.6-71.6163.1000110.1L1400 K1401 N1402 L1407 Q1408L1400-I1404 VanDerWaalsContact O-CG1 3.31Å; L1400-I1404 WeakPolarHBondContact O-CG1 3.13Å; L1400-I1404 PolarHBondContact O-N 3.47Å; K1401-I1404 PolarHBondContact O-N 3.3Å; N1402-I1404 VanDerWaalsContact C-N 3.33Å; N1402-I1404 PolarHBondContact O-N 2.92Å; I1404-L1407 PolarHBondContact O-N 2.65Å; I1404-Q1408 HydrophobicContact CG2-CG 4.39Å; I1404-Q1408 WeakPolarHBondContact O-CB 3.4Å; I1404-Q1408 VanDerWaalsContact O-CG 3.28Å; I1404-Q1408 WeakPolarHBondContact O-CG 3.32Å; I1404-Q1408 PolarHBondContact O-N 3.38Å
1405S82.1Confident77.3Confident57 Ų57111.2 Ų111.240%0.39953%0.528SS..Hα-helixtrans-65.2-36.8175.2-610000113.2K1401 N1402 Q1408 L1409K1401-S1405 PolarHBondContact O-N 2.87Å; K1401-S1405 PolarHBondContact O-OG 2.83Å; N1402-S1405 PolarHBondContact O-N 3.38Å; S1405-Q1408 PolarHBondContact O-N 2.99Å; S1405-L1409 PolarHBondContact O-N 3.46Å
1406E79.1Confident75.9Confident103 Ų103108.1 Ų108.148%0.48152%0.523SS..Hα-helixtrans-59.5-50.2169.6-73.5-178.6157.600111.3N1402 R1403 Q1408 L1409 E1410N1402-E1406 PolarHBondContact O-N 3.28Å; R1403-E1406 WeakPolarHBondContact CD-OE2 3.38Å; R1403-E1406 IonicContact CZ-OE2 3.42Å; R1403-E1406 IonicContact NE-OE2 3.33Å; R1403-E1406 IonicContact NH1-OE2 2.67Å; R1403-E1406 PolarHBondContact NH1-OE2 3.04Å; E1406-Q1408 VanDerWaalsContact C-N 3.32Å; E1406-Q1408 PolarHBondContact O-N 3.47Å; E1406-L1409 PolarHBondContact O-N 2.87Å; E1406-E1410 WeakPolarHBondContact O-CB 3.07Å; E1406-E1410 PolarHBondContact O-N 2.99Å
1407L76.1Confident74.4Confident74 Ų74109.3 Ų109.339%0.38753%0.532SS..Hα-helixtrans-65.7-32.3179.7-71.6168.4000112.6R1403 I1404 E1410 L1411R1403-L1407 HydrophobicContact CG-CD1 4.31Å; R1403-L1407 WeakPolarHBondContact O-CB 3.27Å; R1403-L1407 VanDerWaalsContact O-CG 3.25Å; R1403-L1407 WeakPolarHBondContact O-CG 2.92Å; R1403-L1407 PolarHBondContact O-N 3.43Å; I1404-L1407 PolarHBondContact O-N 2.65Å; L1407-E1410 PolarHBondContact O-N 3.5Å; L1407-L1411 VanDerWaalsContact O-CB 3.31Å; L1407-L1411 WeakPolarHBondContact O-CB 3.37Å; L1407-L1411 WeakPolarHBondContact O-CG 3.42Å; L1407-L1411 PolarHBondContact O-N 3.11Å
1408Q74.6Confident72.8Confident117 Ų117111.6 Ų111.655%0.54754%0.544SS..Hα-helixtrans-67.4-41.1172-76.1171.1-23.700111.9I1404 S1405 E1406 K1412I1404-Q1408 HydrophobicContact CG2-CG 4.39Å; I1404-Q1408 WeakPolarHBondContact O-CB 3.4Å; I1404-Q1408 VanDerWaalsContact O-CG 3.28Å; I1404-Q1408 WeakPolarHBondContact O-CG 3.32Å; I1404-Q1408 PolarHBondContact O-N 3.38Å; S1405-Q1408 PolarHBondContact O-N 2.99Å; E1406-Q1408 VanDerWaalsContact C-N 3.32Å; E1406-Q1408 PolarHBondContact O-N 3.47Å; Q1408-K1412 WeakPolarHBondContact O-CB 3.36Å; Q1408-K1412 PolarHBondContact O-N 3.34Å
1409L78.9Confident70.6Confident104 Ų104114.2 Ų114.255%0.54556%0.556SS.*Hα-helixtrans-66.8-36.3172.8-81.1166.2000112.3S1405 E1406 K1412 R1413S1405-L1409 PolarHBondContact O-N 3.46Å; E1406-L1409 PolarHBondContact O-N 2.87Å; L1409-K1412 PolarHBondContact O-N 3.3Å; L1409-R1413 WeakPolarHBondContact O-CB 3.27Å; L1409-R1413 VanDerWaalsContact O-CG 3.31Å; L1409-R1413 WeakPolarHBondContact O-CG 3.23Å; L1409-R1413 PolarHBondContact O-N 2.7Å
1410E75.7Confident68.4Low105 Ų105112.5 Ų112.549%0.49156%0.559SS.*Hα-helixtrans-70.1-42.3177.1-164.3157.4-12400111.4E1406 L1407 R1413 L1414E1406-E1410 WeakPolarHBondContact O-CB 3.07Å; E1406-E1410 PolarHBondContact O-N 2.99Å; L1407-E1410 PolarHBondContact O-N 3.5Å; E1410-R1413 PolarHBondContact O-N 2.72Å; E1410-L1414 WeakPolarHBondContact O-CG 3.35Å; E1410-L1414 PolarHBondContact O-N 2.62Å
1411L69.6Low66.1Low110 Ų110113.3 Ų113.358%0.57657%0.569SS**Hα-helixtrans-61.3-43169.4-81.1167.8000112.5L1407 L1414 T1415L1407-L1411 VanDerWaalsContact O-CB 3.31Å; L1407-L1411 WeakPolarHBondContact O-CB 3.37Å; L1407-L1411 WeakPolarHBondContact O-CG 3.42Å; L1407-L1411 PolarHBondContact O-N 3.11Å; L1411-L1414 PolarHBondContact O-N 3.35Å; L1411-T1415 WeakPolarHBondContact O-CB 3.16Å; L1411-T1415 PolarHBondContact O-N 2.64Å; L1411-T1415 PolarHBondContact O-OG1 3.28Å
1412K77.1Confident63.5Low132 Ų132111.7 Ų111.757%0.57457%0.571SS**Hα-helixtrans-61.7-46.2176.4-172.2165.6-176.4170.90110.9Q1408 L1409 L1414 T1415 D1416Q1408-K1412 WeakPolarHBondContact O-CB 3.36Å; Q1408-K1412 PolarHBondContact O-N 3.34Å; L1409-K1412 PolarHBondContact O-N 3.3Å; K1412-L1414 VanDerWaalsContact C-N 3.33Å; K1412-L1414 PolarHBondContact O-N 2.94Å; K1412-T1415 WeakPolarHBondContact O-CB 3.17Å; K1412-T1415 PolarHBondContact O-N 3.25Å; K1412-T1415 VanDerWaalsContact O-N 3.1Å; K1412-D1416 VanDerWaalsContact O-CG 3.27Å; K1412-D1416 PolarHBondContact O-N 3.3Å
1413R72.1Confident60.9Low173 Ų173115.6 Ų115.665%0.65359%0.586SS**Hα-helixtrans-59.8-37.8173-74.9171.9175.1174.40.5113.2L1409 E1410 N1417L1409-R1413 WeakPolarHBondContact O-CB 3.27Å; L1409-R1413 VanDerWaalsContact O-CG 3.31Å; L1409-R1413 WeakPolarHBondContact O-CG 3.23Å; L1409-R1413 PolarHBondContact O-N 2.7Å; E1410-R1413 PolarHBondContact O-N 2.72Å; R1413-N1417 WeakPolarHBondContact O-CB 3.43Å; R1413-N1417 PolarHBondContact O-N 2.93Å; R1413-N1417 PolarHBondContact O-ND2 2.79Å
1414L63.8Low58.3Low105 Ų105113.5 Ų113.555%0.5560%0.596SS.*Hα-helixtrans-70.3-32.1175.1-75.1165.2000112.4E1410 L1411 K1412 N1418E1410-L1414 WeakPolarHBondContact O-CG 3.35Å; E1410-L1414 PolarHBondContact O-N 2.62Å; L1411-L1414 PolarHBondContact O-N 3.35Å; K1412-L1414 VanDerWaalsContact C-N 3.33Å; K1412-L1414 PolarHBondContact O-N 2.94Å; L1414-N1418 PolarHBondContact O-N 3.03Å; L1414-N1418 PolarHBondContact O-ND2 3.24Å
1415T60.5Low55.9Low88 Ų88120.1 Ų120.154%0.5462%0.615SS.*Hα-helixtrans-72.4-49176.1-54.10000111L1411 K1412 N1417 N1418L1411-T1415 WeakPolarHBondContact O-CB 3.16Å; L1411-T1415 PolarHBondContact O-N 2.64Å; L1411-T1415 PolarHBondContact O-OG1 3.28Å; K1412-T1415 WeakPolarHBondContact O-CB 3.17Å; K1412-T1415 PolarHBondContact O-N 3.25Å; K1412-T1415 VanDerWaalsContact O-N 3.1Å; T1415-N1417 VanDerWaalsContact C-N 3.31Å; T1415-N1417 PolarHBondContact O-N 3.45Å; T1415-N1418 PolarHBondContact O-N 2.75Å; T1415-N1418 VanDerWaalsContact O-N 3.15Å
1416D53.7Low53.3Low92 Ų92126.1 Ų126.149%0.49264%0.637SS.*Hα-helixtrans-61.7-37.7-179.6-66.7-26.3000112K1412K1412-D1416 VanDerWaalsContact O-CG 3.27Å; K1412-D1416 PolarHBondContact O-N 3.3Å
1417N51.3Low50.8Low124 Ų124130.1 Ų130.166%0.66366%0.655SS**Hα-helixtrans-74.3-20.2177.6-77.7-56.4000114.3R1413 T1415 N1419R1413-N1417 WeakPolarHBondContact O-CB 3.43Å; R1413-N1417 PolarHBondContact O-N 2.93Å; R1413-N1417 PolarHBondContact O-ND2 2.79Å; T1415-N1417 VanDerWaalsContact C-N 3.31Å; T1415-N1417 PolarHBondContact O-N 3.45Å; N1417-N1419 VanDerWaalsContact C-N 3.27Å; N1417-N1419 PolarHBondContact O-N 3.23Å
1418N41.3Very low49.1Very low135 Ų135131.4 Ų131.472%0.72267%0.668SS**THydrogen-bonded Turntrans-77.3-6-175.6-102.4-28000114.5L1414 T1415 N1420L1414-N1418 PolarHBondContact O-N 3.03Å; L1414-N1418 PolarHBondContact O-ND2 3.24Å; T1415-N1418 PolarHBondContact O-N 2.75Å; T1415-N1418 VanDerWaalsContact O-N 3.15Å; N1418-N1420 VanDerWaalsContact C-N 3.29Å; N1418-N1420 PolarHBondContact O-N 3.3Å
1419N37.7Very low47.1Very low133 Ų133132.8 Ų132.871%0.71168%0.678SS**THydrogen-bonded Turntrans-80.41.3-179.4-77.9-47.6000114.9N1417N1417-N1419 VanDerWaalsContact C-N 3.27Å; N1417-N1419 PolarHBondContact O-N 3.23Å
1420N34.6Very low44.7Very low131 Ų131137.4 Ų137.470%0.70169%0.693SS**SBendtrans-11790.1-179.4-73.3-60.4000113.4N1418N1418-N1420 VanDerWaalsContact C-N 3.29Å; N1418-N1420 PolarHBondContact O-N 3.3Å
1421T30.8Very low42.8Very low122 Ų122138 Ų13875%0.74870%0.704SS**  trans42.1116.7147.2550000121
1422V28.8Very low40.9Very low121 Ų121139 Ų13973%0.73372%0.715SS**  trans77.8108.5130.2178.20000118.8
1423E26.8Very low38.7Very low180 Ų180139.2 Ų139.284%0.84172%0.722SS**  trans62.7124142.9-65.5-176.9154.800122.9
1424A29.7Very low36.6Very low83 Ų83137.2 Ų137.269%0.68673%0.729SS**  trans86.4117.3131.700000122.3
1425R28.6Very low35.4Very low233 Ų233137.6 Ų137.688%0.87974%0.738SS**  trans85.2104.1143.2-63.5165.3-171.9-129.51.4120.2
1426H27.8Very low33.8Very low184 Ų184142 Ų14285%0.85276%0.757SS**  trans-10127.8136.6-51.879.3000117.3
1427E28.2Very low32.7Very low187 Ų187143.5 Ų143.587%0.87477%0.77SS**  178.8165.7105.2-93.8-149.113100111.5
1428P38.9Very low31.5Very low100 Ų100144 Ų14465%0.64978%0.777SS**  trans-127.3-173.5-140.534.8-15.8000118.2
1429I34.1Very low30.9Very low147 Ų147142.4 Ų142.475%0.75478%0.777SS**  trans77.2115.4162.5-34.4176.5000117.3
1430K27.6Very low30.5Very low201 Ų201141.6 Ų141.687%0.87478%0.777SS**  -176147.3115.6-99.7166.8-171.3175.40116.9
1431V35.2Very low30.2Very low116 Ų116143.7 Ų143.770%0.70378%0.782SS**  trans-71.5145.8173.9177.50000111.3
1432V29.3Very low30.2Very low133 Ų133142.5 Ų142.581%0.80678%0.779SS**  trans-141.2114.5155.5-179.30000109.5
1433D31.4Very low30.2Very low135 Ų135144.8 Ų144.872%0.72278%0.784SS**  trans-82.8135.7164.9-55.4-81.6000110.6
1434T29.1Very low30.5Very low132 Ų132141.2 Ų141.281%0.8177%0.774SS**  trans-169.8126.6138.21.20000112.6
1435P38.1Very low30.7Very low113 Ų113141.5 Ų141.573%0.73477%0.771SS**  trans-91160.2164.836.4-33.1000111.4
1436L26.9Very low31Very low179 Ų179140.9 Ų140.994%0.93777%0.769SS**  trans-148.3148.2160.2-146.474.1000111.9
1437T29.6Very low31.1Very low125 Ų125139.7 Ų139.777%0.76776%0.763SS**  trans-112.9155.2-17049.50000113.1
1438T27.6Very low31.3Very low134 Ų134136.9 Ų136.982%0.82275%0.754SS**  trans-171.2122.8141.211.70000107.4
1439S28Very low31.4Very low102 Ų102138 Ų13871%0.71376%0.759SS**  62.2142.374.5-103.90000113.4
1440T29.4Very low31Very low115 Ų115138 Ų13871%0.70676%0.76SS**  cis-162.2159.420.9-0.70000107.9
1441Q29.1Very low30.9Very low175 Ų175133.8 Ų133.882%0.81875%0.751SS**  cis-167.9178.9-2.7-151.6171.22.100109.4
1442S29.2Very low30.8Very low98 Ų98136.4 Ų136.469%0.68576%0.756SS**  trans83.6126.1150.1-137.40000117.6
1443M30.5Very low30.6Very low169 Ų169135.3 Ų135.383%0.83375%0.753SS**  cis-167.3165.6-1.2-123.2-170.8-174.100108.5
1444V31.7Very low30.6Very low105 Ų105135.4 Ų135.464%0.63675%0.753SS**  cis-155.3154-0.174.80000110.8
1445S34Very low30.5Very low88 Ų88135.8 Ų135.862%0.61575%0.749SS**  trans29.8143.2149.8-680000124.1
1446R34.4Very low30Very low221 Ų221137.9 Ų137.983%0.83475%0.747SS**  cis-145.4142.5-4.7-90.8139.5-175.8-178.50.1107
1447H31.3Very low30.1Very low158 Ų158137.7 Ų137.773%0.73175%0.745SS**  cis94.2154.927.6-146.569.4000114.7
1448D32.4Very low30Very low129 Ų129137.5 Ų137.569%0.6974%0.74SS**  trans70.1117.2-170.8-44.3-33.1000112.7
1449V40.1Very low30.1Very low123 Ų123138.6 Ų138.675%0.74574%0.736SS**  cis66.596.819.3-1680000114.4
1450D26.4Very low30.1Very low147 Ų147139.5 Ų139.579%0.78673%0.733SS**  trans-166.2163.6132.6-126.2-15.8000115.8
1451V25.7Very low30.1Very low112 Ų112141.5 Ų141.568%0.67974%0.739SS**  trans42.7107.9147.8175.50000121
1452Q31.8Very low30.1Very low171 Ų171136.6 Ų136.680%0.79973%0.728SS**  10.8112.1127.5-178.7-173-13.600119.1
1453C25.6Very low30.1Very low110 Ų110139.3 Ų139.374%0.74373%0.734SS**  trans-156.5130.8147.5-101.10000106.6
1454D31.5Very low30Very low138 Ų138138 Ų13874%0.73873%0.729SS**  43.7108.270.5-83.9-33.4000112.8
1455I27.3Very low30Very low139 Ų139139.2 Ų139.271%0.71373%0.732SS**  trans174.5109.1133.3-90.5152.7000110.3
1456K27.9Very low29.7Very low158 Ų158140.2 Ų140.269%0.68773%0.734SS**  trans47.9111.7143-50.8171.4-161.6165.10118.3N1458K1456-N1458 PolarHBondContact O-N 2.97Å
