A0A5K4EAY7_SCHMA Loading...

GRIP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EAY7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,664 aa.

>A0A5K4EAY7_SCHMA|A0A5K4EAY7
MFSNLKGLVKKEGTNKGESERTDADIAFETRTSSVQLKPTSPSVASNHGRTNDITESNSDSNAFQNKSPTSKETDNVKLLKCTGPFGELDDSDCGSVMSSTFRLSTETSDIQSRCQRVYQMARNYKIKYQQLVEAYKVMESERNNLQQLLASHQAKTSKSVDEMYKKLELDKQTKDELERDFRRLLSEKEEIIKSLRLQCDQQNINKLRSELADSKLSQAALQEQVQCLKAQFYSNSSTEETGLLQNESSNKLLVRTESNYIHRSDEIINKTNEQSNEIKSLSCQLEKLNQKLADSEDIRIRLDKEVNELKSALGSSKSEVNPTIISDNQCNPGLVNLQTLNDELTTQLNESKLKIEHLESNQIEQLKQIDHLESELHSYQNIQQENEHLKIYYQNLFNQIHKFKSDIFNLNNKKLIELYPIFNDSMNSLFNIQNLENFKLFIELLLYDTLKTIQELKCNCNDKQSVIECLQSQLTTIQSNEEHQQQEQQLLTDQLNQQINNLHDDYSKEVKKYSDLELKYNEVQVQLNTVQNHLESTNALKEELEVKITDLLKVQSELETMVSNNKQLHDKDKQLIKHLTNEQNEKYSQLFNEYNNLNKQLLDNNEQLKIEQNKLMDKSNELIIVNEELKQLKEFMSKMQNNYQIELNEQSEEIQSLQQTLNTTKNQFESIQTQFINKCESESVSHNTELQNIQTELTEAYKRIENLQCQLYSSIEQNTHLAKTMEEEHVDTLSEYQQHVYELIKLSNEACELLLKQSEQLSNKLNPIWNILETADQRLALINTNIDSVLVVTCKRFQTYATSVEQLQNELTILKSDLVTRNDVVNDLNMELEKKQDEINNLHLTLDKYNSFNQTIHNFICNDHRQLYQSLIKLCQSKITWILTEMNQSKQNLNNTDIENNNNEQDLYNEYNQIELDAKTLNESFNTMKHLIFSDFNAEHNVNSLELFCNWLNSESYTTSTDHLFKDLNKLDILDIRSQTLHKECINHFKHSIVHNHRLNTNELHVQLDSLKNHCNELNSQLIQAQLDNQKLAADQKSTDEKFNSIEGSLIKANQTIDELKRNESILKENYTNQLKLFEESQQTIYDLNKQLELITEKSNRLSKELTEKETVLNNTLEESDKVVSSLNTKYEQLQSELQKVQLEHANMLENYKTKYTNELNDLNKKYEMEKSQCIEQLNVEHQTALKNAVDTAVFTKEKQMKQQNSELRNRLKQVLQELETSKKLSATPSRREIELQNILHGTEEKLKQLQLEYADQCKSLEELQIKIEELESMNMEINDNSKKNQQDLWDHNCDSISEIHENYQMQIELLKTEQANCIQEMTREFGQKLSTKEREVIAQQKIENDQTLTKLKQMEQSHSEKLAYFEETISDYDRQNTRLKNRISELQLELKRLTDNNNNTVEARHEPIKVVDTPLTTSTQSMVSRHDVDVQCDIKLNENNALINTTTNTNICNHENGTASSTKLCSEVNNNTHLQSNDEHDDWIEKVRQEILQSDSIDSLHPALRQSRYPTSVPIRDYEALQLHNTDLQNQLQQLSADFEALRSKCTAACSSASNKNSLSESLHIHTVDNTVRSNNYSLSFNSIPPDYQHVLLTSPSDNRLHELVEYEYLKNVLFEYMQGRETQTLSKVLCSLMRFNADQTRKVLTYEDQKSKTWTIRTAME
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.5Very low32.7Very low229 Ų229149.9 Ų149.9100%1.12878%0.776SS**  0123.30-70175177.600106.4
2F35.8Very low32.2Very low184 Ų184151 Ų15181%0.80778%0.775SS**  cis-126.8121.8-11.5-95.1-102.7000106.5
3S32.9Very low32.1Very low91 Ų91144.3 Ų144.364%0.63677%0.766SS**  66.697.595.6-56.80000113.5
4N33.3Very low31.9Very low152 Ų152143.1 Ų143.181%0.81377%0.767SS**  86.2150.380.2-100.7-37.9000114.9
5L33.6Very low31.7Very low150 Ų150143.3 Ų143.379%0.78577%0.768SS**  trans76.7133.7174-54.2161000114.9
6K37.6Very low31.4Very low184 Ų184147.6 Ų147.680%0.878%0.778SS**  cis-142.2162.5-10-70.5118.3174.3-177.60106.7
7G31.9Very low31.2Very low62 Ų62142.6 Ų142.664%0.63977%0.77SS**  cis112.7134500000113
8L31Very low31Very low169 Ų169145.6 Ų145.689%0.88578%0.778SS**  trans78.4141.2173-51.2160000113.9
9V31.1Very low30.9Very low105 Ų105143.7 Ų143.764%0.63678%0.777SS**  cis-167152.40.897.30000114.5
10K30.7Very low30.8Very low173 Ų173143.6 Ų143.675%0.75277%0.772SS**  trans68.7122.9157.5-72.2173.1-166.4174.80118.5
11K28.1Very low30.7Very low150 Ų150146 Ų14665%0.65277%0.77SS**  83.6109.568.4-82.3-174.5161.9-80.10112.4
12E27.5Very low30.7Very low163 Ų163140.7 Ų140.776%0.76275%0.75SS**  88.7133.5101.4-73.3166.5179.400115.1
13G30Very low30.6Very low64 Ų64140.1 Ų140.166%0.6676%0.756SS**  trans127.386.2172.600000113.3
14T29.4Very low30.7Very low127 Ų127139.4 Ų139.478%0.77976%0.756SS**  78111.175.563.40000117
15N28.6Very low30.8Very low146 Ų146140 Ų14078%0.78176%0.758SS**  trans66.5135.5139.3-63.1-15.8000121.9
16K27.9Very low30.9Very low213 Ų213139.3 Ų139.393%0.92675%0.754SS**  trans70.9145.7171.2-52.9177.7-179.4-175.10114.4
17G27.8Very low30.8Very low63 Ų63135 Ų13565%0.64975%0.753SS**  cis167.6-179.3-4.700000111.2
18E27.2Very low30.9Very low195 Ų195140.3 Ų140.391%0.91176%0.759SS**  trans63.8110.7163.7-70.1160.3-159.700118.4
19S29.1Very low31Very low110 Ų110137.5 Ų137.577%0.76974%0.741SS**  trans-3.6127.8141.1160.90000117.8
20E28.7Very low31.2Very low141 Ų141137.9 Ų137.966%0.65974%0.744SS**  -164146.1109.5-108-163.4127.600115.2
21R29.9Very low31.3Very low195 Ų195138.8 Ų138.874%0.73674%0.743SS**  trans40.8132.3140.8-75.6-174.5158.7125.7-9.8124
22T32.3Very low31.7Very low117 Ų117137.6 Ų137.672%0.71875%0.748SS**  trans54.2129.9134.662.70000121.6
23D35.1Very low32Very low172 Ų172134.9 Ų134.992%0.9275%0.747SS**  -142.5160.2118.7-95.7-37.1000109.6
24A33.6Very low32.2Very low77 Ų77136.8 Ų136.864%0.63675%0.751SS**  trans-159.1139.2-176.400000113.3
25D35.5Very low32.4Very low163 Ų163136.9 Ų136.987%0.87275%0.75SS**  trans-140.4124.8165.7-78.5-56.5000107
26I36.3Very low32.5Very low136 Ų136137.3 Ų137.370%0.69775%0.748SS**  cis91.694.530.6-57.2171.2000113.9
27A35.4Very low32.7Very low93 Ų93134.3 Ų134.377%0.76974%0.741SS**  trans175.3146.3143.700000111.5
28F34.5Very low32.8Very low174 Ų174140.6 Ų140.676%0.76375%0.751SS**  cis-153.6174.8-26.6-140.2-94.6000109.6
29E32.7Very low33.1Very low110 Ų110136.2 Ų136.251%0.51474%0.739SS.*  trans-52.7171.3-170.5-58.4-166.693.700118.7R31E29-R31 VanDerWaalsContact CD-NH2 3.32Å; E29-R31 IonicContact OE1-CZ 2.81Å; E29-R31 IonicContact OE1-NE 3.85Å; E29-R31 PolarHBondContact OE1-NE 2.98Å; E29-R31 IonicContact OE1-NH2 3.7Å; E29-R31 PolarHBondContact OE1-NH2 3.04Å; E29-R31 IonicContact OE2-CZ 3.67Å; E29-R31 IonicContact OE2-NH2 3.05Å; E29-R31 PolarHBondContact OE2-NH2 3.11Å; E29-R31 VanDerWaalsContact OE2-NH2 3.13Å