1457L28.8Very low29.4Very low174 Ų174134.9 Ų134.991%0.91173%0.727SS**  -47.7106.5127.9-69.6164.7000107.9E1459L1457-E1459 PolarHBondContact O-N 2.8Å
1458N26.4Very low29.4Very low122 Ų122132.8 Ų132.865%0.65273%0.725SS**  trans-88.391.7-179.1-169.181.4000110.1K1456 N1460K1456-N1458 PolarHBondContact O-N 2.97Å; N1458-N1460 PolarHBondContact ND2-O 3.23Å
1459E31.6Very low29.5Very low157 Ų157133.1 Ų133.173%0.73473%0.727SS**  trans-54.3156162-58.4173.7132.400110.6L1457L1457-E1459 PolarHBondContact O-N 2.8Å
1460N27.2Very low29.1Very low121 Ų121132.3 Ų132.365%0.64772%0.723SS**  trans72.6125.7-175.9-37.7-82.1000113N1458N1458-N1460 PolarHBondContact ND2-O 3.23Å
1461N29.4Very low29.5Very low157 Ų157132.2 Ų132.284%0.8472%0.722SS**  cis-113.2138.820.5-61.8-36.5000112.2
1462A28.1Very low29.7Very low72 Ų72134.1 Ų134.160%0.59573%0.727SS**  cis71.9138.936.300000112.8
1463L30.7Very low29.7Very low155 Ų155130.9 Ų130.981%0.81272%0.722SS**  cis-170.8-163.1-17.6-158.476.7000105.8
1464I28.3Very low30Very low141 Ų141132.6 Ų132.672%0.72372%0.724SS**  trans74.1121.4164.3-61.2158.3000112.9
1465N30.1Very low30.2Very low130 Ų130133.3 Ų133.370%0.69572%0.722SS**  cis-165.8170.25.9-107.88.2000106.5
1466T28.9Very low30.2Very low109 Ų109135.7 Ų135.767%0.66973%0.73SS**  cis178.9163.1-7.832.50000105.5
1467T28.1Very low30.3Very low110 Ų110134.9 Ų134.968%0.67573%0.733SS**  cis-169.6173.7-1.1-1050000108
1468T31.7Very low30.2Very low114 Ų114130 Ų13070%0.69973%0.725SS**  trans66.1135.4173.146.10000116.5
1469N33.2Very low30.3Very low135 Ų135131.4 Ų131.472%0.72274%0.738SS**  cis-139.1130.3-0.5-75-49.1000107.2
1470T33Very low30.2Very low107 Ų107128.1 Ų128.166%0.65674%0.738SS**  70.3127.26362.90000117.4
1471N33.4Very low30.2Very low144 Ų144128 Ų12877%0.7775%0.747SS**  trans82.3139.6159.4-58.6-18.6000117.9
1472I31.7Very low30.1Very low152 Ų152125.4 Ų125.478%0.77974%0.741SS**  cis-1531551-115.8159.6000110.7
1473C31.5Very low30Very low104 Ų104127.3 Ų127.370%0.70375%0.745SS**  trans-107.3159.7172.1-55.30000111.9
1474N32.2Very low29.8Very low145 Ų145128.9 Ų128.978%0.77575%0.746SS**  165.5138.2116.2-82-30.6000116.6
1475H33.9Very low29.6Very low154 Ų154129.2 Ų129.271%0.71375%0.748SS**  trans26.5133.6143.8-69.3-79.6000123.9
1476E28.7Very low29.5Very low188 Ų188128.3 Ų128.388%0.87975%0.751SS**  179.2163.8105.9-94.2177.1-17000109.1
1477N30.4Very low29.4Very low141 Ų141128.5 Ų128.575%0.75476%0.757SS**  cis178.4136.8-47.6-114.5-17.6000106.8
1478G26.6Very low29.4Very low71 Ų71131.4 Ų131.473%0.73276%0.763SS**  trans88.8159.2171.500000116.5
1479T27.9Very low29.1Very low152 Ų152132 Ų13293%0.93377%0.765SS**  cis-147.3157.2-0.4-50.30000110.7
1480A28.4Very low29.1Very low89 Ų89132.1 Ų132.174%0.73677%0.766SS**  trans-88.2160-165.600000116.7
1481S28.4Very low28.8Very low117 Ų117133.4 Ų133.482%0.81877%0.769SS**  trans-167118.5134.2-83.70000113.9
1482S26Very low28.8Very low103 Ų103133.7 Ų133.772%0.7277%0.771SS**  30.4141.1113.9-63.40000119.7
1483T26.3Very low28.8Very low112 Ų112133.1 Ų133.169%0.68777%0.774SS**  cis-172.3156.417.43.20000112.2
1484K26.3Very low28.8Very low188 Ų188136.4 Ų136.482%0.81778%0.779SS**  trans63.4158147.9-75.3-177.4177.8179.10118.6
1485L25Very low28.7Very low148 Ų148135.9 Ų135.978%0.77578%0.776SS**  cis-161.7170.4-30.1-161.4121.8000107.8
1486C28.6Very low28.4Very low111 Ų111136.3 Ų136.375%0.7578%0.778SS**  trans-62.6148.4-176.2-42.30000115.6
1487S26.1Very low28.5Very low114 Ų114132.1 Ų132.180%0.79777%0.769SS**  trans-172.1157.9130.815.40000110.7
1488E28.7Very low28.4Very low171 Ų171132.7 Ų132.780%0.79977%0.772SS**  trans-74.8170.7176.3-47.997.4123.600112.8
1489V25.2Very low28.5Very low125 Ų125137 Ų13776%0.75878%0.779SS**  -168.5126.2112.5143.40000110.8
1490N32.1Very low28.8Very low139 Ų139139 Ų13974%0.74378%0.778SS**  trans-74.7138.7172179.85.3000110.6
1491N27.5Very low28.9Very low133 Ų133142.6 Ų142.671%0.71178%0.779SS**  trans-160.299166.4-99.7-58000112.8
1492N33.7Very low29.3Very low151 Ų151144 Ų14481%0.80778%0.777SS**  trans-75.4137157.6-80.9-24.3000109.9
1493T30.6Very low30.4Very low139 Ų139143.3 Ų143.385%0.85377%0.765SS**  trans-137.5138.3154.7230000110.4
1494H32.6Very low31.5Very low174 Ų174147 Ų14781%0.80677%0.766SS**  trans-87.9-175.2-172.4-163-83.1000111
1495L29.2Very low32.5Very low134 Ų134142.4 Ų142.470%0.70275%0.75SS**  trans90.9138.5171.7-49.9165000113.4
1496Q28Very low34.1Very low163 Ų163139.5 Ų139.576%0.76273%0.733SS**  cis-150.8162.50.3-138.7155.7-24.500111.7
1497S31.2Very low35.4Very low99 Ų99140.1 Ų140.169%0.69272%0.723SS**  trans-60.1138.1168.252.50000111.9
1498N27.5Very low36.7Very low154 Ų154138 Ų13882%0.82471%0.705SS**  trans-168146.4138.9-97.7-2.6000109.3E1500N1498-E1500 PolarHBondContact O-N 3.4Å
1499D29.9Very low38.2Very low162 Ų162137.1 Ų137.187%0.86669%0.694SS**  trans-75.9113.4174.7-46.3-91.4000110.2
1500E33.1Very low40Very low194 Ų194135.2 Ų135.291%0.90768%0.677SS**  trans-148.576.1166.3-130166.3-13500110.2N1498N1498-E1500 PolarHBondContact O-N 3.4Å
1501H31.3Very low41.3Very low164 Ų164134.7 Ų134.776%0.75967%0.67SS**  trans-65.8158.6169.4-105.9-99000111.5
1502D36.1Very low42.7Very low145 Ų145133.5 Ų133.578%0.77566%0.663SS**SBendtrans83.115.6153.5-49.1-20.8000122.7
1503D50.1Low44Very low90 Ų90132.9 Ų132.948%0.48166%0.659SS.*  trans-121.83.5174-168.754.9000116.6K1507D1503-K1507 IonicContact OD2-NZ 2.78Å; D1503-K1507 PolarHBondContact OD2-NZ 2.74Å
1504W48.2Very low45.5Very low188 Ų188133.1 Ų133.171%0.71265%0.65SS**Hα-helixtrans-77.7-33.6-177.774.7-91000113.8E1506 K1507 V1508W1504-E1506 VanDerWaalsContact C-N 3.35Å; W1504-E1506 PolarHBondContact O-N 3.46Å; W1504-K1507 PolarHBondContact O-N 3.39Å; W1504-V1508 HydrophobicContact CE3-CG2 4.39Å; W1504-V1508 PolarHBondContact O-N 2.95Å
1505I48.5Very low46.3Very low92 Ų92126.9 Ų126.947%0.47263%0.626SS.*Hα-helixtrans-66.2-37.8-178.7-62.9177.2000111.1V1508 R1509I1505-V1508 PolarHBondContact O-N 3.41Å; I1505-R1509 WeakPolarHBondContact O-CG 3.29Å; I1505-R1509 PolarHBondContact O-N 3.08Å
1506E57.1Low47.1Very low87 Ų87128.9 Ų128.941%0.40764%0.637SS.*Hα-helixtrans-71.5-36.9-179.2-172.955.1-155.300111.6W1504 V1508 R1509 Q1510W1504-E1506 VanDerWaalsContact C-N 3.35Å; W1504-E1506 PolarHBondContact O-N 3.46Å; E1506-V1508 PolarHBondContact O-N 2.84Å; E1506-R1509 WeakPolarHBondContact O-CB 3.16Å; E1506-R1509 PolarHBondContact O-N 3.3Å; E1506-Q1510 HydrophobicContact CG-CG 4.47Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.29Å; E1506-Q1510 PolarHBondContact O-N 3.33Å; E1506-Q1510 PolarHBondContact OE1-NE2 3.1Å
1507K57.3Low48.2Very low125 Ų125123.4 Ų123.454%0.54362%0.617SS.*Hα-helixtrans-59.6-44.8172.5-73.5-171.9178.580.30112.7D1503 W1504 R1509 Q1510 E1511D1503-K1507 IonicContact OD2-NZ 2.78Å; D1503-K1507 PolarHBondContact OD2-NZ 2.74Å; W1504-K1507 PolarHBondContact O-N 3.39Å; K1507-R1509 VanDerWaalsContact C-N 3.32Å; K1507-R1509 PolarHBondContact O-N 3.1Å; K1507-Q1510 PolarHBondContact O-N 2.98Å; K1507-E1511 PolarHBondContact O-N 2.82Å; K1507-E1511 VanDerWaalsContact O-N 3.08Å
1508V52.7Low48.8Very low70 Ų70125.7 Ų125.742%0.42462%0.62SS.*Hα-helixtrans-64-38.8177176.40000111W1504 I1505 E1506 E1511 I1512W1504-V1508 HydrophobicContact CE3-CG2 4.39Å; W1504-V1508 PolarHBondContact O-N 2.95Å; I1505-V1508 PolarHBondContact O-N 3.41Å; E1506-V1508 PolarHBondContact O-N 2.84Å; V1508-E1511 PolarHBondContact O-N 2.93Å; V1508-I1512 HydrophobicContact CG1-CD1 3.85Å; V1508-I1512 VanDerWaalsContact O-CG1 3.29Å; V1508-I1512 WeakPolarHBondContact O-CG1 3.31Å; V1508-I1512 PolarHBondContact O-N 3.45Å; V1508-I1512 VanDerWaalsContact O-N 3.11Å
1509R59.4Low49.8Very low151 Ų151125 Ų12557%0.5762%0.616SS**Hα-helixtrans-61-43.4172.2-73.3171.4177.8-117-3.8112.2I1505 E1506 K1507 I1512 L1513I1505-R1509 WeakPolarHBondContact O-CG 3.29Å; I1505-R1509 PolarHBondContact O-N 3.08Å; E1506-R1509 WeakPolarHBondContact O-CB 3.16Å; E1506-R1509 PolarHBondContact O-N 3.3Å; K1507-R1509 VanDerWaalsContact C-N 3.32Å; K1507-R1509 PolarHBondContact O-N 3.1Å; R1509-I1512 PolarHBondContact O-N 3.06Å; R1509-L1513 VanDerWaalsContact O-CB 3.31Å; R1509-L1513 WeakPolarHBondContact O-CB 3.3Å; R1509-L1513 WeakPolarHBondContact O-CG 3.49Å; R1509-L1513 PolarHBondContact O-N 3.43Å
1510Q64.9Low51Low86 Ų86120.9 Ų120.940%0.40260%0.6SS.*Hα-helixtrans-64.6-37.8179.8-67.9-74.4-31.800112.8E1506 K1507 Q1514E1506-Q1510 HydrophobicContact CG-CG 4.47Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.29Å; E1506-Q1510 PolarHBondContact O-N 3.33Å; E1506-Q1510 PolarHBondContact OE1-NE2 3.1Å; K1507-Q1510 PolarHBondContact O-N 2.98Å; Q1510-Q1514 VanDerWaalsContact O-CG 3.31Å; Q1510-Q1514 WeakPolarHBondContact O-CG 3.07Å; Q1510-Q1514 PolarHBondContact O-N 2.94Å; Q1510-Q1514 PolarHBondContact O-NE2 2.95Å
1511E58.3Low51.6Low127 Ų127114 Ų11459%0.59357%0.569SS**Hα-helixtrans-74.4-35.9177.7-68.8-175.515800112.5K1507 V1508 Q1514 S1515K1507-E1511 PolarHBondContact O-N 2.82Å; K1507-E1511 VanDerWaalsContact O-N 3.08Å; V1508-E1511 PolarHBondContact O-N 2.93Å; E1511-Q1514 PolarHBondContact O-N 2.99Å; E1511-S1515 PolarHBondContact O-OG 3.47Å
1512I56.3Low52.1Low109 Ų109111 Ų11156%0.55956%0.555SS**Hα-helixtrans-64.8-40.4171.1-68168.5000110.8V1508 R1509 Q1514V1508-I1512 HydrophobicContact CG1-CD1 3.85Å; V1508-I1512 VanDerWaalsContact O-CG1 3.29Å; V1508-I1512 WeakPolarHBondContact O-CG1 3.31Å; V1508-I1512 PolarHBondContact O-N 3.45Å; V1508-I1512 VanDerWaalsContact O-N 3.11Å; R1509-I1512 PolarHBondContact O-N 3.06Å; I1512-Q1514 PolarHBondContact O-N 2.95Å
1513L62.8Low52.4Low138 Ų138108.9 Ų108.972%0.72355%0.549SS*.THydrogen-bonded Turntrans-69.1-9.4177.5-85.6162.3000114.8R1509R1509-L1513 VanDerWaalsContact O-CB 3.31Å; R1509-L1513 WeakPolarHBondContact O-CB 3.3Å; R1509-L1513 WeakPolarHBondContact O-CG 3.49Å; R1509-L1513 PolarHBondContact O-N 3.43Å
1514Q60.9Low51.7Low144 Ų144108.1 Ų108.167%0.67356%0.556SS**THydrogen-bonded Turntrans-113.77.5-177.4-71.6176.954.200113.9Q1510 E1511 I1512Q1510-Q1514 VanDerWaalsContact O-CG 3.31Å; Q1510-Q1514 WeakPolarHBondContact O-CG 3.07Å; Q1510-Q1514 PolarHBondContact O-N 2.94Å; Q1510-Q1514 PolarHBondContact O-NE2 2.95Å; E1511-Q1514 PolarHBondContact O-N 2.99Å; I1512-Q1514 PolarHBondContact O-N 2.95Å
1515S48.9Very low51.3Low42 Ų42103.9 Ų103.929%0.29455%0.546SS..  trans-108.1107.9-173.3-65.10000112.8E1511 S1517 L1521E1511-S1515 PolarHBondContact O-OG 3.47Å; S1515-S1517 PolarHBondContact O-N 3.01Å; S1515-S1517 VanDerWaalsContact O-N 3.14Å; S1515-L1521 WeakPolarHBondContact OG-CD2 3.42Å
1516D47.4Very low50.9Low177 Ų177108.7 Ų108.795%0.94756%0.559SS**SBendtrans-64.5-15.1-175.5-69.3-38.2000115.3
1517S49.8Very low50.3Low47 Ų47113 Ų11333%0.32958%0.579SS.*SBendtrans-152.4146.1170172.90000110.2S1515 D1519 S1520S1515-S1517 PolarHBondContact O-N 3.01Å; S1515-S1517 VanDerWaalsContact O-N 3.14Å; S1517-D1519 PolarHBondContact O-N 3.24Å; S1517-D1519 PolarHBondContact OG-N 3.22Å; S1517-D1519 PolarHBondContact OG-OD2 2.94Å; S1517-S1520 WeakPolarHBondContact O-CB 3.47Å; S1517-S1520 PolarHBondContact O-N 3.42Å; S1517-S1520 PolarHBondContact O-OG 3.41Å; S1517-S1520 VanDerWaalsContact O-OG 3.04Å
1518I44.7Very low49Very low148 Ų148110 Ų11076%0.75957%0.574SS**G310 helixtrans-58.4-29.3176.9-157.1164.2000112.6S1520I1518-S1520 PolarHBondContact O-N 3.48Å
1519D48.2Very low48.1Very low139 Ų139118.7 Ų118.774%0.74360%0.599SS**G310 helixtrans-68.1-19.1176.1-55.1-56.7000113.3S1517 L1521S1517-D1519 PolarHBondContact O-N 3.24Å; S1517-D1519 PolarHBondContact OG-N 3.22Å; S1517-D1519 PolarHBondContact OG-OD2 2.94Å; D1519-L1521 VanDerWaalsContact C-N 3.34Å; D1519-L1521 PolarHBondContact O-N 2.94Å
1520S55.3Low46.8Very low75 Ų75119.6 Ų119.652%0.52460%0.604SS.*G310 helixtrans-78.7-17-172.2-480000113.5S1517 I1518 H1522S1517-S1520 WeakPolarHBondContact O-CB 3.47Å; S1517-S1520 PolarHBondContact O-N 3.42Å; S1517-S1520 PolarHBondContact O-OG 3.41Å; S1517-S1520 VanDerWaalsContact O-OG 3.04Å; I1518-S1520 PolarHBondContact O-N 3.48Å; S1520-H1522 PolarHBondContact O-N 2.89Å
1521L45.2Very low45.4Very low51 Ų51121.9 Ų121.927%0.26763%0.626SS.*G310 helixtrans-78.8-8.6-167.3-84.2160.3000115.2S1515 D1519S1515-L1521 WeakPolarHBondContact OG-CD2 3.42Å; D1519-L1521 VanDerWaalsContact C-N 3.34Å; D1519-L1521 PolarHBondContact O-N 2.94Å
1522H43.2Very low44.2Very low99 Ų99121.9 Ų121.946%0.45863%0.634SS.*THydrogen-bonded Turntrans-124.540.7-153.5-124.6-64.6000121.2S1520 L1525S1520-H1522 PolarHBondContact O-N 2.89Å; H1522-L1525 WeakPolarHBondContact CE1-CB 3.24Å
1523P41.3Very low43.3Very low101 Ų101121.4 Ų121.466%0.65664%0.641SS**THydrogen-bonded Turntrans-90.6-47148-15.531.8000113.1R1526P1523-R1526 PolarHBondContact O-N 3.39Å
1524A35.8Very low42.2Very low75 Ų75118.9 Ų118.962%0.6263%0.631SS**G310 helixtrans-68.9-40.2-168.600000113.4R1526 Q1527A1524-R1526 PolarHBondContact O-N 2.95Å; A1524-Q1527 PolarHBondContact O-N 2.88Å; A1524-Q1527 VanDerWaalsContact O-N 3.1Å
1525L38.4Very low41.6Very low98 Ų98114.4 Ų114.451%0.51361%0.614SS.*G310 helixtrans-64.3-5.9176-72.3171000114.2H1522H1522-L1525 WeakPolarHBondContact CE1-CB 3.24Å
1526R41.8Very low41.8Very low193 Ų193118.8 Ų118.873%0.72863%0.633SS**G310 helixtrans-89.5-4172.8-61.4-170.3-180-136.3-2.4114.2P1523 A1524P1523-R1526 PolarHBondContact O-N 3.39Å; A1524-R1526 PolarHBondContact O-N 2.95Å
1527Q43.5Very low42.1Very low179 Ų179114.3 Ų114.384%0.83660%0.603SS**THydrogen-bonded Turntrans-133.8-8.3-169.1-64.9-170.2-6.700116.3A1524A1524-Q1527 PolarHBondContact O-N 2.88Å; A1524-Q1527 VanDerWaalsContact O-N 3.1Å
1528S29.6Very low42.1Very low62 Ų62113.3 Ų113.343%0.43459%0.594SS.*SBendtrans-99.6147.1175.754.90000112.3Y1530S1528-Y1530 PolarHBondContact O-N 3.28Å
1529R33.6Very low42.7Very low252 Ų252112.5 Ų112.595%0.95158%0.582SS**  trans-82.292.8-175.9-66.7-179.5179.6-178.6-2111.2
1530Y33.7Very low43.5Very low170 Ų170109.9 Ų109.967%0.66757%0.566SS**  trans-127.6136168.9-68.5-77.2000110.8S1528 T1532S1528-Y1530 PolarHBondContact O-N 3.28Å; Y1530-T1532 PolarHBondContact O-N 2.68Å
1531P33.8Very low44Very low133 Ų133108.3 Ų108.386%0.86456%0.557SS**SBendtrans-84.847.3-168.836.4-38.1000113.5
1532T33.1Very low44.9Very low127 Ų127110.3 Ų110.378%0.77957%0.568SS**  trans-14174176.152.40000110.6Y1530Y1530-T1532 PolarHBondContact O-N 2.68Å
1533S37.8Very low46.2Very low100 Ų100110.7 Ų110.770%0.69957%0.57SS**  trans-149.7138.3168.257.40000112.1
1534V40.8Very low47.7Very low85 Ų85112 Ų11252%0.51557%0.57SS.*  trans-53.6123.4164.6173.20000107.9D1538V1534-D1538 HydrophobicContact CG1-CB 3.48Å; V1534-D1538 VanDerWaalsContact CG1-CB 3.48Å
1535P47.8Very low49.4Very low49 Ų49113.6 Ų113.632%0.31857%0.565SS.*  trans-54.9151.5178.5-22.627.9000112.2R1537 D1538 Y1539P1535-R1537 HydrophobicContact CB-CB 4.5Å; P1535-R1537 PolarHBondContact O-N 3.45Å; P1535-R1537 VanDerWaalsContact O-N 3.07Å; P1535-D1538 VanDerWaalsContact CB-OD1 3.28Å; P1535-D1538 WeakPolarHBondContact CB-OD1 3.25Å; P1535-D1538 WeakPolarHBondContact CD-OD2 3.39Å; P1535-D1538 VanDerWaalsContact CG-OD1 3.32Å; P1535-D1538 WeakPolarHBondContact CG-OD1 3.32Å; P1535-D1538 PolarHBondContact O-N 3.13Å; P1535-D1538 VanDerWaalsContact O-N 3.09Å; P1535-Y1539 PolarHBondContact O-N 3.04Å
1536I52.1Low50.9Low135 Ų135112 Ų11269%0.69256%0.557SS**Hα-helixtrans-56.4-28.7176.5-69.1169.8000111.3E1540I1536-E1540 HydrophobicContact CG2-CG 4.36Å; I1536-E1540 WeakPolarHBondContact O-CB 3.36Å; I1536-E1540 VanDerWaalsContact O-CG 3.23Å; I1536-E1540 WeakPolarHBondContact O-CG 3.48Å; I1536-E1540 PolarHBondContact O-N 3.05Å
1537R53.7Low52.5Low83 Ų83106.3 Ų106.331%0.31354%0.543SS..Hα-helixtrans-59.7-58.7172.9-60.8-176.8-174.7-172.447.1111.9S177 K178 D181 P1535 Y1539 E1540 A1541S177-R1537 VanDerWaalsContact C-NH1 3.3Å; S177-R1537 PolarHBondContact O-NH1 2.76Å; S177-R1537 PolarHBondContact OG-NH1 2.83Å; K178-R1537 HydrophobicContact CD-CB 3.94Å; K178-R1537 HydrophobicContact CD-CG 3.82Å; K178-R1537 HydrophobicContact CG-CB 4.48Å; K178-R1537 HydrophobicContact CG-CG 4.08Å; K178-R1537 VanDerWaalsContact N-NH1 3.17Å; D181-R1537 IonicContact OD2-CZ 3.75Å; D181-R1537 IonicContact OD2-NH1 2.72Å; D181-R1537 PolarHBondContact OD2-NH1 2.95Å; D181-R1537 IonicContact OD2-NH2 3.65Å; D181-R1537 PolarHBondContact OD2-NH2 2.79Å; P1535-R1537 HydrophobicContact CB-CB 4.5Å; P1535-R1537 PolarHBondContact O-N 3.45Å; P1535-R1537 VanDerWaalsContact O-N 3.07Å; R1537-Y1539 VanDerWaalsContact C-N 3.26Å; R1537-Y1539 PolarHBondContact O-N 3.46Å; R1537-E1540 WeakPolarHBondContact O-CB 3.31Å; R1537-E1540 PolarHBondContact O-N 2.86Å; R1537-E1540 VanDerWaalsContact O-N 3.16Å; R1537-A1541 WeakPolarHBondContact O-CB 3.47Å; R1537-A1541 PolarHBondContact O-N 3.21Å
1538D50.9Low54.1Low25 Ų25101.4 Ų101.413%0.13452%0.523CS..Hα-helixtrans-59.9-35.4179.1-50.738.4000111.4K185 V1534 P1535 A1541 L1542K185-D1538 IonicContact NZ-OD2 2.72Å; K185-D1538 PolarHBondContact NZ-OD2 2.86Å; V1534-D1538 HydrophobicContact CG1-CB 3.48Å; V1534-D1538 VanDerWaalsContact CG1-CB 3.48Å; P1535-D1538 VanDerWaalsContact CB-OD1 3.28Å; P1535-D1538 WeakPolarHBondContact CB-OD1 3.25Å; P1535-D1538 WeakPolarHBondContact CD-OD2 3.39Å; P1535-D1538 VanDerWaalsContact CG-OD1 3.32Å; P1535-D1538 WeakPolarHBondContact CG-OD1 3.32Å; P1535-D1538 PolarHBondContact O-N 3.13Å; P1535-D1538 VanDerWaalsContact O-N 3.09Å; D1538-A1541 PolarHBondContact O-N 2.66Å; D1538-L1542 WeakPolarHBondContact O-CB 3.14Å; D1538-L1542 PolarHBondContact O-N 3.27Å
1539Y58.2Low56.2Low131 Ų131100.6 Ų100.651%0.51451%0.514SS..Hα-helixtrans-69.7-42.5174.6-172.1-83.8000112.4P1535 R1537 A1541 L1542 Q1543P1535-Y1539 PolarHBondContact O-N 3.04Å; R1537-Y1539 VanDerWaalsContact C-N 3.26Å; R1537-Y1539 PolarHBondContact O-N 3.46Å; Y1539-A1541 VanDerWaalsContact C-N 3.31Å; Y1539-A1541 PolarHBondContact O-N 2.96Å; Y1539-L1542 PolarHBondContact O-N 2.95Å; Y1539-Q1543 HydrophobicContact CD1-CG 4.32Å; Y1539-Q1543 HydrophobicContact CE1-CG 3.99Å; Y1539-Q1543 PolarHBondContact O-N 3.17Å
1540E64.5Low58.3Low85 Ų8593.1 Ų93.140%0.39749%0.489SS..Hα-helixtrans-62.3-37.8171.2-74168.7167.800111.5K178 I1536 R1537 Q1543 L1544K178-E1540 IonicContact NZ-OE2 2.6Å; K178-E1540 PolarHBondContact NZ-OE2 2.87Å; I1536-E1540 HydrophobicContact CG2-CG 4.36Å; I1536-E1540 WeakPolarHBondContact O-CB 3.36Å; I1536-E1540 VanDerWaalsContact O-CG 3.23Å; I1536-E1540 WeakPolarHBondContact O-CG 3.48Å; I1536-E1540 PolarHBondContact O-N 3.05Å; R1537-E1540 WeakPolarHBondContact O-CB 3.31Å; R1537-E1540 PolarHBondContact O-N 2.86Å; R1537-E1540 VanDerWaalsContact O-N 3.16Å; E1540-Q1543 PolarHBondContact O-N 3.13Å; E1540-L1544 PolarHBondContact O-N 2.85Å
1541A65.1Low60.4Low41 Ų4189.1 Ų89.134%0.33948%0.479SS..Hα-helixtrans-66.9-43.1175.700000111.9R1537 D1538 Y1539 Q1543 L1544 H1545R1537-A1541 WeakPolarHBondContact O-CB 3.47Å; R1537-A1541 PolarHBondContact O-N 3.21Å; D1538-A1541 PolarHBondContact O-N 2.66Å; Y1539-A1541 VanDerWaalsContact C-N 3.31Å; Y1539-A1541 PolarHBondContact O-N 2.96Å; A1541-Q1543 VanDerWaalsContact C-N 3.33Å; A1541-Q1543 PolarHBondContact O-N 3.04Å; A1541-L1544 PolarHBondContact O-N 2.9Å; A1541-H1545 WeakPolarHBondContact O-CB 3.1Å; A1541-H1545 PolarHBondContact O-N 3.45Å
1542L63.9Low62.5Low94 Ų9487.7 Ų87.749%0.49246%0.461SS..Hα-helixtrans-62.2-37.1172.2-85.7161.1000112.3D1538 Y1539 N1546D1538-L1542 WeakPolarHBondContact O-CB 3.14Å; D1538-L1542 PolarHBondContact O-N 3.27Å; Y1539-L1542 PolarHBondContact O-N 2.95Å; L1542-N1546 WeakPolarHBondContact O-CB 3.15Å; L1542-N1546 PolarHBondContact O-N 3.02Å; L1542-N1546 PolarHBondContact O-ND2 2.73Å
1543Q70.2Confident64.6Low107 Ų10784.7 Ų84.750%0.544%0.44SS..Hα-helixtrans-67-42.4172.4-73.9-163.8-49.800112.3Y1539 E1540 A1541 T1547Y1539-Q1543 HydrophobicContact CD1-CG 4.32Å; Y1539-Q1543 HydrophobicContact CE1-CG 3.99Å; Y1539-Q1543 PolarHBondContact O-N 3.17Å; E1540-Q1543 PolarHBondContact O-N 3.13Å; A1541-Q1543 VanDerWaalsContact C-N 3.33Å; A1541-Q1543 PolarHBondContact O-N 3.04Å; Q1543-T1547 WeakPolarHBondContact O-CB 3.45Å; Q1543-T1547 PolarHBondContact O-N 3.06Å; Q1543-T1547 PolarHBondContact O-OG1 2.71Å
1544L72.7Confident66.4Low127 Ų12786.6 Ų86.667%0.66544%0.438SS*.Hα-helixtrans-63.3-42.1175.6-97.3159.1000112.3E1540 A1541 T1547 D1548E1540-L1544 PolarHBondContact O-N 2.85Å; A1541-L1544 PolarHBondContact O-N 2.9Å; L1544-T1547 WeakPolarHBondContact O-CB 3.17Å; L1544-T1547 PolarHBondContact O-N 3.07Å; L1544-D1548 PolarHBondContact O-N 3.43Å
1545H73Confident68.1Low110 Ų11087.8 Ų87.851%0.50944%0.438SS..Hα-helixtrans-67.6-42.1178.2-175.335.2000112.3A1541 T1547 D1548 L1549A1541-H1545 WeakPolarHBondContact O-CB 3.1Å; A1541-H1545 PolarHBondContact O-N 3.45Å; H1545-T1547 VanDerWaalsContact C-N 3.3Å; H1545-T1547 PolarHBondContact O-N 2.87Å; H1545-D1548 PolarHBondContact O-N 3.34Å; H1545-L1549 WeakPolarHBondContact O-CB 3.49Å; H1545-L1549 PolarHBondContact O-N 2.87Å
1546N69.7Low69.4Low64 Ų6489.9 Ų89.934%0.34245%0.446SS..Hα-helixtrans-64.1-35171.9-80.5-78.7000112.1L1542 Q1550L1542-N1546 WeakPolarHBondContact O-CB 3.15Å; L1542-N1546 PolarHBondContact O-N 3.02Å; L1542-N1546 PolarHBondContact O-ND2 2.73Å; N1546-Q1550 WeakPolarHBondContact O-CB 3.41Å; N1546-Q1550 WeakPolarHBondContact O-CG 3.26Å; N1546-Q1550 PolarHBondContact O-N 2.95Å
1547T75Confident70.5Confident73 Ų7387 Ų8745%0.44844%0.438SS..Hα-helixtrans-64.9-41.5174.4-54.50000111.1Q1543 L1544 H1545 Q1550 N1551Q1543-T1547 WeakPolarHBondContact O-CB 3.45Å; Q1543-T1547 PolarHBondContact O-N 3.06Å; Q1543-T1547 PolarHBondContact O-OG1 2.71Å; L1544-T1547 WeakPolarHBondContact O-CB 3.17Å; L1544-T1547 PolarHBondContact O-N 3.07Å; H1545-T1547 VanDerWaalsContact C-N 3.3Å; H1545-T1547 PolarHBondContact O-N 2.87Å; T1547-Q1550 PolarHBondContact O-N 3.17Å; T1547-N1551 PolarHBondContact O-N 3.25Å; T1547-N1551 PolarHBondContact O-ND2 2.8Å
1548D77.1Confident71.5Confident76 Ų7685.4 Ų85.441%0.40644%0.443SS..Hα-helixtrans-69.5-41.5177.1-162.765000112.3L1544 H1545 Q1550 N1551 Q1552L1544-D1548 PolarHBondContact O-N 3.43Å; H1545-D1548 PolarHBondContact O-N 3.34Å; D1548-Q1550 VanDerWaalsContact C-N 3.3Å; D1548-Q1550 PolarHBondContact O-N 2.92Å; D1548-N1551 WeakPolarHBondContact O-CB 3.26Å; D1548-N1551 PolarHBondContact O-N 3.31Å; D1548-N1551 VanDerWaalsContact O-N 3.13Å; D1548-Q1552 WeakPolarHBondContact O-CG 3.2Å; D1548-Q1552 PolarHBondContact O-N 3.01Å; D1548-Q1552 PolarHBondContact OD2-NE2 2.93Å
1549L74.2Confident72.6Confident46 Ų4688.4 Ų88.424%0.24146%0.458CS..Hα-helixtrans-57-42.1170.7-83163.2000112H1545 Q1552 L1553H1545-L1549 WeakPolarHBondContact O-CB 3.49Å; H1545-L1549 PolarHBondContact O-N 2.87Å; L1549-Q1552 PolarHBondContact O-N 3.42Å; L1549-L1553 WeakPolarHBondContact O-CB 3.45Å; L1549-L1553 PolarHBondContact O-N 3.3Å