30T35.3Very low33.1Very low114 Ų114137.2 Ų137.270%0.69974%0.741SS**  cis-156.2133.436.345.30000118.1
31R33.4Very low33.4Very low191 Ų191135.6 Ų135.672%0.72175%0.745SS**  46.6146123.8-46.2179-170.5-176.66.7120.2E29E29-R31 VanDerWaalsContact CD-NH2 3.32Å; E29-R31 IonicContact OE1-CZ 2.81Å; E29-R31 IonicContact OE1-NE 3.85Å; E29-R31 PolarHBondContact OE1-NE 2.98Å; E29-R31 IonicContact OE1-NH2 3.7Å; E29-R31 PolarHBondContact OE1-NH2 3.04Å; E29-R31 IonicContact OE2-CZ 3.67Å; E29-R31 IonicContact OE2-NH2 3.05Å; E29-R31 PolarHBondContact OE2-NH2 3.11Å; E29-R31 VanDerWaalsContact OE2-NH2 3.13Å
32T35.6Very low33.6Very low125 Ų125132 Ų13277%0.76775%0.746SS**  cis-145.7136.728.849.70000116.1
33S33.5Very low33.4Very low107 Ų107131.2 Ų131.275%0.74875%0.746SS**  trans24.2143.7132.9-41.30000121.5
34S33.9Very low33.2Very low104 Ų104129.6 Ų129.673%0.72774%0.742SS**  cis-166.2143.547.7-54.10000116.3
35V34.9Very low32.9Very low128 Ų128129.8 Ų129.878%0.77674%0.744SS**  trans64.8132.9130.7166.10000120.5
36Q29.7Very low32.6Very low155 Ų155126.9 Ų126.972%0.72474%0.736SS**  cis-173.4174.3-13.5-156.1174.567.200111.7
37L32.4Very low32.3Very low150 Ų150126.8 Ų126.879%0.78574%0.737SS**  trans84.682.7158.2-58.2178.6000121.7
38K29.5Very low32Very low196 Ų196130.9 Ų130.985%0.85274%0.74SS**  trans-51.7-179135.7-116.7177.4-179.4175.30112.4
39P33.9Very low31.8Very low103 Ų103126.4 Ų126.467%0.66974%0.743SS**  cis-146.8-171.86.629-1.9000118.8
40T30.2Very low31.5Very low131 Ų131132 Ų13280%0.80476%0.759SS**  trans95.5119.2137.315.40000123.3
41S33.7Very low31.2Very low107 Ų107131.5 Ų131.575%0.74876%0.756SS**  trans-70.7178151.9-27.20000111.4
42P35.1Very low31Very low118 Ų118128.8 Ų128.877%0.76676%0.756SS**  -155.4-176.560.543.8-21.4000119.2
43S27.2Very low30.7Very low102 Ų102129.6 Ų129.671%0.71376%0.756SS**  trans-33.1154.3168.758.60000121.7
44V31.8Very low30.6Very low137 Ų137131.7 Ų131.783%0.8376%0.757SS**  172.7127.2120.9149.50000106.9
45A27Very low30.4Very low81 Ų81131.7 Ų131.767%0.66975%0.753SS**  cis114.7131.718.700000113
46S29.3Very low30.1Very low102 Ų102134 Ų13471%0.71376%0.755SS**  trans98.5137.9158.985.20000120.9
47N30.4Very low30.3Very low134 Ų134130.9 Ų130.972%0.71775%0.75SS**  trans71.8145.7144.8-59.3-18.5000120.5
48H29.1Very low30.2Very low180 Ų180129.8 Ų129.883%0.83375%0.746SS**  cis-172.4119-30.3-127.810.8000110
49G29Very low30.4Very low80 Ų80125.9 Ų125.983%0.82574%0.743SS**  trans64.8-175.4170.500000116.4
50R27.7Very low30.2Very low226 Ų226128 Ų12885%0.85375%0.749SS**  cis-163.6129.7-10.7-153.5-167.6176.4161-1110.8
51T27.7Very low30.2Very low104 Ų104126.4 Ų126.464%0.63874%0.743SS**  trans55.1143.5148.149.90000123.4
52N29.5Very low30.1Very low134 Ų134128.9 Ų128.972%0.71775%0.748SS**  trans92.2110.4157-55.3-11.9000119.1
53D28.9Very low29.8Very low143 Ų143126.8 Ų126.877%0.76574%0.74SS**  42.5164.7105.7-50.2-12.8000122.2
54I32Very low29.8Very low150 Ų150131.1 Ų131.177%0.76975%0.746SS**  trans100.583.7178-59.4168.3000111.9
55T29.9Very low29.6Very low105 Ų105132 Ų13264%0.64474%0.741SS**  85.2131.764.362.30000115.4
56E29.1Very low29.7Very low175 Ų175134.5 Ų134.582%0.81874%0.744SS**  trans67.9156.4156.5-65.8168.2-155.300116.2
57S33.1Very low29.6Very low90 Ų90139.4 Ų139.463%0.62975%0.752SS**  cis-152.9144.62262.30000114.4
58N29.8Very low29.4Very low128 Ų128138.4 Ų138.468%0.68476%0.755SS**  trans46.9136.1130.1-50.6-16.1000119.3
59S34.3Very low29.9Very low114 Ų114135.2 Ų135.280%0.79775%0.751SS**  -162.2142.561-57.60000114.2
60D28.9Very low29.8Very low148 Ų148137.9 Ų137.979%0.79175%0.751SS**  trans-62.3162.4165.5-49.4-93.3000112.8
61S31.6Very low29.8Very low96 Ų96131.8 Ų131.867%0.67174%0.743SS**  170.3135.3104.748.70000114.6
62N31.1Very low29.8Very low160 Ų160134.8 Ų134.886%0.85675%0.747SS**  trans64.1159.2143.8-64.7-26.8000119.9
63A27.5Very low29.6Very low73 Ų73135.2 Ų135.260%0.60375%0.745SS**  cis-172.1136.6-28.200000110.1
64F28Very low29.7Very low193 Ų193134.4 Ų134.485%0.84675%0.745SS**  trans63.7147.8147-87.2-98.8000122.7
65Q28.4Very low29.6Very low156 Ų156133.3 Ų133.373%0.72974%0.741SS**  trans84.2100.4149.7-73.2176.438.600122.9
66N27.5Very low29.6Very low134 Ų134134.5 Ų134.572%0.71774%0.744SS**  56.3102.6111.6-59.4-9.5000120.8
67K27.4Very low29.9Very low205 Ų205131.2 Ų131.289%0.89174%0.735SS**  164.3141107.7-90.5156.6-176175.30115
68S27.7Very low30.2Very low112 Ų112135 Ų13578%0.78374%0.74SS**  trans-93.5-177.4157.7-47.60000109.9
69P38.8Very low30.4Very low114 Ų114134.4 Ų134.474%0.7474%0.737SS**  -132.5156-62.236.9-22.9000112.8
70T27.6Very low30.6Very low135 Ų135133.2 Ų133.283%0.82872%0.721SS**  trans-169128.5155.720.70000114.8
71S27.2Very low30.7Very low98 Ų98136 Ų13669%0.68573%0.726SS**  trans36.9147.2134.674.60000124.8
72K27.2Very low30.8Very low168 Ų168135.5 Ų135.573%0.7372%0.721SS**  trans95.1106.5149.4-76.2179.9163-85.90120.5
73E26.3Very low30.8Very low142 Ų142135.1 Ų135.166%0.66473%0.725SS**  73.1148.8123.1-72.1173.4114.300122.9
74T29.8Very low31.2Very low126 Ų126135 Ų13577%0.77373%0.73SS**  trans75.6133.9158.7420000120.9
75D30.2Very low31.9Very low128 Ų128131 Ų13168%0.68472%0.724SS**  trans79.793139.3-73.932000121.9
76N30.3Very low32Very low130 Ų130133.3 Ų133.370%0.69573%0.732SS**  102.3130.7106.8-88.9-46000121.1