1550Q76.5Confident73.5Confident94 Ų9488.9 Ų88.944%0.43946%0.463SS..Hα-helixtrans-67-36.1174.8-78.7-172.1-1300113.1E825 N1546 T1547 D1548 L1553 Q1554E825-Q1550 WeakPolarHBondContact OE1-CG 3.41Å; E825-Q1550 PolarHBondContact OE1-NE2 3.45Å; N1546-Q1550 WeakPolarHBondContact O-CB 3.41Å; N1546-Q1550 WeakPolarHBondContact O-CG 3.26Å; N1546-Q1550 PolarHBondContact O-N 2.95Å; T1547-Q1550 PolarHBondContact O-N 3.17Å; D1548-Q1550 VanDerWaalsContact C-N 3.3Å; D1548-Q1550 PolarHBondContact O-N 2.92Å; Q1550-L1553 PolarHBondContact O-N 2.96Å; Q1550-Q1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; Q1550-Q1554 PolarHBondContact O-N 3.29Å
1551N78Confident73.9Confident86 Ų8689.2 Ų89.246%0.4647%0.465SS..Hα-helixtrans-65.1-43.3172.3-67.1-30.5000111.5T1547 D1548 Q1554 Q1555T1547-N1551 PolarHBondContact O-N 3.25Å; T1547-N1551 PolarHBondContact O-ND2 2.8Å; D1548-N1551 WeakPolarHBondContact O-CB 3.26Å; D1548-N1551 PolarHBondContact O-N 3.31Å; D1548-N1551 VanDerWaalsContact O-N 3.13Å; N1551-Q1554 PolarHBondContact O-N 3.3Å; N1551-Q1555 WeakPolarHBondContact O-CB 3.42Å; N1551-Q1555 PolarHBondContact O-N 3.3Å
1552Q79.2Confident74.1Confident104 Ų10489.5 Ų89.549%0.48647%0.468SS..Hα-helixtrans-64.5-40.7176.6-68.4-177.93700111.7D1548 L1549 Q1555 L1556D1548-Q1552 WeakPolarHBondContact O-CG 3.2Å; D1548-Q1552 PolarHBondContact O-N 3.01Å; D1548-Q1552 PolarHBondContact OD2-NE2 2.93Å; L1549-Q1552 PolarHBondContact O-N 3.42Å; Q1552-Q1555 PolarHBondContact O-N 2.98Å; Q1552-L1556 WeakPolarHBondContact O-CB 3.48Å; Q1552-L1556 PolarHBondContact O-N 3.01Å
1553L75.5Confident74.2Confident64 Ų6490 Ų9034%0.33547%0.471SS..Hα-helixtrans-64.8-40.9173.1-94.2160.1000112.5E825 L1549 Q1550 S1557E825-L1553 HydrophobicContact CG-CD1 3.93Å; L1549-L1553 WeakPolarHBondContact O-CB 3.45Å; L1549-L1553 PolarHBondContact O-N 3.3Å; Q1550-L1553 PolarHBondContact O-N 2.96Å; L1553-S1557 VanDerWaalsContact O-CB 3.29Å; L1553-S1557 WeakPolarHBondContact O-CB 3.3Å; L1553-S1557 PolarHBondContact O-N 2.69Å
1554Q77.4Confident74.1Confident140 Ų14092.6 Ų92.665%0.65448%0.475SS*.Hα-helixtrans-65.3-41173.8-78.1-171.63.700112.1Q1550 N1551 S1557 A1558Q1550-Q1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-Q1554 WeakPolarHBondContact O-CG 3.38Å; Q1550-Q1554 PolarHBondContact O-N 3.29Å; N1551-Q1554 PolarHBondContact O-N 3.3Å; Q1554-S1557 PolarHBondContact O-N 3.42Å; Q1554-A1558 WeakPolarHBondContact O-CB 3.28Å; Q1554-A1558 PolarHBondContact O-N 2.85Å
1555Q76.7Confident73.8Confident109 Ų10989.8 Ų89.851%0.50947%0.466SS..Hα-helixtrans-64-48.5176.3-177.656.548.400111.2N1551 Q1552 S1557 A1558 D1559N1551-Q1555 WeakPolarHBondContact O-CB 3.42Å; N1551-Q1555 PolarHBondContact O-N 3.3Å; Q1552-Q1555 PolarHBondContact O-N 2.98Å; Q1555-S1557 VanDerWaalsContact C-N 3.32Å; Q1555-S1557 PolarHBondContact O-N 3.44Å; Q1555-A1558 PolarHBondContact O-N 2.87Å; Q1555-A1558 VanDerWaalsContact O-N 3.13Å; Q1555-D1559 PolarHBondContact NE2-OD1 2.89Å; Q1555-D1559 VanDerWaalsContact NE2-OD1 3.15Å; Q1555-D1559 PolarHBondContact NE2-OD2 2.89Å; Q1555-D1559 PolarHBondContact O-N 2.67Å
1556L75Confident73.4Confident93 Ų9391.9 Ų91.949%0.48747%0.474SS..Hα-helixtrans-58.4-42.3173.9-83.3161.9000112Q1552 D1559 F1560Q1552-L1556 WeakPolarHBondContact O-CB 3.48Å; Q1552-L1556 PolarHBondContact O-N 3.01Å; L1556-D1559 PolarHBondContact O-N 3.37Å; L1556-F1560 HydrophobicContact CD2-CE2 4.42Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.33Å; L1556-F1560 PolarHBondContact O-N 3.46Å
1557S74.9Confident72.2Confident74 Ų7492.4 Ų92.452%0.51748%0.482SS..Hα-helixtrans-64.3-38.9175.7-169.50000112.2L1553 Q1554 Q1555 E1561L1553-S1557 VanDerWaalsContact O-CB 3.29Å; L1553-S1557 WeakPolarHBondContact O-CB 3.3Å; L1553-S1557 PolarHBondContact O-N 2.69Å; Q1554-S1557 PolarHBondContact O-N 3.42Å; Q1555-S1557 VanDerWaalsContact C-N 3.32Å; Q1555-S1557 PolarHBondContact O-N 3.44Å; S1557-E1561 WeakPolarHBondContact O-CB 3.43Å; S1557-E1561 PolarHBondContact O-N 3.36Å
1558A74.5Confident71.4Confident51 Ų5192.6 Ų92.642%0.42148%0.483SS..Hα-helixtrans-68.2-39.5175.900000111.8Q1554 Q1555 E1561 A1562Q1554-A1558 WeakPolarHBondContact O-CB 3.28Å; Q1554-A1558 PolarHBondContact O-N 2.85Å; Q1555-A1558 PolarHBondContact O-N 2.87Å; Q1555-A1558 VanDerWaalsContact O-N 3.13Å; A1558-E1561 PolarHBondContact O-N 2.81Å; A1558-A1562 VanDerWaalsContact O-CB 3.24Å; A1558-A1562 WeakPolarHBondContact O-CB 3.34Å; A1558-A1562 PolarHBondContact O-N 3.06Å
1559D73.3Confident70.2Confident87 Ų8791.7 Ų91.747%0.46549%0.486SS..Hα-helixtrans-67.4-39.7175.8-72.6-37.4000111.7Q1555 L1556 A1562 L1563Q1555-D1559 PolarHBondContact NE2-OD1 2.89Å; Q1555-D1559 VanDerWaalsContact NE2-OD1 3.15Å; Q1555-D1559 PolarHBondContact NE2-OD2 2.89Å; Q1555-D1559 PolarHBondContact O-N 2.67Å; L1556-D1559 PolarHBondContact O-N 3.37Å; D1559-A1562 PolarHBondContact O-N 2.87Å; D1559-L1563 VanDerWaalsContact O-CB 3.31Å; D1559-L1563 WeakPolarHBondContact O-CB 3.27Å; D1559-L1563 PolarHBondContact O-N 3.42Å
1560F76.4Confident68.6Low141 Ų14192.8 Ų92.862%0.61850%0.502SS*.Hα-helixtrans-65.1-42.1170.8-78-58.1000112.4L1556 A1562 L1563 R1564L1556-F1560 HydrophobicContact CD2-CE2 4.42Å; L1556-F1560 WeakPolarHBondContact O-CD2 3.33Å; L1556-F1560 PolarHBondContact O-N 3.46Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 2.75Å; F1560-L1563 PolarHBondContact O-N 3.28Å; F1560-R1564 WeakPolarHBondContact O-CB 3.45Å; F1560-R1564 PolarHBondContact O-N 3.06Å
1561E74.3Confident66.7Low92 Ų9292.6 Ų92.643%0.4351%0.51SS..Hα-helixtrans-66.5-33.1176.2-158.475.2-95.600111.4S1557 A1558 R1564 S1565S1557-E1561 WeakPolarHBondContact O-CB 3.43Å; S1557-E1561 PolarHBondContact O-N 3.36Å; A1558-E1561 PolarHBondContact O-N 2.81Å; E1561-R1564 WeakPolarHBondContact OE1-CD 3.31Å; E1561-R1564 IonicContact OE1-CZ 2.72Å; E1561-R1564 IonicContact OE1-NE 2.77Å; E1561-R1564 IonicContact OE1-NH1 2.65Å; E1561-R1564 PolarHBondContact OE1-NH1 3.07Å; E1561-R1564 IonicContact OE2-NH1 3.57Å; E1561-S1565 WeakPolarHBondContact O-CB 3.08Å; E1561-S1565 PolarHBondContact O-N 2.92Å; E1561-S1565 PolarHBondContact O-OG 3.23Å
1562A69.7Low64.8Low48 Ų4891.1 Ų91.140%0.39751%0.507SS..Hα-helixtrans-72.6-39.3173.500000112.5A1558 D1559 F1560 S1565 K1566A1558-A1562 VanDerWaalsContact O-CB 3.24Å; A1558-A1562 WeakPolarHBondContact O-CB 3.34Å; A1558-A1562 PolarHBondContact O-N 3.06Å; D1559-A1562 PolarHBondContact O-N 2.87Å; F1560-A1562 VanDerWaalsContact C-N 3.31Å; F1560-A1562 PolarHBondContact O-N 2.75Å; A1562-S1565 PolarHBondContact O-N 3.05Å; A1562-K1566 WeakPolarHBondContact O-CG 3.05Å; A1562-K1566 PolarHBondContact O-N 2.97Å
1563L65.8Low62.8Low105 Ų10591 Ų9155%0.5552%0.517SS..Hα-helixtrans-66.4-44174.4-156.379.1000110.7D1559 F1560 S1565 K1566 C1567D1559-L1563 VanDerWaalsContact O-CB 3.31Å; D1559-L1563 WeakPolarHBondContact O-CB 3.27Å; D1559-L1563 PolarHBondContact O-N 3.42Å; F1560-L1563 PolarHBondContact O-N 3.28Å; L1563-S1565 VanDerWaalsContact C-N 3.35Å; L1563-K1566 PolarHBondContact O-N 3.29Å; L1563-C1567 PolarHBondContact O-N 3.44Å; L1563-C1567 PolarHBondContact O-SG 3.04Å
1564R68.4Low60.8Low160 Ų16092 Ų9260%0.60453%0.534SS*.Hα-helixtrans-61.9-40.6172.2-177.2177.8175.6-147.710111.4F1560 E1561 C1567 T1568F1560-R1564 WeakPolarHBondContact O-CB 3.45Å; F1560-R1564 PolarHBondContact O-N 3.06Å; E1561-R1564 WeakPolarHBondContact OE1-CD 3.31Å; E1561-R1564 IonicContact OE1-CZ 2.72Å; E1561-R1564 IonicContact OE1-NE 2.77Å; E1561-R1564 IonicContact OE1-NH1 2.65Å; E1561-R1564 PolarHBondContact OE1-NH1 3.07Å; E1561-R1564 IonicContact OE2-NH1 3.57Å; R1564-C1567 PolarHBondContact O-N 3.15Å; R1564-T1568 WeakPolarHBondContact O-CB 3.34Å; R1564-T1568 PolarHBondContact O-N 3.2Å; R1564-T1568 PolarHBondContact O-OG1 3.36Å
1565S65.8Low58.7Low68 Ų6888.5 Ų88.548%0.47653%0.525SS..Hα-helixtrans-67.5-35.7174.3-65.60000112.5E1561 A1562 L1563 A1569E1561-S1565 WeakPolarHBondContact O-CB 3.08Å; E1561-S1565 PolarHBondContact O-N 2.92Å; E1561-S1565 PolarHBondContact O-OG 3.23Å; A1562-S1565 PolarHBondContact O-N 3.05Å; L1563-S1565 VanDerWaalsContact C-N 3.35Å; S1565-A1569 WeakPolarHBondContact O-CB 3.32Å; S1565-A1569 PolarHBondContact O-N 3.5Å
1566K64.9Low56.8Low155 Ų15589.9 Ų89.967%0.67454%0.537SS*.Hα-helixtrans-65.5-46.3171.5-81.6175.9176172.30112A1562 L1563 A1569 A1570A1562-K1566 WeakPolarHBondContact O-CG 3.05Å; A1562-K1566 PolarHBondContact O-N 2.97Å; L1563-K1566 PolarHBondContact O-N 3.29Å; K1566-A1569 PolarHBondContact O-N 3.4Å; K1566-A1570 WeakPolarHBondContact O-CB 3.38Å; K1566-A1570 PolarHBondContact O-N 2.92Å
1567C44.8Very low54.7Low75 Ų7594.1 Ų94.151%0.50755%0.551SS.*Hα-helixtrans-64.2-43.5176-62.20000111.1L1563 R1564 A1569 A1570 C1571L1563-C1567 PolarHBondContact O-N 3.44Å; L1563-C1567 PolarHBondContact O-SG 3.04Å; R1564-C1567 PolarHBondContact O-N 3.15Å; C1567-A1569 VanDerWaalsContact C-N 3.34Å; C1567-A1569 PolarHBondContact O-N 3.28Å; C1567-A1570 PolarHBondContact O-N 3.45Å; C1567-C1571 WeakPolarHBondContact O-CB 3.34Å; C1567-C1571 PolarHBondContact O-N 3.33Å; C1567-C1571 PolarHBondContact O-SG 3.24Å; C1567-C1571 VanDerWaalsContact O-SG 3.37Å
1568T58.1Low52.8Low76 Ų7698.2 Ų98.247%0.46657%0.567SS.*Hα-helixtrans-65.1-37.2176.4-56.30000111.1R1564 C1571 S1572R1564-T1568 WeakPolarHBondContact O-CB 3.34Å; R1564-T1568 PolarHBondContact O-N 3.2Å; R1564-T1568 PolarHBondContact O-OG1 3.36Å; T1568-C1571 PolarHBondContact O-N 2.92Å; T1568-S1572 WeakPolarHBondContact O-CA 3.05Å; T1568-S1572 WeakPolarHBondContact O-CB 2.97Å; T1568-S1572 PolarHBondContact O-N 2.92Å; T1568-S1572 PolarHBondContact O-OG 3.5Å
1569A50.7Low50.8Low58 Ų58100.3 Ų100.348%0.47958%0.578SS.*Hα-helixtrans-65.5-44.2173.600000111.9S1565 K1566 C1567 C1571 S1572 S1573S1565-A1569 WeakPolarHBondContact O-CB 3.32Å; S1565-A1569 PolarHBondContact O-N 3.5Å; K1566-A1569 PolarHBondContact O-N 3.4Å; C1567-A1569 VanDerWaalsContact C-N 3.34Å; C1567-A1569 PolarHBondContact O-N 3.28Å; A1569-C1571 VanDerWaalsContact C-N 3.28Å; A1569-C1571 PolarHBondContact O-N 3.43Å; A1569-S1572 PolarHBondContact O-N 3.27Å; A1569-S1573 PolarHBondContact O-N 2.78Å; A1569-S1573 PolarHBondContact O-OG 3.42Å
1570A41.5Very low48.8Very low68 Ų68103.3 Ų103.356%0.56259%0.594SS**Hα-helixtrans-63.8-30.6175.500000113.3K1566 C1567 S1573K1566-A1570 WeakPolarHBondContact O-CB 3.38Å; K1566-A1570 PolarHBondContact O-N 2.92Å; C1567-A1570 PolarHBondContact O-N 3.45Å; A1570-S1573 PolarHBondContact O-OG 3.37Å
1571C36.3Very low46.6Very low90 Ų90100.4 Ų100.461%0.60859%0.591SS**Hα-helixtrans-85.1-27.4172.5-66.20000113.1C1567 T1568 A1569 A1574 S1575C1567-C1571 WeakPolarHBondContact O-CB 3.34Å; C1567-C1571 PolarHBondContact O-N 3.33Å; C1567-C1571 PolarHBondContact O-SG 3.24Å; C1567-C1571 VanDerWaalsContact O-SG 3.37Å; T1568-C1571 PolarHBondContact O-N 2.92Å; A1569-C1571 VanDerWaalsContact C-N 3.28Å; A1569-C1571 PolarHBondContact O-N 3.43Å; C1571-A1574 WeakPolarHBondContact O-CB 3.35Å; C1571-A1574 PolarHBondContact O-N 2.73Å; C1571-A1574 VanDerWaalsContact O-N 3.13Å; C1571-S1575 PolarHBondContact O-N 2.8Å
1572S38.8Very low44.6Very low56 Ų56105.2 Ų105.239%0.39261%0.613SS.*Hα-helixtrans-80.5-23.7-179.2-60.90000112.8T1568 A1569 A1574 S1575T1568-S1572 WeakPolarHBondContact O-CA 3.05Å; T1568-S1572 WeakPolarHBondContact O-CB 2.97Å; T1568-S1572 PolarHBondContact O-N 2.92Å; T1568-S1572 PolarHBondContact O-OG 3.5Å; A1569-S1572 PolarHBondContact O-N 3.27Å; S1572-A1574 PolarHBondContact O-N 3.31Å; S1572-S1575 WeakPolarHBondContact CA-OG 3.41Å; S1572-S1575 PolarHBondContact O-N 3.38Å; S1572-S1575 PolarHBondContact O-OG 3.31Å; S1572-S1575 VanDerWaalsContact O-OG 3.06Å