77V34.2Very low32.1Very low105 Ų105130.2 Ų130.264%0.63673%0.732SS**  trans88.6100.5135.7166.90000120.4
78K41.5Very low32.3Very low171 Ų171129 Ų12974%0.74373%0.73SS**  60.6156.3122.6-59-179.9-179.5178.10119.8
79L32.7Very low32.6Very low115 Ų115130.3 Ų130.360%0.60273%0.727SS**  cis-152.1174.4-4.3-148.867.6000111.5
80L38.9Very low32.3Very low88 Ų88131.7 Ų131.746%0.46173%0.728SS.*  trans-63.2160.6163.1-56.568.1000114.2
81K30Very low32.5Very low207 Ų207132.7 Ų132.790%0.973%0.729SS**  -147.9139.7123.3-93.1177.3-179.61790107.8
82C34.5Very low32.8Very low86 Ų86133.8 Ų133.858%0.58174%0.736SS**  cis97.1150.619-610000115.8
83T31.2Very low33Very low151 Ų151133.1 Ų133.193%0.92674%0.74SS**  trans74.9144.1-174.272.20000114.6
84G36.4Very low33.3Very low70 Ų70132.6 Ų132.672%0.72275%0.751SS**  cis154.1-164.60.100000109.3
85P41.8Very low33.3Very low110 Ų110129.4 Ų129.471%0.71474%0.743SS**  cis-136.9-156.1-43.827.5-3000111.7
86F31.3Very low33.5Very low204 Ų204129.2 Ų129.290%0.89575%0.752SS**  trans83.4148.7164.4-68.5-71.4000121.5
87G29.9Very low33.4Very low70 Ų70129.1 Ų129.172%0.72276%0.756SS**  trans-156176.716800000108
88E30.5Very low33.4Very low179 Ų179132.2 Ų132.284%0.83677%0.766SS**  trans-142143.4-167-133.8173.7-162.300111.6
89L33.6Very low33.1Very low140 Ų140129 Ų12973%0.73376%0.764SS**  trans66.3142.1168.4-48.8167.7000116.5
90D32.7Very low33.1Very low143 Ų143128.9 Ų128.977%0.76577%0.773SS**  cis-155.6174.8-11.1-119.6-5.4000111.4
91D32.8Very low32.8Very low156 Ų156130.6 Ų130.683%0.83479%0.788SS**  trans-45.8145.8-171.8-71.4-36.6000119
92S32.6Very low32.8Very low120 Ų120127.9 Ų127.984%0.83978%0.776SS**  172.8154.6105.6-164.80000115.1
93D32.7Very low32.9Very low154 Ų154135.1 Ų135.182%0.82479%0.791SS**  trans-57.1142.8-173.8-78.9-53.4000117.2
94C31.4Very low32.9Very low132 Ų132135.2 Ų135.289%0.89279%0.785SS**  -167.6135.6101.8-149.10000113.4
95G30.4Very low32.7Very low59 Ų59136.8 Ų136.861%0.60879%0.785SS**  trans-120.6177.2171.600000113.4
96S34Very low32.4Very low123 Ų123137.7 Ų137.786%0.8679%0.789SS**  trans71.3160.1-177.6-131.20000113.5
97V28.7Very low33.2Very low128 Ų128135 Ų13578%0.77678%0.779SS**  cis-133140.116.8178.80000111.8
98M34.1Very low34.3Very low171 Ų171137.4 Ų137.484%0.84278%0.78SS**  trans-93.8140.7166.7-169.5-173-173.200110.9
99S34.3Very low36.1Very low102 Ų102132 Ų13271%0.71376%0.761SS**  trans83125.8170.5-45.40000118.4
100S33.5Very low37.6Very low113 Ų113129.9 Ų129.979%0.7975%0.751SS**  trans-149.7119.2131.753.20000113.5
101T31.6Very low39.1Very low125 Ų125128.5 Ų128.577%0.76774%0.742SS**  trans60.5103.5137.3-48.50000120.6
102F31.5Very low41.1Very low150 Ų150127.3 Ų127.366%0.65873%0.732SS**  trans-50.1146.7154.2-88.9-122.8000112.7L104F102-L104 HydrophobicContact CD1-CD2 4.37Å
103R36.1Very low43.1Very low237 Ų237123.7 Ų123.789%0.89471%0.706SS**  trans-125.4139.7143.5-72.4-167.1176-150.7-0.1109.5
104L30.5Very low44.9Very low154 Ų154122.8 Ų122.881%0.80669%0.691SS**  trans-101.1113.8-177.9-73.4162.3000109.6F102F102-L104 HydrophobicContact CD1-CD2 4.37Å
105S33.7Very low46.7Very low102 Ų102119.7 Ų119.771%0.71367%0.67SS**  trans-147.9114167.6-71.30000110.8
106T33.9Very low49Very low129 Ų129123 Ų12379%0.79167%0.67SS**SBendtrans63.2148.2155.446.50000120.8
107E49.3Very low51.2Low149 Ų149124.5 Ų124.570%0.69666%0.657SS**  trans64.8123.6170.7-58.9-167.4-173.800119.9S109 D110E107-S109 PolarHBondContact O-N 3.07Å; E107-D110 PolarHBondContact O-N 3.24Å
108T52.8Low53.5Low120 Ų120123 Ų12374%0.73665%0.648SS**Hα-helixtrans-62.9-25.3172.533.90000113.4D110 I111 Q112T108-D110 PolarHBondContact O-N 3.32Å; T108-I111 PolarHBondContact O-N 3.15Å; T108-Q112 PolarHBondContact O-N 3.18Å
109S68.5Low55.9Low64 Ų64123.5 Ų123.545%0.44864%0.642SS.*Hα-helixtrans-51.1-42.7174.2-175.20000112.3E107 Q112 S113E107-S109 PolarHBondContact O-N 3.07Å; S109-Q112 PolarHBondContact O-N 2.86Å; S109-S113 VanDerWaalsContact O-CB 3.27Å; S109-S113 WeakPolarHBondContact O-CB 3.22Å; S109-S113 PolarHBondContact O-N 3.38Å; S109-S113 PolarHBondContact O-OG 2.85Å
110D64.7Low58.1Low97 Ų97123.6 Ų123.652%0.51963%0.631SS.*Hα-helixtrans-77.1-32.4-172.9-129.530.2000112.4E107 T108 R114E107-D110 PolarHBondContact O-N 3.24Å; T108-D110 PolarHBondContact O-N 3.32Å; D110-R114 WeakPolarHBondContact O-CB 3.19Å; D110-R114 PolarHBondContact O-N 2.88Å
111I64.5Low60.3Low114 Ų114125 Ų12559%0.58563%0.627SS**Hα-helixtrans-68-46.4171.9-62.2177.6000109.9T108 S113 R114 C115T108-I111 PolarHBondContact O-N 3.15Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.47Å; I111-R114 PolarHBondContact O-N 3.23Å; I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.32Å; I111-C115 VanDerWaalsContact O-SG 3.41Å
112Q74.7Confident62.6Low131 Ų131121.8 Ų121.861%0.61261%0.613SS**Hα-helixtrans-60.4-43.9175.9-174.6168.7-1500111.1T108 S109 R114 C115 Q116T108-Q112 PolarHBondContact O-N 3.18Å; S109-Q112 PolarHBondContact O-N 2.86Å; Q112-R114 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 3.04Å; Q112-C115 PolarHBondContact O-N 3.11Å; Q112-Q116 WeakPolarHBondContact O-CB 3.48Å; Q112-Q116 PolarHBondContact O-N 3.04Å