1573S37.1Very low42.8Very low100 Ų100107.5 Ų107.570%0.69963%0.627SS**THydrogen-bonded Turntrans-61.4-15163.244.80000112.9A1569 A1570A1569-S1573 PolarHBondContact O-N 2.78Å; A1569-S1573 PolarHBondContact O-OG 3.42Å; A1570-S1573 PolarHBondContact O-OG 3.37Å
1574A32.7Very low41.1Very low85 Ų85110.1 Ų110.170%0.70264%0.64SS**THydrogen-bonded Turntrans-101.4-0.7170.300000114.3C1571 S1572C1571-A1574 WeakPolarHBondContact O-CB 3.35Å; C1571-A1574 PolarHBondContact O-N 2.73Å; C1571-A1574 VanDerWaalsContact O-N 3.13Å; S1572-A1574 PolarHBondContact O-N 3.31Å
1575S34Very low39.3Very low67 Ų67109.2 Ų109.247%0.46964%0.643SS.*  trans-99.81.4-171.776.60000115.4C1571 S1572 K1577C1571-S1575 PolarHBondContact O-N 2.8Å; S1572-S1575 WeakPolarHBondContact CA-OG 3.41Å; S1572-S1575 PolarHBondContact O-N 3.38Å; S1572-S1575 PolarHBondContact O-OG 3.31Å; S1572-S1575 VanDerWaalsContact O-OG 3.06Å; S1575-K1577 PolarHBondContact O-N 3.49Å
1576N35.7Very low37.7Very low139 Ų139112.2 Ų112.274%0.74365%0.652SS**  trans-80.664.7-177.8-141.53.4000112.2N1578N1576-N1578 PolarHBondContact O-N 2.89Å
1577K32.2Very low36.1Very low182 Ų182113 Ų11379%0.79166%0.658SS**THydrogen-bonded Turntrans-68.682.4-178.4-63.1172.3-175.9174.10110.9S1575S1575-K1577 PolarHBondContact O-N 3.49Å
1578N34.5Very low35.4Very low160 Ų160116 Ų11686%0.85667%0.674SS**THydrogen-bonded Turntrans-179.73.2153.3-93.5-19.3000116N1576N1576-N1578 PolarHBondContact O-N 2.89Å
1579S32.5Very low34.2Very low94 Ų94117.2 Ų117.266%0.65768%0.681SS**SBendtrans-130.625-175710000116.1
1580L30.6Very low33.1Very low150 Ų150120.8 Ų120.879%0.78569%0.692SS**  trans-134.322.4172-100.9167.9000112.6E1582L1580-E1582 PolarHBondContact O-N 3.03Å
1581S30.6Very low32.6Very low81 Ų81124.1 Ų124.157%0.56670%0.7SS**THydrogen-bonded Turntrans-75.822-178.951.90000114.8
1582E31.5Very low32.2Very low192 Ų192125.8 Ų125.890%0.89771%0.708SS**THydrogen-bonded Turntrans-128.911-174.7-159.1160.7-144.300113L1580L1580-E1582 PolarHBondContact O-N 3.03Å
1583S33.3Very low32Very low97 Ų97129.1 Ų129.168%0.67873%0.726SS**THydrogen-bonded Turntrans-123.9-17.5173.9-1570000114.4
1584L28.5Very low31.6Very low159 Ų159135.2 Ų135.283%0.83273%0.734SS**SBendtrans-142.885.2164.8-93.2117.3000110.5
1585H31.8Very low31.7Very low142 Ų142135.9 Ų135.966%0.65773%0.733SS**  trans-138.5110163.9-117.554.3000112.5
1586I30.9Very low31.7Very low131 Ų131139.4 Ų139.467%0.67275%0.746SS**  trans9112.7142.6-52.7164.8000114.9
1587H31.7Very low31.5Very low171 Ų171138.1 Ų138.179%0.79274%0.74SS**  trans-14181.4147.5-115.3-67000112.4V1589H1587-V1589 VanDerWaalsContact C-N 3.25Å; H1587-V1589 PolarHBondContact O-N 2.89Å
1588T30.5Very low31.5Very low137 Ų137139.6 Ų139.684%0.8474%0.742SS**  trans-74.877.1164-47.10000109.6
1589V32.1Very low31.2Very low102 Ų102137.4 Ų137.462%0.61874%0.739SS**  trans-142.3125.6166.8-177.60000110.3H1587H1587-V1589 VanDerWaalsContact C-N 3.25Å; H1587-V1589 PolarHBondContact O-N 2.89Å
1590D28.8Very low31.2Very low133 Ų133141.2 Ų141.271%0.71175%0.751SS**  trans-10123.6164.9-41.9-41.4000116.8
1591N29.8Very low31.1Very low138 Ų138138.7 Ų138.774%0.73875%0.746SS**  -174.815073.9-97-76000115.8
1592T29.5Very low31.1Very low125 Ų125142.5 Ų142.577%0.76775%0.753SS**  trans65.1147.6153.460.20000122.1
1593V33.2Very low31.1Very low127 Ų127140.1 Ų140.177%0.7775%0.746SS**  trans81.761.8165.3-151.70000119.2
1594R30.2Very low31.1Very low228 Ų228139.8 Ų139.886%0.8674%0.744SS**  5995.1109.4-162.3-167.4-151172.45.2118.7
1595S33.9Very low31.4Very low99 Ų99140.1 Ų140.169%0.69275%0.745SS**  170139108-70.40000113.8
1596N33.3Very low31.5Very low140 Ų140138.6 Ų138.675%0.74975%0.747SS**  trans14.1137.6139.5-47.11.4000118
1597N33Very low31.6Very low112 Ų112136.8 Ų136.860%0.59974%0.744SS**  cis-170168.56.9-100.8-6.8000106.6
1598Y32.4Very low31.9Very low214 Ų214136 Ų13684%0.83975%0.746SS**  cis-147.4175.31.1-98.9-47.6000107.6
1599S26.8Very low32.1Very low114 Ų114140.5 Ų140.580%0.79775%0.749SS**  trans-146.1147.416058.90000111.6
1600L32.5Very low32.1Very low173 Ų173143.7 Ų143.791%0.90676%0.757SS**  trans-135.5124.9171.7-89.2170.4000109.3
1601S28.7Very low32.2Very low97 Ų97145.9 Ų145.968%0.67876%0.762SS**  trans-104.4127.8-17955.10000110.9
1602F30.8Very low32.4Very low162 Ų162146 Ų14671%0.71177%0.768SS**  trans-93.997.2166.1-91.4-82.5000110.7L1198L1198-F1602 HydrophobicContact CD1-CE1 4.43Å; L1198-F1602 HydrophobicContact CD1-CZ 4.25Å
1603N32Very low32.5Very low142 Ų142148 Ų14876%0.75977%0.773SS**  trans-110.2108.6162.9-75.8-37.5000107.4
1604S33.1Very low32.4Very low90 Ų90150.1 Ų150.163%0.62978%0.779SS**  trans170.582.8152.3-810000113.1
1605I34.5Very low32.6Very low166 Ų166145.8 Ų145.885%0.85178%0.778SS**  trans-135.6146.1160.6-69.7-170.5000108.1
1606P33.6Very low32.5Very low110 Ų110146.2 Ų146.271%0.71478%0.781SS**  trans-76.6167.8-153.9-20.235.9000117.8
1607P33.2Very low32.4Very low92 Ų92146.2 Ų146.260%0.59779%0.789SS**SBendtrans-91.13.5-157.736.2-38000118Y1609P1607-Y1609 VanDerWaalsContact C-N 3.26Å; P1607-Y1609 PolarHBondContact O-N 3.38Å; P1607-Y1609 VanDerWaalsContact O-N 3.12Å
1608D37.6Very low32.3Very low156 Ų156145.1 Ų145.183%0.83479%0.79SS**THydrogen-bonded Turntrans-77.74.8-167.6-74-30.2000116.2
1609Y35.1Very low32.6Very low230 Ų230142.3 Ų142.390%0.90279%0.79SS**THydrogen-bonded Turntrans-111.617.9176.8-85.7-92.6000114P1607 H1611P1607-Y1609 VanDerWaalsContact C-N 3.26Å; P1607-Y1609 PolarHBondContact O-N 3.38Å; P1607-Y1609 VanDerWaalsContact O-N 3.12Å; Y1609-H1611 PolarHBondContact O-N 2.93Å; Y1609-H1611 VanDerWaalsContact O-N 3.16Å
1610Q31.5Very low33.6Very low169 Ų169142.3 Ų142.379%0.7978%0.78SS**  trans-91.944.9-167-152.616346.700115.7
1611H32.3Very low34.1Very low179 Ų179143.7 Ų143.783%0.82977%0.774SS**SBendtrans-132.6153.9168.6-97.4-95.8000111Y1609Y1609-H1611 PolarHBondContact O-N 2.93Å; Y1609-H1611 VanDerWaalsContact O-N 3.16Å
1612V33.9Very low34.4Very low141 Ų141145.6 Ų145.686%0.85578%0.775SS**SBendtrans88-2.4174.7-168.30000117.8
1613L30.7Very low35.4Very low168 Ų168143.3 Ų143.388%0.8877%0.767SS**  trans-121.251.2175.1-75177.6000116.1
1614L31.5Very low36.4Very low171 Ų171142.6 Ų142.690%0.89576%0.759SS**  trans-145.474.3169.9-80.1-178.2000114.7
1615T34.3Very low37.2Very low136 Ų136143.7 Ų143.783%0.83476%0.757SS**SBendtrans-156.2109.2148.641.80000111.9
1616S31.4Very low38.6Very low109 Ų109140.5 Ų140.576%0.76275%0.745SS**  trans38.793.6155.1-55.10000120.2S1618S1616-S1618 PolarHBondContact O-N 3.28Å
1617P31Very low40.1Very low140 Ų140139.8 Ų139.891%0.90973%0.733SS**  trans-90.879175.636.2-34000113.5
1618S32.1Very low41.8Very low88 Ų88143 Ų14362%0.61573%0.734SS**SBendtrans-154.2139.6163.757.40000111.2S1616S1616-S1618 PolarHBondContact O-N 3.28Å
1619D38.6Very low43.5Very low156 Ų156139.4 Ų139.483%0.83471%0.712SS**SBendtrans83.5-26177-54-20.2000118.9
1620N47.2Very low45.5Very low113 Ų113134.4 Ų134.460%0.60469%0.692SS**THydrogen-bonded Turntrans-81.1-15.4-173.7-83.37.3000117.6L1622 H1623 E1624N1620-L1622 PolarHBondContact O-N 3.4Å; N1620-L1622 VanDerWaalsContact O-N 3.07Å; N1620-H1623 WeakPolarHBondContact O-CB 3.49Å; N1620-H1623 PolarHBondContact O-N 2.85Å; N1620-E1624 PolarHBondContact O-N 2.94Å
1621R42.6Very low47.9Very low202 Ų202128.3 Ų128.376%0.76267%0.665SS**Hα-helixtrans-58.2-27.7-170.9-99.1-173.1171.7-169.2-3.6115.1L1625R1621-L1625 WeakPolarHBondContact O-CG 3.48Å
1622L36Very low50Low137 Ų137124.5 Ų124.572%0.71765%0.646SS**Hα-helixtrans-76.9-25.2174.6-75.3172000113N1620 L1625 V1626N1620-L1622 PolarHBondContact O-N 3.4Å; N1620-L1622 VanDerWaalsContact O-N 3.07Å; L1622-L1625 HydrophobicContact CD2-CD1 4.47Å; L1622-V1626 WeakPolarHBondContact O-CG2 3.42Å; L1622-V1626 PolarHBondContact O-N 3.37Å
1623H51.2Low52.2Low115 Ų115121.7 Ų121.753%0.53263%0.626SS.*Hα-helixtrans-74.9-41.7179.9-157.70.9000111N1620 L1625 V1626 E1627N1620-H1623 WeakPolarHBondContact O-CB 3.49Å; N1620-H1623 PolarHBondContact O-N 2.85Å; H1623-L1625 VanDerWaalsContact C-N 3.35Å; H1623-L1625 PolarHBondContact O-N 3.09Å; H1623-V1626 PolarHBondContact O-N 3.37Å; H1623-E1627 PolarHBondContact O-N 3.03Å
1624E52.5Low54.6Low127 Ų127114.1 Ų114.159%0.59359%0.587SS**Hα-helixtrans-62.3-38.8175.5-67.8174.3128.900112.1N1620 V1626 E1627 Y1628N1620-E1624 PolarHBondContact O-N 2.94Å; E1624-V1626 PolarHBondContact O-N 2.75Å; E1624-E1627 PolarHBondContact O-N 3.18Å; E1624-Y1628 VanDerWaalsContact O-CB 3.28Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.36Å; E1624-Y1628 PolarHBondContact O-N 3.47Å
1625L50.2Low56.9Low112 Ų112109.2 Ų109.259%0.58656%0.561SS**Hα-helixtrans-63.1-38.8174.2-75.4167.9000112.7R1621 L1622 H1623 E1629R1621-L1625 WeakPolarHBondContact O-CG 3.48Å; L1622-L1625 HydrophobicContact CD2-CD1 4.47Å; H1623-L1625 VanDerWaalsContact C-N 3.35Å; H1623-L1625 PolarHBondContact O-N 3.09Å; L1625-E1629 PolarHBondContact O-N 3.17Å
1626V63.5Low59Low100 Ų100108.2 Ų108.261%0.60655%0.545SS*.Hα-helixtrans-73.4-39.3177.2172.80000111.7L1622 H1623 E1624 Y1628 Y1630L1622-V1626 WeakPolarHBondContact O-CG2 3.42Å; L1622-V1626 PolarHBondContact O-N 3.37Å; H1623-V1626 PolarHBondContact O-N 3.37Å; E1624-V1626 PolarHBondContact O-N 2.75Å; V1626-Y1628 VanDerWaalsContact C-N 3.33Å; V1626-Y1630 VanDerWaalsContact O-CB 3.3Å; V1626-Y1630 WeakPolarHBondContact O-CB 3.48Å; V1626-Y1630 PolarHBondContact O-N 3.32Å
1627E66.5Low61.5Low95 Ų95105.3 Ų105.344%0.44452%0.52SS..Hα-helixtrans-64.2-37.8172.8-71.8-165.7159.800111.7H1623 E1624 L1631H1623-E1627 PolarHBondContact O-N 3.03Å; E1624-E1627 PolarHBondContact O-N 3.18Å; E1627-L1631 VanDerWaalsContact O-CB 3.28Å; E1627-L1631 WeakPolarHBondContact O-CB 3.3Å; E1627-L1631 PolarHBondContact O-N 3.23Å
1628Y69Low64.1Low159 Ų159100.9 Ų100.962%0.62449%0.485SS*.Hα-helixtrans-66.3-49.5176.9-175.5-101.2000112.5E1624 V1626 Y1630 L1631 K1632E1624-Y1628 VanDerWaalsContact O-CB 3.28Å; E1624-Y1628 WeakPolarHBondContact O-CB 3.36Å; E1624-Y1628 PolarHBondContact O-N 3.47Å; V1626-Y1628 VanDerWaalsContact C-N 3.33Å; Y1628-Y1630 VanDerWaalsContact C-N 3.31Å; Y1628-Y1630 PolarHBondContact O-N 2.97Å; Y1628-L1631 PolarHBondContact O-N 2.88Å; Y1628-K1632 VanDerWaalsContact O-CB 3.27Å; Y1628-K1632 WeakPolarHBondContact O-CB 3.18Å; Y1628-K1632 PolarHBondContact O-N 2.96Å
1629E73.3Confident66.3Low80 Ų80104.1 Ų104.137%0.37449%0.493SS..Hα-helixtrans-66.6-34179.2-164.966.2-163.900111.4L1625 K1632 N1633L1625-E1629 PolarHBondContact O-N 3.17Å; E1629-K1632 IonicContact OE1-NZ 3.71Å; E1629-K1632 PolarHBondContact OE1-NZ 2.73Å; E1629-K1632 WeakPolarHBondContact OE2-CD 3.44Å; E1629-K1632 IonicContact OE2-NZ 3.91Å; E1629-K1632 PolarHBondContact OE2-NZ 3.05Å; E1629-N1633 WeakPolarHBondContact O-CB 3.16Å; E1629-N1633 PolarHBondContact O-N 3.11Å; E1629-N1633 PolarHBondContact O-ND2 2.84Å
1630Y77Confident68.1Low126 Ų126101.2 Ų101.249%0.49447%0.474SS..Hα-helixtrans-65.1-46.4170.8-176.2-111.5000112.2V1626 Y1628 K1632 N1633 V1634 V1650 L1654V1626-Y1630 VanDerWaalsContact O-CB 3.3Å; V1626-Y1630 WeakPolarHBondContact O-CB 3.48Å; V1626-Y1630 PolarHBondContact O-N 3.32Å; Y1628-Y1630 VanDerWaalsContact C-N 3.31Å; Y1628-Y1630 PolarHBondContact O-N 2.97Å; Y1630-K1632 PolarHBondContact O-N 3.39Å; Y1630-N1633 PolarHBondContact O-N 3.45Å; Y1630-V1634 HydrophobicContact CD1-CG2 4.35Å; Y1630-V1634 HydrophobicContact CD2-CG2 4.4Å; Y1630-V1634 HydrophobicContact CE1-CG2 3.98Å; Y1630-V1634 HydrophobicContact CE2-CG2 4.03Å; Y1630-V1634 VanDerWaalsContact O-CG2 3.32Å; Y1630-V1634 WeakPolarHBondContact O-CG2 3.34Å; Y1630-V1634 PolarHBondContact O-N 3.31Å; Y1630-V1650 HydrophobicContact CE1-CG1 4.36Å; Y1630-L1654 HydrophobicContact CD1-CD1 3.87Å; Y1630-L1654 HydrophobicContact CD1-CD2 3.91Å; Y1630-L1654 HydrophobicContact CE1-CD1 3.81Å; Y1630-L1654 HydrophobicContact CE1-CD2 3.95Å; Y1630-L1654 HydrophobicContact CE1-CG 4.35Å
1631L80.6Confident69.5Low41 Ų4198 Ų9822%0.21547%0.468CS..Hα-helixtrans-62.1-41.8177.3176.760.7000112E1627 Y1628 V1634 L1635 L1651 L1654 M1655E1627-L1631 VanDerWaalsContact O-CB 3.28Å; E1627-L1631 WeakPolarHBondContact O-CB 3.3Å; E1627-L1631 PolarHBondContact O-N 3.23Å; Y1628-L1631 PolarHBondContact O-N 2.88Å; L1631-V1634 PolarHBondContact O-N 2.98Å; L1631-L1635 HydrophobicContact CD1-CD1 4.26Å; L1631-L1635 HydrophobicContact CD1-CG 4.27Å; L1631-L1635 HydrophobicContact CG-CD1 4.08Å; L1631-L1635 WeakPolarHBondContact O-CB 3.2Å; L1631-L1635 WeakPolarHBondContact O-CG 3.19Å; L1631-L1635 PolarHBondContact O-N 3.18Å; L1631-L1651 HydrophobicContact CD1-CD2 3.81Å; L1631-L1654 HydrophobicContact CB-CD1 4.4Å; L1631-L1654 HydrophobicContact CD1-CB 4.1Å; L1631-L1654 HydrophobicContact CD1-CD1 3.84Å; L1631-M1655 HydrophobicContact CD1-CG 4.38Å
1632K76.3Confident71.1Confident99 Ų9992.6 Ų92.643%0.4345%0.447SS..Hα-helixtrans-58.1-46.6174.2175.4-164.9176.8-163.30111.6Y1628 E1629 Y1630 L1635 F1636Y1628-K1632 VanDerWaalsContact O-CB 3.27Å; Y1628-K1632 WeakPolarHBondContact O-CB 3.18Å; Y1628-K1632 PolarHBondContact O-N 2.96Å; E1629-K1632 IonicContact OE1-NZ 3.71Å; E1629-K1632 PolarHBondContact OE1-NZ 2.73Å; E1629-K1632 WeakPolarHBondContact OE2-CD 3.44Å; E1629-K1632 IonicContact OE2-NZ 3.91Å; E1629-K1632 PolarHBondContact OE2-NZ 3.05Å; Y1630-K1632 PolarHBondContact O-N 3.39Å; K1632-L1635 PolarHBondContact O-N 3.45Å; K1632-F1636 WeakPolarHBondContact O-CB 3.05Å; K1632-F1636 PolarHBondContact O-N 3.38Å
1633N80Confident73.3Confident81 Ų8192.3 Ų92.343%0.43344%0.443SS..Hα-helixtrans-66.3-42.2176.9-68.7-21.5000112E1629 Y1630 L1635 F1636 E1637E1629-N1633 WeakPolarHBondContact O-CB 3.16Å; E1629-N1633 PolarHBondContact O-N 3.11Å; E1629-N1633 PolarHBondContact O-ND2 2.84Å; Y1630-N1633 PolarHBondContact O-N 3.45Å; N1633-L1635 VanDerWaalsContact C-N 3.34Å; N1633-L1635 PolarHBondContact O-N 3.28Å; N1633-F1636 PolarHBondContact O-N 2.87Å; N1633-E1637 PolarHBondContact O-N 3.48Å
1634V82.6Confident74.8Confident9 Ų987.7 Ų87.76%0.05542%0.422CS..Hα-helixtrans-64.8-36.4175.9174.10000111.9Y1630 L1631 Y1638 L1647 V1650 L1651 L1654Y1630-V1634 HydrophobicContact CD1-CG2 4.35Å; Y1630-V1634 HydrophobicContact CD2-CG2 4.4Å; Y1630-V1634 HydrophobicContact CE1-CG2 3.98Å; Y1630-V1634 HydrophobicContact CE2-CG2 4.03Å; Y1630-V1634 VanDerWaalsContact O-CG2 3.32Å; Y1630-V1634 WeakPolarHBondContact O-CG2 3.34Å; Y1630-V1634 PolarHBondContact O-N 3.31Å; L1631-V1634 PolarHBondContact O-N 2.98Å; V1634-Y1638 VanDerWaalsContact O-CB 3.32Å; V1634-Y1638 WeakPolarHBondContact O-CB 3.42Å; V1634-Y1638 PolarHBondContact O-N 3.38Å; V1634-L1647 HydrophobicContact CG1-CD2 4.37Å; V1634-V1650 HydrophobicContact CG1-CB 4.06Å; V1634-V1650 HydrophobicContact CG1-CG1 3.83Å; V1634-V1650 HydrophobicContact CG2-CG1 4.11Å; V1634-L1651 HydrophobicContact CB-CD2 4.34Å; V1634-L1651 HydrophobicContact CG1-CD2 3.63Å; V1634-L1651 HydrophobicContact CG1-CG 3.78Å; V1634-L1654 HydrophobicContact CB-CD1 4.33Å; V1634-L1654 HydrophobicContact CG1-CD1 4.34Å; V1634-L1654 HydrophobicContact CG2-CD1 4.28Å
1635L79.9Confident76.3Confident69 Ų6985.6 Ų85.636%0.36141%0.413SS..Hα-helixtrans-66.5-43.4172.5-79.2168.7000111.9L1631 K1632 N1633 Y1638 M1639 L1651L1631-L1635 HydrophobicContact CD1-CD1 4.26Å; L1631-L1635 HydrophobicContact CD1-CG 4.27Å; L1631-L1635 HydrophobicContact CG-CD1 4.08Å; L1631-L1635 WeakPolarHBondContact O-CB 3.2Å; L1631-L1635 WeakPolarHBondContact O-CG 3.19Å; L1631-L1635 PolarHBondContact O-N 3.18Å; K1632-L1635 PolarHBondContact O-N 3.45Å; N1633-L1635 VanDerWaalsContact C-N 3.34Å; N1633-L1635 PolarHBondContact O-N 3.28Å; L1635-Y1638 PolarHBondContact O-N 2.94Å; L1635-M1639 WeakPolarHBondContact O-CB 3.38Å; L1635-M1639 WeakPolarHBondContact O-CG 3.47Å; L1635-M1639 PolarHBondContact O-N 3.44Å; L1635-L1651 HydrophobicContact CD2-CD1 4.07Å; L1635-L1651 HydrophobicContact CD2-CD2 3.56Å; L1635-L1651 HydrophobicContact CD2-CG 4.48Å; L1635-L1651 HydrophobicContact CG-CD2 3.69Å
1636F78.4Confident78Confident114 Ų11483 Ų8350%0.540%0.401SS..Hα-helixtrans-61.4-48.5179.7-178.9-109.6000111.9K1632 N1633 Y1638 M1639 Q1640K1632-F1636 WeakPolarHBondContact O-CB 3.05Å; K1632-F1636 PolarHBondContact O-N 3.38Å; N1633-F1636 PolarHBondContact O-N 2.87Å; F1636-Y1638 VanDerWaalsContact C-N 3.34Å; F1636-Y1638 PolarHBondContact O-N 3.37Å; F1636-M1639 PolarHBondContact O-N 3.26Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; F1636-Q1640 PolarHBondContact O-N 3Å
1637E83.4Confident79.2Confident49 Ų4979.5 Ų79.523%0.22938%0.379CS..Hα-helixtrans-66.7-35.2177.8-66.2-54.5150.400112.7N1633 M1639 Q1640 G1641 R1642 L1647N1633-E1637 PolarHBondContact O-N 3.48Å; E1637-M1639 VanDerWaalsContact C-N 3.32Å; E1637-M1639 PolarHBondContact O-N 3Å; E1637-Q1640 PolarHBondContact O-N 3.2Å; E1637-G1641 PolarHBondContact O-N 2.89Å; E1637-R1642 PolarHBondContact O-N 2.94Å; E1637-R1642 VanDerWaalsContact O-N 3.16Å; E1637-R1642 WeakPolarHBondContact OE2-CD 3.41Å; E1637-R1642 IonicContact OE2-CZ 2.71Å; E1637-R1642 IonicContact OE2-NE 2.84Å; E1637-R1642 PolarHBondContact OE2-NE 3.45Å; E1637-L1647 VanDerWaalsContact C-CD1 3.48Å; E1637-L1647 HydrophobicContact CB-CD1 3.43Å; E1637-L1647 VanDerWaalsContact CB-CD1 3.43Å
1638Y84.8Confident80.3Confident47 Ų4775 Ų7518%0.18436%0.358CS..Hα-helixtrans-64.7-36.2172.6179.9-102.9000112.1V1634 L1635 F1636 G1641 T1644 L1647 L1651 E1669V1634-Y1638 VanDerWaalsContact O-CB 3.32Å; V1634-Y1638 WeakPolarHBondContact O-CB 3.42Å; V1634-Y1638 PolarHBondContact O-N 3.38Å; L1635-Y1638 PolarHBondContact O-N 2.94Å; F1636-Y1638 VanDerWaalsContact C-N 3.34Å; F1636-Y1638 PolarHBondContact O-N 3.37Å; Y1638-G1641 PolarHBondContact O-N 2.95Å; Y1638-T1644 HydrophobicContact CD2-CG2 4.45Å; Y1638-L1647 HydrophobicContact CD2-CB 4.06Å; Y1638-L1647 VanDerWaalsContact N-CD1 3.34Å; Y1638-L1651 HydrophobicContact CD1-CD1 3.69Å; Y1638-L1651 HydrophobicContact CD2-CD1 4.06Å; Y1638-L1651 HydrophobicContact CE1-CD1 4.22Å; Y1638-L1651 HydrophobicContact CG-CD1 3.59Å; Y1638-E1669 HydrophobicContact CE2-CG 4.11Å; Y1638-E1669 PolarHBondContact OH-OE1 3.33Å; Y1638-E1669 VanDerWaalsContact OH-OE1 3.06Å
1639M78Confident81.1Confident156 Ų15671.3 Ų71.377%0.76835%0.345SS*.Hα-helixtrans-73.2-31.5174.6-75178.759.800113.2L1635 F1636 E1637 G1641L1635-M1639 WeakPolarHBondContact O-CB 3.38Å; L1635-M1639 WeakPolarHBondContact O-CG 3.47Å; L1635-M1639 PolarHBondContact O-N 3.44Å; F1636-M1639 PolarHBondContact O-N 3.26Å; F1636-M1639 VanDerWaalsContact O-N 3.15Å; E1637-M1639 VanDerWaalsContact C-N 3.32Å; E1637-M1639 PolarHBondContact O-N 3Å; M1639-G1641 PolarHBondContact O-N 3.34Å
1640Q76.5Confident81.7Confident95 Ų9569.2 Ų69.244%0.44434%0.338SS..Hα-helixtrans-69.3-13.7169.4-71.2-160.722.500113.4F1636 E1637 R1642F1636-Q1640 PolarHBondContact O-N 3Å; E1637-Q1640 PolarHBondContact O-N 3.2Å; Q1640-R1642 HydrophobicContact CB-CG 4.39Å
1641G77.2Confident82.1Confident46 Ų4664 Ų6447%0.47432%0.318SS..THydrogen-bonded Turntrans85.39.5-178.900000114.5E1637 Y1638 M1639 T1644E1637-G1641 PolarHBondContact O-N 2.89Å; Y1638-G1641 PolarHBondContact O-N 2.95Å; M1639-G1641 PolarHBondContact O-N 3.34Å; G1641-T1644 WeakPolarHBondContact O-CG2 3.39Å
1642R75.6Confident82.5Confident87 Ų8762.2 Ų62.233%0.32831%0.309SS..THydrogen-bonded Turntrans-72.5139.6172.7-56.1-163.9-152.5-120.5-14.5110E1637 Q1640 T1644 L1647E1637-R1642 PolarHBondContact O-N 2.94Å; E1637-R1642 VanDerWaalsContact O-N 3.16Å; E1637-R1642 WeakPolarHBondContact OE2-CD 3.41Å; E1637-R1642 IonicContact OE2-CZ 2.71Å; E1637-R1642 IonicContact OE2-NE 2.84Å; E1637-R1642 PolarHBondContact OE2-NE 3.45Å; Q1640-R1642 HydrophobicContact CB-CG 4.39Å; R1642-T1644 PolarHBondContact O-N 3.2Å; R1642-L1647 VanDerWaalsContact O-CD1 3.28Å; R1642-L1647 WeakPolarHBondContact O-CD1 3.33Å
1643E82.2Confident82.8Confident132 Ų13261.7 Ų61.762%0.61732%0.318SS*.THydrogen-bonded Turntrans33.446177.3-67-157.4-162.400115.1Q1645 T1646 L1647E1643-Q1645 PolarHBondContact O-N 3.25Å; E1643-T1646 CarbonylContact O-C 3.56Å; E1643-T1646 WeakPolarHBondContact O-CA 3.48Å; E1643-T1646 PolarHBondContact O-N 3.31Å; E1643-T1646 WeakPolarHBondContact OE2-CB 3.45Å; E1643-T1646 WeakPolarHBondContact OE2-CG2 3.37Å; E1643-T1646 PolarHBondContact OE2-OG1 3.44Å; E1643-L1647 HydrophobicContact CB-CG 4.36Å; E1643-L1647 PolarHBondContact O-N 3.23Å
1644T82.7Confident82.8Confident17 Ų1760.5 Ų60.510%0.10431%0.312CS..Hα-helixtrans-59.8-31.4-166.665.20000112.7Y1638 G1641 R1642 S1648 E1669Y1638-T1644 HydrophobicContact CD2-CG2 4.45Å; G1641-T1644 WeakPolarHBondContact O-CG2 3.39Å; R1642-T1644 PolarHBondContact O-N 3.2Å; T1644-S1648 WeakPolarHBondContact O-CB 3.18Å; T1644-S1648 PolarHBondContact O-N 3.49Å; T1644-S1648 PolarHBondContact O-OG 3.39Å; T1644-E1669 WeakPolarHBondContact CB-OE2 3.49Å; T1644-E1669 PolarHBondContact OG1-OE2 2.89Å
1645Q84.2Confident82.8Confident84 Ų8465.1 Ų65.139%0.39333%0.334SS..Hα-helixtrans-73.2-19.8175-150.3-143.953.600113.7E1643 K1649 D1670E1643-Q1645 PolarHBondContact O-N 3.25Å; Q1645-K1649 VanDerWaalsContact O-CD 3.3Å; Q1645-K1649 WeakPolarHBondContact O-CD 3.5Å; Q1645-K1649 WeakPolarHBondContact O-CE 3.42Å; Q1645-K1649 WeakPolarHBondContact O-CG 3.38Å; Q1645-K1649 PolarHBondContact O-NZ 3.45Å; Q1645-D1670 PolarHBondContact NE2-OD1 2.94Å
1646T86.4Confident83Confident57 Ų5771.8 Ų71.835%0.3535%0.354SS..Hα-helixtrans-86.9-52.7169-51.90000110.1E1643 S1648 K1649 V1650E1643-T1646 CarbonylContact O-C 3.56Å; E1643-T1646 WeakPolarHBondContact O-CA 3.48Å; E1643-T1646 PolarHBondContact O-N 3.31Å; E1643-T1646 WeakPolarHBondContact OE2-CB 3.45Å; E1643-T1646 WeakPolarHBondContact OE2-CG2 3.37Å; E1643-T1646 PolarHBondContact OE2-OG1 3.44Å; T1646-S1648 VanDerWaalsContact C-N 3.31Å; T1646-S1648 PolarHBondContact O-N 3.38Å; T1646-K1649 WeakPolarHBondContact O-CA 3.24Å; T1646-K1649 VanDerWaalsContact O-CB 3.25Å; T1646-K1649 WeakPolarHBondContact O-CB 3.22Å; T1646-K1649 PolarHBondContact O-N 2.86Å; T1646-V1650 PolarHBondContact O-N 3.01Å; T1646-V1650 VanDerWaalsContact O-N 3.16Å
1647L88.7Confident83.4Confident26 Ų2669.6 Ų69.614%0.13634%0.344CS..Hα-helixtrans-64.8-33.5-174.6-61.3-177.3000112.3V1634 E1637 Y1638 R1642 E1643 K1649 V1650 L1651V1634-L1647 HydrophobicContact CG1-CD2 4.37Å; E1637-L1647 VanDerWaalsContact C-CD1 3.48Å; E1637-L1647 HydrophobicContact CB-CD1 3.43Å; E1637-L1647 VanDerWaalsContact CB-CD1 3.43Å; Y1638-L1647 HydrophobicContact CD2-CB 4.06Å; Y1638-L1647 VanDerWaalsContact N-CD1 3.34Å; R1642-L1647 VanDerWaalsContact O-CD1 3.28Å; R1642-L1647 WeakPolarHBondContact O-CD1 3.33Å; E1643-L1647 HydrophobicContact CB-CG 4.36Å; E1643-L1647 PolarHBondContact O-N 3.23Å; L1647-K1649 VanDerWaalsContact C-N 3.28Å; L1647-K1649 PolarHBondContact O-N 3.33Å; L1647-V1650 CarbonylContact O-C 3.14Å; L1647-V1650 PolarHBondContact O-N 3.41Å; L1647-V1650 VanDerWaalsContact O-N 3.09Å; L1647-L1651 WeakPolarHBondContact O-CB 3.28Å; L1647-L1651 WeakPolarHBondContact O-CG 3.43Å; L1647-L1651 PolarHBondContact O-N 3.48Å