113S74.7Confident65.3Low43 Ų43122.5 Ų122.530%0.30161%0.611SS.*Hα-helixtrans-67.2-26.6177-60.80000113.9S109 I111 R117S109-S113 VanDerWaalsContact O-CB 3.27Å; S109-S113 WeakPolarHBondContact O-CB 3.22Å; S109-S113 PolarHBondContact O-N 3.38Å; S109-S113 PolarHBondContact O-OG 2.85Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.47Å; S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 WeakPolarHBondContact O-CG 3.47Å; S113-R117 PolarHBondContact O-N 3.31Å; S113-R117 PolarHBondContact O-NE 3.41Å
114R69.8Low67.5Low135 Ų135114.9 Ų114.951%0.50959%0.588SS.*Hα-helixtrans-75.8-45.9168.9-85.6174.261.6167.9-3.2111.7D110 I111 Q112 Q116 R117 V118D110-R114 WeakPolarHBondContact O-CB 3.19Å; D110-R114 PolarHBondContact O-N 2.88Å; I111-R114 PolarHBondContact O-N 3.23Å; Q112-R114 VanDerWaalsContact C-N 3.33Å; Q112-R114 PolarHBondContact O-N 3.04Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 3.47Å; R114-R117 PolarHBondContact O-N 3.47Å; R114-V118 WeakPolarHBondContact O-CG2 3.5Å; R114-V118 PolarHBondContact O-N 3.16Å
115C70.5Confident70.1Confident67 Ų67115.6 Ų115.645%0.45358%0.581SS.*Hα-helixtrans-58.8-45.1176.3-71.90000111.6I111 Q112 R117 V118 Y119I111-C115 PolarHBondContact O-N 3.44Å; I111-C115 PolarHBondContact O-SG 3.32Å; I111-C115 VanDerWaalsContact O-SG 3.41Å; Q112-C115 PolarHBondContact O-N 3.11Å; C115-R117 PolarHBondContact O-N 2.99Å; C115-V118 PolarHBondContact O-N 3.42Å; C115-Y119 VanDerWaalsContact O-CD2 3.31Å; C115-Y119 WeakPolarHBondContact O-CD2 3.43Å; C115-Y119 PolarHBondContact O-N 3.23Å
116Q78.5Confident72.6Confident130 Ų130117.7 Ų117.761%0.60758%0.577SS**Hα-helixtrans-65.4-38.4179.7-164.1168.23.200112.2Q112 R114 Y119 Q120Q112-Q116 WeakPolarHBondContact O-CB 3.48Å; Q112-Q116 PolarHBondContact O-N 3.04Å; R114-Q116 VanDerWaalsContact C-N 3.34Å; R114-Q116 PolarHBondContact O-N 3.47Å; Q116-Y119 PolarHBondContact O-N 3.49Å; Q116-Q120 WeakPolarHBondContact O-CB 3.39Å; Q116-Q120 PolarHBondContact O-N 3.04Å
117R78.4Confident75.1Confident153 Ų153115.3 Ų115.358%0.57756%0.559SS**Hα-helixtrans-62.9-43.2170.6-81.4-177.3-77.2-179.6-7.7112.7S113 R114 C115 Q120 M121S113-R117 WeakPolarHBondContact O-CB 3.42Å; S113-R117 WeakPolarHBondContact O-CG 3.47Å; S113-R117 PolarHBondContact O-N 3.31Å; S113-R117 PolarHBondContact O-NE 3.41Å; R114-R117 PolarHBondContact O-N 3.47Å; C115-R117 PolarHBondContact O-N 2.99Å; R117-Q120 PolarHBondContact O-N 3.5Å; R117-M121 WeakPolarHBondContact O-CB 3.39Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 2.92Å
118V77.7Confident76.7Confident97 Ų97115.6 Ų115.659%0.58856%0.558SS**Hα-helixtrans-64.9-42.3176.9171.50000111.5R114 C115 Q120 M121 A122R114-V118 WeakPolarHBondContact O-CG2 3.5Å; R114-V118 PolarHBondContact O-N 3.16Å; C115-V118 PolarHBondContact O-N 3.42Å; V118-Q120 PolarHBondContact O-N 3.1Å; V118-M121 PolarHBondContact O-N 3.37Å; V118-A122 WeakPolarHBondContact O-CB 3.5Å; V118-A122 PolarHBondContact O-N 3.21Å
119Y83.8Confident78.2Confident181 Ų181116.3 Ų116.371%0.7155%0.548SS*.Hα-helixtrans-61.4-41.4173.6-88.8-69000112.3C115 Q116 A122 R123C115-Y119 VanDerWaalsContact O-CD2 3.31Å; C115-Y119 WeakPolarHBondContact O-CD2 3.43Å; C115-Y119 PolarHBondContact O-N 3.23Å; Q116-Y119 PolarHBondContact O-N 3.49Å; Y119-A122 PolarHBondContact O-N 3.27Å; Y119-R123 WeakPolarHBondContact O-CB 3.37Å; Y119-R123 PolarHBondContact O-N 3.44Å
120Q81.5Confident79.1Confident104 Ų104117.5 Ų117.549%0.48655%0.547SS..Hα-helixtrans-68.7-39177.2-163.467.85.200111.9Q116 R117 V118 R123 N124Q116-Q120 WeakPolarHBondContact O-CB 3.39Å; Q116-Q120 PolarHBondContact O-N 3.04Å; R117-Q120 PolarHBondContact O-N 3.5Å; V118-Q120 PolarHBondContact O-N 3.1Å; Q120-R123 PolarHBondContact O-N 3.33Å; Q120-N124 WeakPolarHBondContact O-CB 3.43Å; Q120-N124 PolarHBondContact O-N 3.28Å; Q120-N124 PolarHBondContact O-OD1 3.13Å
121M80.6Confident80Confident143 Ų143118.2 Ų118.270%0.70455%0.547SS*.Hα-helixtrans-62.2-43.4172.3-75.4178.5128.600111.9R117 V118 N124 Y125R117-M121 WeakPolarHBondContact O-CB 3.39Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 2.92Å; V118-M121 PolarHBondContact O-N 3.37Å; M121-N124 PolarHBondContact O-N 2.96Å; M121-Y125 WeakPolarHBondContact O-CB 3.28Å; M121-Y125 PolarHBondContact O-N 3.37Å
122A80Confident80.8Confident57 Ų57117.8 Ų117.847%0.47155%0.545SS..Hα-helixtrans-65.2-39176.200000112.4V118 Y119 Y125 K126V118-A122 WeakPolarHBondContact O-CB 3.5Å; V118-A122 PolarHBondContact O-N 3.21Å; Y119-A122 PolarHBondContact O-N 3.27Å; A122-Y125 PolarHBondContact O-N 3.43Å; A122-K126 WeakPolarHBondContact O-CB 3.44Å; A122-K126 PolarHBondContact O-N 3.48Å
123R86.1Confident81.4Confident165 Ų165113.9 Ų113.962%0.62353%0.53SS*.Hα-helixtrans-64-46.1173.7-174.2175-177.6163.91.2111.5Y119 Q120 K126 I127Y119-R123 WeakPolarHBondContact O-CB 3.37Å; Y119-R123 PolarHBondContact O-N 3.44Å; Q120-R123 PolarHBondContact O-N 3.33Å; R123-K126 PolarHBondContact O-N 3.5Å; R123-I127 HydrophobicContact CG-CD1 4.09Å; R123-I127 WeakPolarHBondContact O-CG1 3.24Å; R123-I127 PolarHBondContact O-N 3.19Å
124N82.7Confident81.9Confident78 Ų78116 Ų11642%0.41754%0.535SS..Hα-helixtrans-65.5-38.6177.8-69.93.7000111.8Q120 M121 I127 K128Q120-N124 WeakPolarHBondContact O-CB 3.43Å; Q120-N124 PolarHBondContact O-N 3.28Å; Q120-N124 PolarHBondContact O-OD1 3.13Å; M121-N124 PolarHBondContact O-N 2.96Å; N124-I127 PolarHBondContact O-N 3.17Å; N124-K128 WeakPolarHBondContact O-CG 3.27Å; N124-K128 PolarHBondContact O-N 2.82Å