1648S88.6Confident83.5Confident0 Ų071.4 Ų71.40%036%0.356CS..Hα-helixtrans-58.6-35.716949.40000113.3T1644 T1646 C1652 L1666T1644-S1648 WeakPolarHBondContact O-CB 3.18Å; T1644-S1648 PolarHBondContact O-N 3.49Å; T1644-S1648 PolarHBondContact O-OG 3.39Å; T1646-S1648 VanDerWaalsContact C-N 3.31Å; T1646-S1648 PolarHBondContact O-N 3.38Å; S1648-C1652 WeakPolarHBondContact O-CB 3.43Å; S1648-C1652 PolarHBondContact O-N 2.86Å; S1648-C1652 PolarHBondContact O-SG 2.91Å; S1648-L1666 WeakPolarHBondContact OG-CD2 3.42Å
1649K87.3Confident83.3Confident82 Ų8272.6 Ų72.636%0.35738%0.376SS..Hα-helixtrans-67.2-39.9173.7-56.4167.6-176.1124.90110.8Q1645 T1646 L1647 S1653 L1666Q1645-K1649 VanDerWaalsContact O-CD 3.3Å; Q1645-K1649 WeakPolarHBondContact O-CD 3.5Å; Q1645-K1649 WeakPolarHBondContact O-CE 3.42Å; Q1645-K1649 WeakPolarHBondContact O-CG 3.38Å; Q1645-K1649 PolarHBondContact O-NZ 3.45Å; T1646-K1649 WeakPolarHBondContact O-CA 3.24Å; T1646-K1649 VanDerWaalsContact O-CB 3.25Å; T1646-K1649 WeakPolarHBondContact O-CB 3.22Å; T1646-K1649 PolarHBondContact O-N 2.86Å; L1647-K1649 VanDerWaalsContact C-N 3.28Å; L1647-K1649 PolarHBondContact O-N 3.33Å; K1649-S1653 WeakPolarHBondContact O-CB 3.12Å; K1649-S1653 PolarHBondContact O-N 2.93Å; K1649-S1653 VanDerWaalsContact O-N 3.11Å; K1649-S1653 PolarHBondContact O-OG 3.35Å; K1649-L1666 HydrophobicContact CD-CD2 4.49Å; K1649-L1666 HydrophobicContact CG-CD1 4.23Å; K1649-L1666 HydrophobicContact CG-CD2 3.48Å; K1649-L1666 VanDerWaalsContact CG-CD2 3.48Å; K1649-L1666 HydrophobicContact CG-CG 4.49Å
1650V85.1Confident83.5Confident37 Ų3769.5 Ų69.522%0.22436%0.362CS..Hα-helixtrans-67.1-48.7177-175.80000110.8Y1630 V1634 T1646 L1647 C1652 S1653 L1654Y1630-V1650 HydrophobicContact CE1-CG1 4.36Å; V1634-V1650 HydrophobicContact CG1-CB 4.06Å; V1634-V1650 HydrophobicContact CG1-CG1 3.83Å; V1634-V1650 HydrophobicContact CG2-CG1 4.11Å; T1646-V1650 PolarHBondContact O-N 3.01Å; T1646-V1650 VanDerWaalsContact O-N 3.16Å; L1647-V1650 CarbonylContact O-C 3.14Å; L1647-V1650 PolarHBondContact O-N 3.41Å; L1647-V1650 VanDerWaalsContact O-N 3.09Å; V1650-C1652 PolarHBondContact O-N 3.36Å; V1650-S1653 CarbonylContact O-C 3.6Å; V1650-S1653 WeakPolarHBondContact O-CA 3.25Å; V1650-S1653 WeakPolarHBondContact O-CB 3.38Å; V1650-S1653 PolarHBondContact O-N 2.96Å; V1650-L1654 HydrophobicContact CG1-CD1 3.91Å; V1650-L1654 HydrophobicContact CG1-CG 4.23Å; V1650-L1654 WeakPolarHBondContact O-CG 3.36Å; V1650-L1654 PolarHBondContact O-N 3.1Å
1651L86.4Confident83.8Confident16 Ų1669 Ų698%0.08436%0.36CS..Hα-helixtrans-57.1-47.3175.3-71.4173.9000112.1L1631 V1634 L1635 Y1638 L1647 S1653 L1654 M1655L1631-L1651 HydrophobicContact CD1-CD2 3.81Å; V1634-L1651 HydrophobicContact CB-CD2 4.34Å; V1634-L1651 HydrophobicContact CG1-CD2 3.63Å; V1634-L1651 HydrophobicContact CG1-CG 3.78Å; L1635-L1651 HydrophobicContact CD2-CD1 4.07Å; L1635-L1651 HydrophobicContact CD2-CD2 3.56Å; L1635-L1651 HydrophobicContact CD2-CG 4.48Å; L1635-L1651 HydrophobicContact CG-CD2 3.69Å; Y1638-L1651 HydrophobicContact CD1-CD1 3.69Å; Y1638-L1651 HydrophobicContact CD2-CD1 4.06Å; Y1638-L1651 HydrophobicContact CE1-CD1 4.22Å; Y1638-L1651 HydrophobicContact CG-CD1 3.59Å; L1647-L1651 WeakPolarHBondContact O-CB 3.28Å; L1647-L1651 WeakPolarHBondContact O-CG 3.43Å; L1647-L1651 PolarHBondContact O-N 3.48Å; L1651-S1653 PolarHBondContact O-N 2.82Å; L1651-L1654 PolarHBondContact O-N 2.92Å; L1651-M1655 WeakPolarHBondContact O-CB 3.32Å; L1651-M1655 WeakPolarHBondContact O-CG 3.32Å; L1651-M1655 PolarHBondContact O-N 2.88Å
1652C88Confident84.2Confident3 Ų368.4 Ų68.42%0.0235%0.347CS..Hα-helixtrans-61-30.9175.5-68.60000112.4S1648 V1650 R1656 F1657 T1662S1648-C1652 WeakPolarHBondContact O-CB 3.43Å; S1648-C1652 PolarHBondContact O-N 2.86Å; S1648-C1652 PolarHBondContact O-SG 2.91Å; V1650-C1652 PolarHBondContact O-N 3.36Å; C1652-R1656 PolarHBondContact O-N 2.79Å; C1652-F1657 HydrophobicContact CB-CB 4.09Å; C1652-F1657 HydrophobicContact CB-CD2 4.18Å; C1652-F1657 HydrophobicContact CB-CG 4.42Å; C1652-F1657 WeakPolarHBondContact O-CB 3.43Å; C1652-F1657 PolarHBondContact O-N 2.61Å; C1652-T1662 HydrophobicContact CB-CG2 3.74Å; C1652-T1662 WeakPolarHBondContact CB-OG1 3.39Å
1653S83.3Confident84.6Confident88 Ų8870.8 Ų70.862%0.61536%0.356SS*.Hα-helixtrans-77.1-47177.5-560000112K1649 V1650 L1651 R1656K1649-S1653 WeakPolarHBondContact O-CB 3.12Å; K1649-S1653 PolarHBondContact O-N 2.93Å; K1649-S1653 VanDerWaalsContact O-N 3.11Å; K1649-S1653 PolarHBondContact O-OG 3.35Å; V1650-S1653 CarbonylContact O-C 3.6Å; V1650-S1653 WeakPolarHBondContact O-CA 3.25Å; V1650-S1653 WeakPolarHBondContact O-CB 3.38Å; V1650-S1653 PolarHBondContact O-N 2.96Å; L1651-S1653 PolarHBondContact O-N 2.82Å; S1653-R1656 PolarHBondContact O-N 3.27Å
1654L79.9Confident84.9Confident57 Ų5772.1 Ų72.130%0.29836%0.36SS..Hα-helixtrans-62.1-49.2177.6-72.3173.1000111.8Y1630 L1631 V1634 V1650 L1651 R1656Y1630-L1654 HydrophobicContact CD1-CD1 3.87Å; Y1630-L1654 HydrophobicContact CD1-CD2 3.91Å; Y1630-L1654 HydrophobicContact CE1-CD1 3.81Å; Y1630-L1654 HydrophobicContact CE1-CD2 3.95Å; Y1630-L1654 HydrophobicContact CE1-CG 4.35Å; L1631-L1654 HydrophobicContact CB-CD1 4.4Å; L1631-L1654 HydrophobicContact CD1-CB 4.1Å; L1631-L1654 HydrophobicContact CD1-CD1 3.84Å; V1634-L1654 HydrophobicContact CB-CD1 4.33Å; V1634-L1654 HydrophobicContact CG1-CD1 4.34Å; V1634-L1654 HydrophobicContact CG2-CD1 4.28Å; V1650-L1654 HydrophobicContact CG1-CD1 3.91Å; V1650-L1654 HydrophobicContact CG1-CG 4.23Å; V1650-L1654 WeakPolarHBondContact O-CG 3.36Å; V1650-L1654 PolarHBondContact O-N 3.1Å; L1651-L1654 PolarHBondContact O-N 2.92Å; L1654-R1656 PolarHBondContact O-N 3.42Å; L1654-R1656 VanDerWaalsContact O-N 3.17Å
1655M81.4Confident85Confident106 Ų10673.2 Ų73.252%0.52237%0.366SS..THydrogen-bonded Turntrans-76.45.4177.1-58.9-159.278.800113.5L1631 L1651 F1657L1631-M1655 HydrophobicContact CD1-CG 4.38Å; L1651-M1655 WeakPolarHBondContact O-CB 3.32Å; L1651-M1655 WeakPolarHBondContact O-CG 3.32Å; L1651-M1655 PolarHBondContact O-N 2.88Å; M1655-F1657 HydrophobicContact CB-CD1 3.64Å; M1655-F1657 HydrophobicContact CB-CE1 3.49Å; M1655-F1657 VanDerWaalsContact CB-CE1 3.49Å; M1655-F1657 HydrophobicContact CB-CZ 4.3Å; M1655-F1657 HydrophobicContact CE-CE1 4.47Å; M1655-F1657 HydrophobicContact CG-CE1 4.32Å; M1655-F1657 PolarHBondContact O-N 3.29Å; M1655-F1657 HydrophobicContact SD-CE1 3.98Å; M1655-F1657 HydrophobicContact SD-CZ 4.09Å
1656R84.4Confident85.2Confident208 Ų20871.3 Ų71.379%0.78536%0.358SS*.THydrogen-bonded Turntrans52.338.4177.2-52.8-178.4-174.2176.23.3113.2C1652 S1653 L1654C1652-R1656 PolarHBondContact O-N 2.79Å; S1653-R1656 PolarHBondContact O-N 3.27Å; L1654-R1656 PolarHBondContact O-N 3.42Å; L1654-R1656 VanDerWaalsContact O-N 3.17Å
1657F87.4Confident85.2Confident68 Ų6871.9 Ų71.930%0.29836%0.362SS..  trans-60.9139.1178.8-80.111.7000111C1652 M1655 Q1661 T1662 V1665C1652-F1657 HydrophobicContact CB-CB 4.09Å; C1652-F1657 HydrophobicContact CB-CD2 4.18Å; C1652-F1657 HydrophobicContact CB-CG 4.42Å; C1652-F1657 WeakPolarHBondContact O-CB 3.43Å; C1652-F1657 PolarHBondContact O-N 2.61Å; M1655-F1657 HydrophobicContact CB-CD1 3.64Å; M1655-F1657 HydrophobicContact CB-CE1 3.49Å; M1655-F1657 VanDerWaalsContact CB-CE1 3.49Å; M1655-F1657 HydrophobicContact CB-CZ 4.3Å; M1655-F1657 HydrophobicContact CE-CE1 4.47Å; M1655-F1657 HydrophobicContact CG-CE1 4.32Å; M1655-F1657 PolarHBondContact O-N 3.29Å; M1655-F1657 HydrophobicContact SD-CE1 3.98Å; M1655-F1657 HydrophobicContact SD-CZ 4.09Å; F1657-Q1661 HydrophobicContact CB-CB 3.9Å; F1657-Q1661 HydrophobicContact CD2-CB 3.96Å; F1657-Q1661 HydrophobicContact CG-CB 4.06Å; F1657-T1662 PolarHBondContact O-OG1 3.39Å; F1657-V1665 HydrophobicContact CD2-CG2 4.31Å; F1657-V1665 HydrophobicContact CE2-CG2 4.08Å
1658N84.8Confident85.2Confident87 Ų8777.4 Ų77.447%0.46538%0.382SS..  trans-69.6161.7175.773.948.2000111.3D1660 Q1661 T1662N1658-D1660 PolarHBondContact O-N 3.32Å; N1658-D1660 WeakPolarHBondContact OD1-CB 3.26Å; N1658-D1660 PolarHBondContact OD1-N 2.74Å; N1658-Q1661 PolarHBondContact ND2-OE1 3.49Å; N1658-Q1661 WeakPolarHBondContact O-CB 3.47Å; N1658-Q1661 PolarHBondContact O-N 3.41Å; N1658-Q1661 PolarHBondContact OD1-N 3.36Å; N1658-T1662 PolarHBondContact O-N 3.26Å; N1658-T1662 PolarHBondContact O-OG1 3.01Å
1659A82.3Confident85.1Confident73 Ų7377.5 Ų77.560%0.60338%0.383SS*.Hα-helixtrans-59.4-21.1-173.500000114.9R1663A1659-R1663 WeakPolarHBondContact O-CB 3.29Å; A1659-R1663 PolarHBondContact O-N 3.2Å; A1659-R1663 PolarHBondContact O-NH2 3.35Å
1660D81.2Confident84.9Confident91 Ų9176.3 Ų76.349%0.48738%0.38SS..Hα-helixtrans-85.4-37.7175.2-71.8-16.3000112.3N1658 R1663 K1664N1658-D1660 PolarHBondContact O-N 3.32Å; N1658-D1660 WeakPolarHBondContact OD1-CB 3.26Å; N1658-D1660 PolarHBondContact OD1-N 2.74Å; D1660-R1663 IonicContact OD1-CZ 2.66Å; D1660-R1663 IonicContact OD1-NH1 3.58Å; D1660-R1663 PolarHBondContact OD1-NH1 3.4Å; D1660-R1663 IonicContact OD1-NH2 2.65Å; D1660-R1663 PolarHBondContact OD1-NH2 2.79Å; D1660-K1664 WeakPolarHBondContact O-CG 3.36Å; D1660-K1664 PolarHBondContact O-N 3.08Å; D1660-K1664 VanDerWaalsContact O-N 3.09Å
1661Q83.8Confident84.8Confident84 Ų8480.2 Ų80.239%0.39340%0.396SS..Hα-helixtrans-61.4-52.3170.8-72169.5-54.100110.4F1657 N1658 R1663 K1664 V1665F1657-Q1661 HydrophobicContact CB-CB 3.9Å; F1657-Q1661 HydrophobicContact CD2-CB 3.96Å; F1657-Q1661 HydrophobicContact CG-CB 4.06Å; N1658-Q1661 PolarHBondContact ND2-OE1 3.49Å; N1658-Q1661 WeakPolarHBondContact O-CB 3.47Å; N1658-Q1661 PolarHBondContact O-N 3.41Å; N1658-Q1661 PolarHBondContact OD1-N 3.36Å; Q1661-R1663 VanDerWaalsContact C-N 3.28Å; Q1661-R1663 PolarHBondContact O-N 2.91Å; Q1661-K1664 WeakPolarHBondContact O-CB 3.43Å; Q1661-K1664 PolarHBondContact O-N 3.27Å; Q1661-V1665 PolarHBondContact O-N 3.39Å
1662T85.2Confident84.6Confident34 Ų3483.5 Ų83.521%0.20941%0.41CS..Hα-helixtrans-55.5-42.8177.9-560000111.7C1652 F1657 N1658 K1664 V1665 L1666C1652-T1662 HydrophobicContact CB-CG2 3.74Å; C1652-T1662 WeakPolarHBondContact CB-OG1 3.39Å; F1657-T1662 PolarHBondContact O-OG1 3.39Å; N1658-T1662 PolarHBondContact O-N 3.26Å; N1658-T1662 PolarHBondContact O-OG1 3.01Å; T1662-K1664 PolarHBondContact O-N 3.33Å; T1662-V1665 PolarHBondContact O-N 3.47Å; T1662-L1666 HydrophobicContact CG2-CD1 3.95Å; T1662-L1666 VanDerWaalsContact O-CG 3.26Å; T1662-L1666 WeakPolarHBondContact O-CG 3.38Å; T1662-L1666 PolarHBondContact O-N 3.42Å; T1662-L1666 VanDerWaalsContact O-N 3.08Å
1663R84.5Confident83.9Confident136 Ų13685.7 Ų85.751%0.51343%0.425SS..Hα-helixtrans-64.4-40.6176.9-161.8-175-44.7107.716.4112.5A1659 D1660 Q1661 T1667A1659-R1663 WeakPolarHBondContact O-CB 3.29Å; A1659-R1663 PolarHBondContact O-N 3.2Å; A1659-R1663 PolarHBondContact O-NH2 3.35Å; D1660-R1663 IonicContact OD1-CZ 2.66Å; D1660-R1663 IonicContact OD1-NH1 3.58Å; D1660-R1663 PolarHBondContact OD1-NH1 3.4Å; D1660-R1663 IonicContact OD1-NH2 2.65Å; D1660-R1663 PolarHBondContact OD1-NH2 2.79Å; Q1661-R1663 VanDerWaalsContact C-N 3.28Å; Q1661-R1663 PolarHBondContact O-N 2.91Å; R1663-T1667 WeakPolarHBondContact O-CB 3.32Å; R1663-T1667 PolarHBondContact O-N 3.31Å; R1663-T1667 PolarHBondContact O-OG1 3.4Å