125Y84.9Confident82.3Confident168 Ų168112.1 Ų112.166%0.65953%0.532SS*.Hα-helixtrans-63.5-44.4173-177.1-93.8000111.4M121 A122 I127 K128 Y129M121-Y125 WeakPolarHBondContact O-CB 3.28Å; M121-Y125 PolarHBondContact O-N 3.37Å; A122-Y125 PolarHBondContact O-N 3.43Å; Y125-I127 VanDerWaalsContact C-N 3.34Å; Y125-I127 PolarHBondContact O-N 3.3Å; Y125-K128 PolarHBondContact O-N 3.1Å; Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.38Å
126K87.1Confident82.9Confident146 Ų146116.2 Ų116.264%0.63554%0.539SS*.Hα-helixtrans-59.6-43.4174.8-173.7-179.2177.7-175.30111.8A122 R123 Y129 Q130A122-K126 WeakPolarHBondContact O-CB 3.44Å; A122-K126 PolarHBondContact O-N 3.48Å; R123-K126 PolarHBondContact O-N 3.5Å; K126-Y129 PolarHBondContact O-N 3.21Å; K126-Q130 VanDerWaalsContact O-CB 3.3Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 PolarHBondContact O-N 3.15Å
127I86.3Confident83.1Confident80 Ų80116.3 Ų116.341%0.4154%0.538SS..Hα-helixtrans-63.8-47.9177.4-68.1164.5000110.7R123 N124 Y125 Y129 Q130 Q131R123-I127 HydrophobicContact CG-CD1 4.09Å; R123-I127 WeakPolarHBondContact O-CG1 3.24Å; R123-I127 PolarHBondContact O-N 3.19Å; N124-I127 PolarHBondContact O-N 3.17Å; Y125-I127 VanDerWaalsContact C-N 3.34Å; Y125-I127 PolarHBondContact O-N 3.3Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.09Å; I127-Q130 WeakPolarHBondContact O-CB 3.5Å; I127-Q130 PolarHBondContact O-N 3.25Å; I127-Q131 HydrophobicContact CG2-CG 4.44Å; I127-Q131 WeakPolarHBondContact O-CG 3.37Å; I127-Q131 PolarHBondContact O-N 3.27Å
128K82.5Confident83.2Confident154 Ų154112.8 Ų112.867%0.6753%0.533SS*.Hα-helixtrans-62.7-36.5177-74-168.4172.7-1620113.1N124 Y125 L132N124-K128 WeakPolarHBondContact O-CG 3.27Å; N124-K128 PolarHBondContact O-N 2.82Å; Y125-K128 PolarHBondContact O-N 3.1Å; K128-L132 WeakPolarHBondContact O-CB 3.45Å; K128-L132 PolarHBondContact O-N 3.37Å
129Y84.3Confident83.1Confident136 Ų136113.4 Ų113.453%0.53353%0.531SS..Hα-helixtrans-67.6-41.6174.3-174.9-94.2000111.8Y125 K126 I127 L132 V133Y125-Y129 WeakPolarHBondContact O-CB 3.35Å; Y125-Y129 PolarHBondContact O-N 3.38Å; K126-Y129 PolarHBondContact O-N 3.21Å; I127-Y129 VanDerWaalsContact C-N 3.32Å; I127-Y129 PolarHBondContact O-N 3.09Å; Y129-L132 PolarHBondContact O-N 3.09Å; Y129-V133 HydrophobicContact CD1-CG2 4.2Å; Y129-V133 HydrophobicContact CE1-CG2 3.83Å; Y129-V133 WeakPolarHBondContact O-CG2 3.39Å; Y129-V133 PolarHBondContact O-N 3.07Å
130Q88.7Confident82.5Confident88 Ų88109.1 Ų109.141%0.41152%0.517SS..Hα-helixtrans-59.2-49.6174.3-169.876.238.400110.9K126 I127 L132 V133 E134K126-Q130 VanDerWaalsContact O-CB 3.3Å; K126-Q130 WeakPolarHBondContact O-CB 3.45Å; K126-Q130 PolarHBondContact O-N 3.15Å; I127-Q130 WeakPolarHBondContact O-CB 3.5Å; I127-Q130 PolarHBondContact O-N 3.25Å; Q130-L132 PolarHBondContact O-N 2.63Å; Q130-V133 PolarHBondContact O-N 3.48Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q130-E134 PolarHBondContact NE2-OE1 3.18Å; Q130-E134 PolarHBondContact O-N 3.34Å
131Q83.2Confident82.4Confident113 Ų113106.9 Ų106.953%0.52851%0.513SS..Hα-helixtrans-60.8-41.1176.2-71173.8-49.500112.5I127 E134 A135I127-Q131 HydrophobicContact CG2-CG 4.44Å; I127-Q131 WeakPolarHBondContact O-CG 3.37Å; I127-Q131 PolarHBondContact O-N 3.27Å; Q131-E134 PolarHBondContact O-N 3.39Å; Q131-A135 WeakPolarHBondContact O-CB 3.27Å; Q131-A135 PolarHBondContact O-N 3.47Å
132L81.5Confident82.1Confident104 Ų104104.7 Ų104.755%0.54550%0.501SS..Hα-helixtrans-65.5-37.9176.5-177.263.4000112.1K128 Y129 Q130 Y136K128-L132 WeakPolarHBondContact O-CB 3.45Å; K128-L132 PolarHBondContact O-N 3.37Å; Y129-L132 PolarHBondContact O-N 3.09Å; Q130-L132 PolarHBondContact O-N 2.63Å; L132-Y136 HydrophobicContact CD1-CD2 4.5Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.42Å
133V86.6Confident82Confident50 Ų50104.9 Ų104.930%0.30349%0.49SS..Hα-helixtrans-68.9-35.8174.6167.10000111.6Y129 Q130 K137Y129-V133 HydrophobicContact CD1-CG2 4.2Å; Y129-V133 HydrophobicContact CE1-CG2 3.83Å; Y129-V133 WeakPolarHBondContact O-CG2 3.39Å; Y129-V133 PolarHBondContact O-N 3.07Å; Q130-V133 PolarHBondContact O-N 3.48Å; V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.42Å; V133-K137 VanDerWaalsContact O-N 3.17Å
134E84.4Confident81.5Confident86 Ų86100.6 Ų100.640%0.40248%0.479SS..Hα-helixtrans-71.3-43.6175.6-79152.4-163.400111.7Q130 Q131 Y136 K137 V138Q130-E134 WeakPolarHBondContact CG-OE1 3.46Å; Q130-E134 PolarHBondContact NE2-OE1 3.18Å; Q130-E134 PolarHBondContact O-N 3.34Å; Q131-E134 PolarHBondContact O-N 3.39Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.89Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.1Å; E134-K137 VanDerWaalsContact O-N 3.11Å; E134-V138 PolarHBondContact O-N 3.23Å; E134-V138 VanDerWaalsContact O-N 3.07Å
135A79.8Confident81.4Confident54 Ų54101.5 Ų101.545%0.44648%0.484SS..Hα-helixtrans-59-40.9171.400000112.4Q131 K137 V138 M139Q131-A135 WeakPolarHBondContact O-CB 3.27Å; Q131-A135 PolarHBondContact O-N 3.47Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.75Å; A135-V138 PolarHBondContact O-N 3.31Å; A135-M139 WeakPolarHBondContact O-CB 3.44Å; A135-M139 PolarHBondContact O-N 3.07Å
136Y81.8Confident81Confident153 Ų15399 Ų9960%0.648%0.481SS*.Hα-helixtrans-62.9-35.6174.7-115.5-88.6000113L132 E134 E140L132-Y136 HydrophobicContact CD1-CD2 4.5Å; L132-Y136 WeakPolarHBondContact O-CB 3.46Å; L132-Y136 PolarHBondContact O-N 3.42Å; E134-Y136 VanDerWaalsContact C-N 3.33Å; E134-Y136 PolarHBondContact O-N 2.89Å; Y136-E140 WeakPolarHBondContact O-CB 3.4Å; Y136-E140 PolarHBondContact O-N 3.26Å
137K84.1Confident80.5Confident133 Ų13397 Ų9758%0.57847%0.474SS*.Hα-helixtrans-69-39.5176-73.5170.2-179.5177.10112.5V133 E134 A135 S141V133-K137 WeakPolarHBondContact O-CG 3.39Å; V133-K137 PolarHBondContact O-N 3.42Å; V133-K137 VanDerWaalsContact O-N 3.17Å; E134-K137 WeakPolarHBondContact O-CB 3.45Å; E134-K137 PolarHBondContact O-N 3.1Å; E134-K137 VanDerWaalsContact O-N 3.11Å; A135-K137 VanDerWaalsContact C-N 3.32Å; A135-K137 PolarHBondContact O-N 2.75Å; K137-S141 PolarHBondContact O-N 3.25Å
138V79.9Confident80.1Confident79 Ų79100 Ų10048%0.47949%0.487SS..Hα-helixtrans-65.2-50.6175.31760000109.8E134 A135 E140 S141 E142E134-V138 PolarHBondContact O-N 3.23Å; E134-V138 VanDerWaalsContact O-N 3.07Å; A135-V138 PolarHBondContact O-N 3.31Å; V138-E140 VanDerWaalsContact C-N 3.27Å; V138-E140 PolarHBondContact O-N 2.73Å; V138-S141 PolarHBondContact O-N 3.48Å; V138-S141 PolarHBondContact O-OG 2.88Å; V138-E142 HydrophobicContact CG1-CG 4.44Å; V138-E142 WeakPolarHBondContact O-CG 3.23Å; V138-E142 PolarHBondContact O-N 3.02Å
139M74.4Confident79.9Confident110 Ų11098.5 Ų98.554%0.54249%0.485SS..Hα-helixtrans-58.1-37177.6-169.2-168.5-56.700112.7A135 R143A135-M139 WeakPolarHBondContact O-CB 3.44Å; A135-M139 PolarHBondContact O-N 3.07Å; M139-R143 VanDerWaalsContact O-CB 3.3Å; M139-R143 WeakPolarHBondContact O-CB 3.39Å; M139-R143 PolarHBondContact O-N 3.45Å
140E73.2Confident79.5Confident90 Ų9097 Ų9742%0.42149%0.486SS..Hα-helixtrans-73.9-32.3175.1-179.2137-123.500113Y136 V138 R143 N144Y136-E140 WeakPolarHBondContact O-CB 3.4Å; Y136-E140 PolarHBondContact O-N 3.26Å; V138-E140 VanDerWaalsContact C-N 3.27Å; V138-E140 PolarHBondContact O-N 2.73Å; E140-R143 IonicContact OE1-CZ 2.69Å; E140-R143 IonicContact OE1-NE 3.88Å; E140-R143 IonicContact OE1-NH2 2.63Å; E140-R143 PolarHBondContact OE1-NH2 2.83Å; E140-N144 PolarHBondContact O-N 3.48Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.49Å
141S78.3Confident79Confident57 Ų5795.3 Ų95.340%0.39949%0.487SS..Hα-helixtrans-69.6-42.2173.175.70000111.6K137 V138 N144 N145K137-S141 PolarHBondContact O-N 3.25Å; V138-S141 PolarHBondContact O-N 3.48Å; V138-S141 PolarHBondContact O-OG 2.88Å; S141-N144 PolarHBondContact O-N 3.18Å; S141-N145 PolarHBondContact O-N 3.34Å; S141-N145 PolarHBondContact O-ND2 2.69Å; S141-N145 PolarHBondContact O-OD1 2.8Å
142E74.6Confident78.7Confident97 Ų9792.7 Ų92.745%0.45348%0.481SS..Hα-helixtrans-60.3-45.3172.9-69.7176.2155.600112V138 N144 N145 L146V138-E142 HydrophobicContact CG1-CG 4.44Å; V138-E142 WeakPolarHBondContact O-CG 3.23Å; V138-E142 PolarHBondContact O-N 3.02Å; E142-N144 VanDerWaalsContact C-N 3.29Å; E142-N144 PolarHBondContact O-N 3.25Å; E142-N145 PolarHBondContact O-N 3.03Å; E142-L146 WeakPolarHBondContact O-CG 3.37Å; E142-L146 PolarHBondContact O-N 2.71Å
143R77.1Confident78.7Confident62 Ų6293.4 Ų93.423%0.23448%0.482CS..Hα-helixtrans-58.2-40.9174.8-169.2-16658.255.15.2111.8M139 E140 Q147M139-R143 VanDerWaalsContact O-CB 3.3Å; M139-R143 WeakPolarHBondContact O-CB 3.39Å; M139-R143 PolarHBondContact O-N 3.45Å; E140-R143 IonicContact OE1-CZ 2.69Å; E140-R143 IonicContact OE1-NE 3.88Å; E140-R143 IonicContact OE1-NH2 2.63Å; E140-R143 PolarHBondContact OE1-NH2 2.83Å; R143-Q147 VanDerWaalsContact O-CB 3.29Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 PolarHBondContact O-N 2.97Å
144N76.3Confident78.4Confident74 Ų7496.8 Ų96.840%0.39649%0.494SS..Hα-helixtrans-69-41.4176.5-68.9-34.3000111.7E140 S141 E142 Q147 Q148E140-N144 PolarHBondContact O-N 3.48Å; E140-N144 VanDerWaalsContact O-N 3.08Å; E140-N144 PolarHBondContact O-ND2 3.49Å; S141-N144 PolarHBondContact O-N 3.18Å; E142-N144 VanDerWaalsContact C-N 3.29Å; E142-N144 PolarHBondContact O-N 3.25Å; N144-Q147 PolarHBondContact O-N 3.08Å; N144-Q148 WeakPolarHBondContact O-CB 3.22Å; N144-Q148 PolarHBondContact O-N 3.32Å
145N80.7Confident78.2Confident97 Ų9795.3 Ų95.352%0.51950%0.496SS..Hα-helixtrans-60.5-47.1176-67.4-18.5000111.4S141 E142 Q147 Q148 L149S141-N145 PolarHBondContact O-N 3.34Å; S141-N145 PolarHBondContact O-ND2 2.69Å; S141-N145 PolarHBondContact O-OD1 2.8Å; E142-N145 PolarHBondContact O-N 3.03Å; N145-Q147 PolarHBondContact O-N 3.34Å; N145-Q148 PolarHBondContact O-N 3.33Å; N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.44Å
146L76.7Confident78.3Confident116 Ų11699.9 Ų99.961%0.60751%0.506SS*.Hα-helixtrans-63.7-39.5176.2-72.4171.6000112.2E142 L149 L150E142-L146 WeakPolarHBondContact O-CG 3.37Å; E142-L146 PolarHBondContact O-N 2.71Å; L146-L149 PolarHBondContact O-N 3.36Å; L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 2.94Å
147Q76.5Confident78.2Confident103 Ų10395.5 Ų95.548%0.48150%0.496SS..Hα-helixtrans-67.5-36.2176.6-169.31708.500112R143 N144 N145 A151R143-Q147 VanDerWaalsContact O-CB 3.29Å; R143-Q147 WeakPolarHBondContact O-CB 3.44Å; R143-Q147 PolarHBondContact O-N 2.97Å; N144-Q147 PolarHBondContact O-N 3.08Å; N145-Q147 PolarHBondContact O-N 3.34Å; Q147-A151 WeakPolarHBondContact O-CB 3.49Å; Q147-A151 PolarHBondContact O-N 3Å