1664K87Confident83.4Confident161 Ų16187 Ų8770%0.742%0.419SS*.Hα-helixtrans-62.5-47.9177.3-75.2174.5179.7-177.50111.9D1660 Q1661 T1662 T1667 Y1668D1660-K1664 WeakPolarHBondContact O-CG 3.36Å; D1660-K1664 PolarHBondContact O-N 3.08Å; D1660-K1664 VanDerWaalsContact O-N 3.09Å; Q1661-K1664 WeakPolarHBondContact O-CB 3.43Å; Q1661-K1664 PolarHBondContact O-N 3.27Å; T1662-K1664 PolarHBondContact O-N 3.33Å; K1664-T1667 PolarHBondContact O-N 3.32Å; K1664-Y1668 PolarHBondContact O-N 3Å
1665V84.5Confident83Confident40 Ų4088.9 Ų88.924%0.24243%0.433CS..Hα-helixtrans-60.4-48.4179.1179.50000110.8F1657 Q1661 T1662 T1667 Y1668 E1669F1657-V1665 HydrophobicContact CD2-CG2 4.31Å; F1657-V1665 HydrophobicContact CE2-CG2 4.08Å; Q1661-V1665 PolarHBondContact O-N 3.39Å; T1662-V1665 PolarHBondContact O-N 3.47Å; V1665-T1667 VanDerWaalsContact C-N 3.34Å; V1665-T1667 PolarHBondContact O-N 3.28Å; V1665-Y1668 WeakPolarHBondContact O-CB 3.49Å; V1665-Y1668 PolarHBondContact O-N 3.28Å; V1665-E1669 PolarHBondContact O-N 3.44Å; V1665-E1669 VanDerWaalsContact O-N 3.12Å
1666L88.3Confident82.1Confident43 Ų4392.3 Ų92.323%0.22544%0.441CS..Hα-helixtrans-64-38.4179.5-64.8173.4000112.4S1648 K1649 T1662 Y1668 D1670S1648-L1666 WeakPolarHBondContact OG-CD2 3.42Å; K1649-L1666 HydrophobicContact CD-CD2 4.49Å; K1649-L1666 HydrophobicContact CG-CD1 4.23Å; K1649-L1666 HydrophobicContact CG-CD2 3.48Å; K1649-L1666 VanDerWaalsContact CG-CD2 3.48Å; K1649-L1666 HydrophobicContact CG-CG 4.49Å; T1662-L1666 HydrophobicContact CG2-CD1 3.95Å; T1662-L1666 VanDerWaalsContact O-CG 3.26Å; T1662-L1666 WeakPolarHBondContact O-CG 3.38Å; T1662-L1666 PolarHBondContact O-N 3.42Å; T1662-L1666 VanDerWaalsContact O-N 3.08Å; L1666-Y1668 VanDerWaalsContact C-N 3.29Å; L1666-Y1668 PolarHBondContact O-N 3.5Å; L1666-D1670 WeakPolarHBondContact O-CB 3.3Å; L1666-D1670 PolarHBondContact O-N 3.38Å
1667T86.3Confident81Confident70 Ų7086.7 Ų86.743%0.42943%0.43SS..Hα-helixtrans-65.5-33176.6-510000112R1663 K1664 V1665 Q1671R1663-T1667 WeakPolarHBondContact O-CB 3.32Å; R1663-T1667 PolarHBondContact O-N 3.31Å; R1663-T1667 PolarHBondContact O-OG1 3.4Å; K1664-T1667 PolarHBondContact O-N 3.32Å; V1665-T1667 VanDerWaalsContact C-N 3.34Å; V1665-T1667 PolarHBondContact O-N 3.28Å; T1667-Q1671 WeakPolarHBondContact O-CG 2.82Å; T1667-Q1671 PolarHBondContact O-N 3.49Å
1668Y88.7Confident79.8Confident142 Ų14288.4 Ų88.456%0.55744%0.441SS*.Hα-helixtrans-70.6-47.8177.4177.5-98.9000112.2K1664 V1665 L1666 D1670 Q1671 K1672K1664-Y1668 PolarHBondContact O-N 3Å; V1665-Y1668 WeakPolarHBondContact O-CB 3.49Å; V1665-Y1668 PolarHBondContact O-N 3.28Å; L1666-Y1668 VanDerWaalsContact C-N 3.29Å; L1666-Y1668 PolarHBondContact O-N 3.5Å; Y1668-D1670 VanDerWaalsContact C-N 3.3Å; Y1668-D1670 PolarHBondContact O-N 2.91Å; Y1668-Q1671 WeakPolarHBondContact O-CB 3.45Å; Y1668-Q1671 PolarHBondContact O-N 3.16Å; Y1668-Q1671 VanDerWaalsContact O-N 3.07Å; Y1668-K1672 HydrophobicContact CE1-CD 4.27Å; Y1668-K1672 WeakPolarHBondContact O-CB 3.36Å; Y1668-K1672 PolarHBondContact O-N 3.08Å
1669E87.7Confident78.3Confident2 Ų291.9 Ų91.91%0.00945%0.448CS..Hα-helixtrans-62.9-37.8174.7-74.5-60.8135.700111.6Y1638 T1644 V1665 Q1671 K1672 S1673Y1638-E1669 HydrophobicContact CE2-CG 4.11Å; Y1638-E1669 PolarHBondContact OH-OE1 3.33Å; Y1638-E1669 VanDerWaalsContact OH-OE1 3.06Å; T1644-E1669 WeakPolarHBondContact CB-OE2 3.49Å; T1644-E1669 PolarHBondContact OG1-OE2 2.89Å; V1665-E1669 PolarHBondContact O-N 3.44Å; V1665-E1669 VanDerWaalsContact O-N 3.12Å; E1669-Q1671 PolarHBondContact O-N 3.23Å; E1669-K1672 PolarHBondContact O-N 3.09Å; E1669-K1672 WeakPolarHBondContact OE1-CD 3.33Å; E1669-K1672 IonicContact OE1-NZ 3.22Å; E1669-K1672 PolarHBondContact OE1-NZ 3.47Å; E1669-K1672 IonicContact OE2-NZ 2.85Å; E1669-K1672 PolarHBondContact OE2-NZ 3.34Å; E1669-S1673 WeakPolarHBondContact O-CB 3.42Å; E1669-S1673 PolarHBondContact O-N 3.13Å; E1669-S1673 PolarHBondContact O-OG 2.78Å; E1669-S1673 VanDerWaalsContact O-OG 3.09Å
1670D83.2Confident76.7Confident57 Ų5791.9 Ų91.931%0.30544%0.44SS..Hα-helixtrans-61-26.4173.2-116.559.6000114.1Q1645 L1666 Y1668 K1674Q1645-D1670 PolarHBondContact NE2-OD1 2.94Å; L1666-D1670 WeakPolarHBondContact O-CB 3.3Å; L1666-D1670 PolarHBondContact O-N 3.38Å; Y1668-D1670 VanDerWaalsContact C-N 3.3Å; Y1668-D1670 PolarHBondContact O-N 2.91Å; D1670-K1674 VanDerWaalsContact O-CD 3.28Å; D1670-K1674 WeakPolarHBondContact O-CD 3.37Å; D1670-K1674 WeakPolarHBondContact O-CE 3.47Å; D1670-K1674 VanDerWaalsContact O-CG 3.24Å; D1670-K1674 WeakPolarHBondContact O-CG 3.4Å; D1670-K1674 PolarHBondContact O-NZ 3.21Å; D1670-K1674 IonicContact OD2-NZ 2.84Å; D1670-K1674 PolarHBondContact OD2-NZ 3.27Å
1671Q83.5Confident74.8Confident118 Ų11891.2 Ų91.255%0.55145%0.447SS*.Hα-helixtrans-83.9-47.8174.4-74.5173.8-2.700110.7T1667 Y1668 E1669 S1673 K1674 T1675T1667-Q1671 WeakPolarHBondContact O-CG 2.82Å; T1667-Q1671 PolarHBondContact O-N 3.49Å; Y1668-Q1671 WeakPolarHBondContact O-CB 3.45Å; Y1668-Q1671 PolarHBondContact O-N 3.16Å; Y1668-Q1671 VanDerWaalsContact O-N 3.07Å; E1669-Q1671 PolarHBondContact O-N 3.23Å; Q1671-S1673 PolarHBondContact O-N 3.39Å; Q1671-K1674 PolarHBondContact O-N 2.73Å; Q1671-T1675 PolarHBondContact O-N 3.27Å; Q1671-T1675 PolarHBondContact O-OG1 3.33Å; Q1671-T1675 VanDerWaalsContact O-OG1 3.07Å
1672K80.9Confident72.9Confident86 Ų8694.9 Ų94.937%0.37447%0.466SS..Hα-helixtrans-55.4-48.1177.5174.5178.5155.3-136.40112.2Y1668 E1669 K1674 T1675 W1676Y1668-K1672 HydrophobicContact CE1-CD 4.27Å; Y1668-K1672 WeakPolarHBondContact O-CB 3.36Å; Y1668-K1672 PolarHBondContact O-N 3.08Å; E1669-K1672 PolarHBondContact O-N 3.09Å; E1669-K1672 WeakPolarHBondContact OE1-CD 3.33Å; E1669-K1672 IonicContact OE1-NZ 3.22Å; E1669-K1672 PolarHBondContact OE1-NZ 3.47Å; E1669-K1672 IonicContact OE2-NZ 2.85Å; E1669-K1672 PolarHBondContact OE2-NZ 3.34Å; K1672-K1674 PolarHBondContact O-N 3.19Å; K1672-T1675 PolarHBondContact O-N 3.05Å; K1672-W1676 PolarHBondContact O-N 3.37Å
1673S72.6Confident70.4Confident49 Ų49101.2 Ų101.234%0.34349%0.493SS..Hα-helixtrans-59-46.1176.6-61.60000111.8E1669 Q1671 T1675 W1676 T1677E1669-S1673 WeakPolarHBondContact O-CB 3.42Å; E1669-S1673 PolarHBondContact O-N 3.13Å; E1669-S1673 PolarHBondContact O-OG 2.78Å; E1669-S1673 VanDerWaalsContact O-OG 3.09Å; Q1671-S1673 PolarHBondContact O-N 3.39Å; S1673-T1675 PolarHBondContact O-N 3.26Å; S1673-W1676 PolarHBondContact O-N 3.1Å; S1673-T1677 PolarHBondContact O-N 3.15Å; S1673-T1677 PolarHBondContact O-OG1 3.5Å
1674K74.3Confident69.7Low114 Ų11499.5 Ų99.550%0.49649%0.492SS..Hα-helixtrans-63.1-40.9177.5-68.9175.8-168.9106.80112D1670 Q1671 K1672 W1676 T1677 I1678D1670-K1674 VanDerWaalsContact O-CD 3.28Å; D1670-K1674 WeakPolarHBondContact O-CD 3.37Å; D1670-K1674 WeakPolarHBondContact O-CE 3.47Å; D1670-K1674 VanDerWaalsContact O-CG 3.24Å; D1670-K1674 WeakPolarHBondContact O-CG 3.4Å; D1670-K1674 PolarHBondContact O-NZ 3.21Å; D1670-K1674 IonicContact OD2-NZ 2.84Å; D1670-K1674 PolarHBondContact OD2-NZ 3.27Å; Q1671-K1674 PolarHBondContact O-N 2.73Å; K1672-K1674 PolarHBondContact O-N 3.19Å; K1674-W1676 VanDerWaalsContact C-N 3.34Å; K1674-T1677 PolarHBondContact O-N 3.28Å; K1674-I1678 WeakPolarHBondContact O-CB 3.26Å; K1674-I1678 WeakPolarHBondContact O-CD1 3.48Å; K1674-I1678 VanDerWaalsContact O-CG1 3.23Å; K1674-I1678 WeakPolarHBondContact O-CG1 3.3Å; K1674-I1678 PolarHBondContact O-N 3.43Å
1675T71.4Confident68.7Low97 Ų9796.2 Ų96.260%0.59548%0.481SS*.Hα-helixtrans-64.1-38.6175.9-57.10000111.8Q1671 K1672 S1673 R1679Q1671-T1675 PolarHBondContact O-N 3.27Å; Q1671-T1675 PolarHBondContact O-OG1 3.33Å; Q1671-T1675 VanDerWaalsContact O-OG1 3.07Å; K1672-T1675 PolarHBondContact O-N 3.05Å; S1673-T1675 PolarHBondContact O-N 3.26Å; T1675-R1679 PolarHBondContact O-N 3.34Å; T1675-R1679 VanDerWaalsContact O-N 3.14Å
1676W62.6Low67.9Low179 Ų17999.3 Ų99.368%0.67850%0.495SS*.Hα-helixtrans-66.9-48.9175.1-168.273.7000111.7K1672 S1673 K1674 I1678 R1679 T1680K1672-W1676 PolarHBondContact O-N 3.37Å; S1673-W1676 PolarHBondContact O-N 3.1Å; K1674-W1676 VanDerWaalsContact C-N 3.34Å; W1676-I1678 VanDerWaalsContact C-N 3.28Å; W1676-I1678 PolarHBondContact O-N 3.14Å; W1676-R1679 WeakPolarHBondContact O-CA 3.35Å; W1676-R1679 WeakPolarHBondContact O-CB 3.39Å; W1676-R1679 PolarHBondContact O-N 3.32Å; W1676-T1680 PolarHBondContact O-N 3.07Å; W1676-T1680 PolarHBondContact O-OG1 3.15Å; W1676-T1680 VanDerWaalsContact O-OG1 3.09Å
1677T60.7Low66.7Low90 Ų90102.6 Ų102.655%0.55251%0.51SS*.Hα-helixtrans-62.6-32.2177.8-43.70000113.3S1673 K1674 A1681S1673-T1677 PolarHBondContact O-N 3.15Å; S1673-T1677 PolarHBondContact O-OG1 3.5Å; K1674-T1677 PolarHBondContact O-N 3.28Å; T1677-A1681 WeakPolarHBondContact O-CB 3.39Å; T1677-A1681 PolarHBondContact O-N 3.39Å
1678I62.4Low65.4Low104 Ų104104.7 Ų104.753%0.53352%0.516SS..Hα-helixtrans-66.9-40.3172.5-71.9165000110.6K1674 W1676 A1681 M1682K1674-I1678 WeakPolarHBondContact O-CB 3.26Å; K1674-I1678 WeakPolarHBondContact O-CD1 3.48Å; K1674-I1678 VanDerWaalsContact O-CG1 3.23Å; K1674-I1678 WeakPolarHBondContact O-CG1 3.3Å; K1674-I1678 PolarHBondContact O-N 3.43Å; W1676-I1678 VanDerWaalsContact C-N 3.28Å; W1676-I1678 PolarHBondContact O-N 3.14Å; I1678-A1681 PolarHBondContact O-N 2.68Å; I1678-M1682 HydrophobicContact CG2-SD 3.85Å; I1678-M1682 VanDerWaalsContact O-CG 3.32Å; I1678-M1682 WeakPolarHBondContact O-CG 3.39Å; I1678-M1682 PolarHBondContact O-N 2.95Å
1679R53.6Low63.9Low160 Ų160102.2 Ų102.260%0.60451%0.513SS*.Hα-helixtrans-64.2-51.4179.2-170.7178.1-171141.68.9111.7T1675 W1676 A1681 M1682 E1683T1675-R1679 PolarHBondContact O-N 3.34Å; T1675-R1679 VanDerWaalsContact O-N 3.14Å; W1676-R1679 WeakPolarHBondContact O-CA 3.35Å; W1676-R1679 WeakPolarHBondContact O-CB 3.39Å; W1676-R1679 PolarHBondContact O-N 3.32Å; R1679-A1681 PolarHBondContact O-N 3.11Å; R1679-M1682 PolarHBondContact O-N 2.92Å; R1679-E1683 VanDerWaalsContact CG-OE1 3.26Å; R1679-E1683 WeakPolarHBondContact CG-OE1 3.4Å; R1679-E1683 IonicContact CZ-OE1 2.63Å; R1679-E1683 IonicContact NE-OE1 3Å; R1679-E1683 PolarHBondContact NE-OE1 2.77Å; R1679-E1683 IonicContact NH2-OE1 2.61Å; R1679-E1683 PolarHBondContact O-N 3.22Å
1680T47.9Very low62.2Low72 Ų72109.4 Ų109.444%0.44255%0.549SS..THydrogen-bonded Turntrans-72.612.7177.1-29.50000113.9W1676W1676-T1680 PolarHBondContact O-N 3.07Å; W1676-T1680 PolarHBondContact O-OG1 3.15Å; W1676-T1680 VanDerWaalsContact O-OG1 3.09Å
1681A42.1Very low60.6Low77 Ų77113.4 Ų113.464%0.63657%0.568SS**THydrogen-bonded Turntrans-128.29.217000000112.3T1677 I1678 R1679T1677-A1681 WeakPolarHBondContact O-CB 3.39Å; T1677-A1681 PolarHBondContact O-N 3.39Å; I1678-A1681 PolarHBondContact O-N 2.68Å; R1679-A1681 PolarHBondContact O-N 3.11Å
1682M43Very low58.7Low161 Ų161113 Ų11379%0.79357%0.569SS**THydrogen-bonded Turntrans-120-27.3169.8-67.3-17881.700111.1I1678 R1679I1678-M1682 HydrophobicContact CG2-SD 3.85Å; I1678-M1682 VanDerWaalsContact O-CG 3.32Å; I1678-M1682 WeakPolarHBondContact O-CG 3.39Å; I1678-M1682 PolarHBondContact O-N 2.95Å; R1679-M1682 PolarHBondContact O-N 2.92Å
1683E32.4Very low56.6Low167 Ų167115.5 Ų115.578%0.7859%0.587SS**  trans-71.50151.3-66.2162.2-17300110.4R1679R1679-E1683 VanDerWaalsContact CG-OE1 3.26Å; R1679-E1683 WeakPolarHBondContact CG-OE1 3.4Å; R1679-E1683 IonicContact CZ-OE1 2.63Å; R1679-E1683 IonicContact NE-OE1 3Å; R1679-E1683 PolarHBondContact NE-OE1 2.77Å; R1679-E1683 IonicContact NH2-OE1 2.61Å; R1679-E1683 PolarHBondContact O-N 3.22Å

Retrieved 1,683 of 1,683 residues in 1154.4 ms (Link to these results)