148Q78.6Confident78Confident145 Ų14592.4 Ų92.468%0.67849%0.491SS*.Hα-helixtrans-72.5-36.6174.6-165.7173.136.600112.1N144 N145 S152N144-Q148 WeakPolarHBondContact O-CB 3.22Å; N144-Q148 PolarHBondContact O-N 3.32Å; N145-Q148 PolarHBondContact O-N 3.33Å; Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.09Å
149L77.4Confident78.1Confident121 Ų12195 Ų9563%0.63450%0.496SS*.Hα-helixtrans-63.5-45.6172.3-16975.8000111N145 L146 S152 H153N145-L149 WeakPolarHBondContact O-CB 3.3Å; N145-L149 PolarHBondContact O-N 3.44Å; L146-L149 PolarHBondContact O-N 3.36Å; L149-S152 PolarHBondContact O-N 3.43Å; L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-N 2.79Å
150L76Confident78.1Confident105 Ų10592.7 Ų92.755%0.5549%0.49SS..Hα-helixtrans-65.1-42.4177.4-173.267.7000111.8L146 H153 Q154L146-L150 WeakPolarHBondContact O-CB 3.47Å; L146-L150 PolarHBondContact O-N 2.94Å; L150-H153 PolarHBondContact O-N 3.36Å; L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3.22Å
151A78.1Confident78.3Confident53 Ų5390.8 Ų90.844%0.43849%0.485SS..Hα-helixtrans-64.6-38.9174.800000112.2Q147 A155Q147-A151 WeakPolarHBondContact O-CB 3.49Å; Q147-A151 PolarHBondContact O-N 3Å; A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.32Å
152S77.8Confident78.4Confident58 Ų5892.9 Ų92.941%0.40649%0.491SS..Hα-helixtrans-64.6-41.3173-176.10000111.7Q148 L149 A155 K156Q148-S152 VanDerWaalsContact O-CB 3.25Å; Q148-S152 WeakPolarHBondContact O-CB 3.41Å; Q148-S152 PolarHBondContact O-N 3.09Å; L149-S152 PolarHBondContact O-N 3.43Å; S152-A155 PolarHBondContact O-N 3.15Å; S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 2.76Å
153H80.6Confident78.6Confident119 Ų11994.5 Ų94.555%0.55150%0.499SS*.Hα-helixtrans-66-48175.1-166.4-58000111.3L149 L150 A155 K156 T157L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-N 2.79Å; L150-H153 PolarHBondContact O-N 3.36Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.23Å; H153-K156 CarbonylContact O-C 3.54Å; H153-K156 PolarHBondContact O-N 3.13Å; H153-K156 VanDerWaalsContact O-N 3.14Å; H153-T157 PolarHBondContact CE1-OG1 3.18Å; H153-T157 VanDerWaalsContact CE1-OG1 3.27Å; H153-T157 PolarHBondContact ND1-OG1 3.2Å; H153-T157 WeakPolarHBondContact O-CB 3.44Å; H153-T157 PolarHBondContact O-N 3.03Å; H153-T157 PolarHBondContact O-OG1 2.93Å
154Q79.3Confident78.7Confident121 Ų12197.1 Ų97.157%0.56552%0.515SS*.Hα-helixtrans-59-43175.5-76-176.6-4800111.4L150 K156 T157 S158L150-Q154 WeakPolarHBondContact O-CB 3.39Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3.22Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.32Å; Q154-T157 PolarHBondContact O-N 3.35Å; Q154-S158 WeakPolarHBondContact O-CB 3.46Å; Q154-S158 PolarHBondContact O-N 2.93Å; Q154-S158 PolarHBondContact O-OG 2.89Å
155A81.6Confident79Confident54 Ų54101.2 Ų101.245%0.44653%0.526SS..Hα-helixtrans-64.4-35.3175.600000113.1A151 S152 H153 K159A151-A155 VanDerWaalsContact O-CB 3.28Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 3.32Å; S152-A155 PolarHBondContact O-N 3.15Å; H153-A155 VanDerWaalsContact C-N 3.33Å; H153-A155 PolarHBondContact O-N 3.23Å; A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.39Å; A155-K159 PolarHBondContact O-N 3.17Å; A155-K159 VanDerWaalsContact O-N 3.08Å
156K80.9Confident79.1Confident150 Ų150103.8 Ų103.865%0.65253%0.533SS*.Hα-helixtrans-69.9-43.9172.3-75.5177.9178.8-171.80112.1S152 H153 Q154 K159 S160S152-K156 WeakPolarHBondContact O-CB 3.44Å; S152-K156 WeakPolarHBondContact O-CG 3.22Å; S152-K156 PolarHBondContact O-N 2.76Å; H153-K156 CarbonylContact O-C 3.54Å; H153-K156 PolarHBondContact O-N 3.13Å; H153-K156 VanDerWaalsContact O-N 3.14Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.32Å; K156-K159 PolarHBondContact O-N 3.43Å; K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 2.89Å
157T79.3Confident79.2Confident62 Ų62104.3 Ų104.338%0.3853%0.53SS..Hα-helixtrans-65.6-44.5177.7-53.30000111H153 Q154 S160 V161H153-T157 PolarHBondContact CE1-OG1 3.18Å; H153-T157 VanDerWaalsContact CE1-OG1 3.27Å; H153-T157 PolarHBondContact ND1-OG1 3.2Å; H153-T157 WeakPolarHBondContact O-CB 3.44Å; H153-T157 PolarHBondContact O-N 3.03Å; H153-T157 PolarHBondContact O-OG1 2.93Å; Q154-T157 PolarHBondContact O-N 3.35Å; T157-S160 PolarHBondContact O-N 3.27Å; T157-V161 HydrophobicContact CG2-CG2 4.4Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.27Å; T157-V161 WeakPolarHBondContact O-CG2 3.16Å; T157-V161 PolarHBondContact O-N 2.96Å
158S80.2Confident79.3Confident68 Ų68103.7 Ų103.748%0.47653%0.529SS..Hα-helixtrans-58.8-49.2173.2-690000111.2Q154 S160 V161 D162Q154-S158 WeakPolarHBondContact O-CB 3.46Å; Q154-S158 PolarHBondContact O-N 2.93Å; Q154-S158 PolarHBondContact O-OG 2.89Å; S158-S160 VanDerWaalsContact C-N 3.35Å; S158-S160 PolarHBondContact O-N 3.07Å; S158-V161 CarbonylContact O-C 3.48Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-V161 VanDerWaalsContact O-N 3.13Å; S158-D162 WeakPolarHBondContact O-CB 3.26Å; S158-D162 PolarHBondContact O-N 3.23Å
159K82.9Confident79.5Confident134 Ų134101 Ų10158%0.58352%0.517SS*.Hα-helixtrans-59.3-42.5175.5-78.3-178.2174.3-167.40113.4A155 K156 V161 D162 E163A155-K159 WeakPolarHBondContact O-CB 3.46Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.39Å; A155-K159 PolarHBondContact O-N 3.17Å; A155-K159 VanDerWaalsContact O-N 3.08Å; K156-K159 PolarHBondContact O-N 3.43Å; K159-V161 VanDerWaalsContact C-N 3.32Å; K159-V161 PolarHBondContact O-N 3.05Å; K159-D162 PolarHBondContact O-N 3.47Å; K159-E163 VanDerWaalsContact O-CB 3.28Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.23Å; K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.39Å
160S74.9Confident79.9Confident60 Ų6099.4 Ų99.442%0.4251%0.509SS..Hα-helixtrans-65.6-35.6176.61770000112K156 T157 S158 M164K156-S160 WeakPolarHBondContact O-CB 3.4Å; K156-S160 PolarHBondContact O-N 2.89Å; T157-S160 PolarHBondContact O-N 3.27Å; S158-S160 VanDerWaalsContact C-N 3.35Å; S158-S160 PolarHBondContact O-N 3.07Å; S160-M164 WeakPolarHBondContact O-CB 3.44Å; S160-M164 VanDerWaalsContact O-CG 3.31Å; S160-M164 WeakPolarHBondContact O-CG 2.97Å; S160-M164 PolarHBondContact O-N 3.07Å
161V76.3Confident79.8Confident51 Ų5198.3 Ų98.331%0.30950%0.503SS..Hα-helixtrans-71.2-40.2173.7166.60000111.4T157 S158 K159 E163 M164 Y165T157-V161 HydrophobicContact CG2-CG2 4.4Å; T157-V161 WeakPolarHBondContact O-CB 3.44Å; T157-V161 VanDerWaalsContact O-CG2 3.27Å; T157-V161 WeakPolarHBondContact O-CG2 3.16Å; T157-V161 PolarHBondContact O-N 2.96Å; S158-V161 CarbonylContact O-C 3.48Å; S158-V161 PolarHBondContact O-N 3.41Å; S158-V161 VanDerWaalsContact O-N 3.13Å; K159-V161 VanDerWaalsContact C-N 3.32Å; K159-V161 PolarHBondContact O-N 3.05Å; V161-E163 VanDerWaalsContact C-N 3.35Å; V161-M164 HydrophobicContact CG2-CE 4.03Å; V161-M164 PolarHBondContact O-N 2.76Å; V161-Y165 HydrophobicContact CG1-CD2 3.61Å; V161-Y165 HydrophobicContact CG1-CE2 3.41Å; V161-Y165 VanDerWaalsContact CG1-CE2 3.41Å; V161-Y165 WeakPolarHBondContact O-CB 3.26Å; V161-Y165 WeakPolarHBondContact O-CD2 3.45Å; V161-Y165 PolarHBondContact O-N 2.84Å
162D81Confident80Confident100 Ų100100.5 Ų100.554%0.53550%0.503SS..Hα-helixtrans-64.3-39.9173.5-63.8-31.2000111S158 K159 Y165 K166S158-D162 WeakPolarHBondContact O-CB 3.26Å; S158-D162 PolarHBondContact O-N 3.23Å; K159-D162 PolarHBondContact O-N 3.47Å; D162-Y165 PolarHBondContact O-N 3.12Å; D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.14Å
163E79.2Confident80.3Confident131 Ų131103 Ų10361%0.61251%0.508SS*.Hα-helixtrans-66.9-40.1173.6-76.1165.4-170.900111.5K159 V161 K166 K167K159-E163 VanDerWaalsContact O-CB 3.28Å; K159-E163 WeakPolarHBondContact O-CB 3.41Å; K159-E163 VanDerWaalsContact O-CG 3.23Å; K159-E163 WeakPolarHBondContact O-CG 3.3Å; K159-E163 PolarHBondContact O-N 3.39Å; V161-E163 VanDerWaalsContact C-N 3.35Å; E163-K166 PolarHBondContact O-N 3.38Å; E163-K167 WeakPolarHBondContact O-CB 3.11Å; E163-K167 PolarHBondContact O-N 3.45Å
164M77.9Confident80.3Confident118 Ų118101.4 Ų101.458%0.58151%0.507SS*.Hα-helixtrans-66.3-43.1172.1-77-166-5400112.5S160 V161 K166 K167 L168S160-M164 WeakPolarHBondContact O-CB 3.44Å; S160-M164 VanDerWaalsContact O-CG 3.31Å; S160-M164 WeakPolarHBondContact O-CG 2.97Å; S160-M164 PolarHBondContact O-N 3.07Å; V161-M164 HydrophobicContact CG2-CE 4.03Å; V161-M164 PolarHBondContact O-N 2.76Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.33Å; M164-K167 PolarHBondContact O-N 3.35Å; M164-L168 VanDerWaalsContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CB 3.47Å; M164-L168 PolarHBondContact O-N 3.22Å
165Y82.5Confident80.5Confident159 Ų159101.6 Ų101.662%0.62451%0.506SS*.Hα-helixtrans-63.1-40174.6-82.2-57.1000111.4V161 D162 L168 E169V161-Y165 HydrophobicContact CG1-CD2 3.61Å; V161-Y165 HydrophobicContact CG1-CE2 3.41Å; V161-Y165 VanDerWaalsContact CG1-CE2 3.41Å; V161-Y165 WeakPolarHBondContact O-CB 3.26Å; V161-Y165 WeakPolarHBondContact O-CD2 3.45Å; V161-Y165 PolarHBondContact O-N 2.84Å; D162-Y165 PolarHBondContact O-N 3.12Å; Y165-L168 PolarHBondContact O-N 3.34Å; Y165-E169 WeakPolarHBondContact O-CB 3.44Å; Y165-E169 PolarHBondContact O-N 2.94Å
166K84.5Confident80.6Confident152 Ų152103.4 Ų103.466%0.66151%0.508SS*.Hα-helixtrans-68.8-35.3176.1-169.4174.2-177.3-178.30112.5D162 E163 M164 L170D162-K166 WeakPolarHBondContact O-CB 3.45Å; D162-K166 PolarHBondContact O-N 3.14Å; E163-K166 PolarHBondContact O-N 3.38Å; M164-K166 VanDerWaalsContact C-N 3.31Å; M164-K166 PolarHBondContact O-N 3.33Å; K166-L170 WeakPolarHBondContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.37Å
167K77.5Confident80.7Confident127 Ų127101.4 Ų101.455%0.55250%0.501SS*.Hα-helixtrans-67.3-48.5171.8-165.4-169.4170.7-1710110.6E163 M164 E169 L170 D171E163-K167 WeakPolarHBondContact O-CB 3.11Å; E163-K167 PolarHBondContact O-N 3.45Å; M164-K167 PolarHBondContact O-N 3.35Å; K167-E169 PolarHBondContact O-N 3.09Å; K167-L170 CarbonylContact O-C 3.57Å; K167-L170 WeakPolarHBondContact O-CA 3.32Å; K167-L170 WeakPolarHBondContact O-CB 3.4Å; K167-L170 PolarHBondContact O-N 3.46Å; K167-D171 WeakPolarHBondContact CE-OD2 3.41Å; K167-D171 WeakPolarHBondContact O-CB 3.47Å; K167-D171 PolarHBondContact O-N 3.03Å
168L79.1Confident80.6Confident89 Ų89103.1 Ų103.147%0.46651%0.507SS..Hα-helixtrans-57.4-35.8176.5-178.364.4000112.4M164 Y165 K172M164-L168 VanDerWaalsContact O-CB 3.3Å; M164-L168 WeakPolarHBondContact O-CB 3.47Å; M164-L168 PolarHBondContact O-N 3.22Å; Y165-L168 PolarHBondContact O-N 3.34Å; L168-K172 WeakPolarHBondContact O-CB 3.49Å; L168-K172 VanDerWaalsContact O-CG 3.3Å; L168-K172 WeakPolarHBondContact O-CG 3.43Å; L168-K172 PolarHBondContact O-N 3.26Å
169E82.7Confident80.8Confident88 Ų88103.4 Ų103.441%0.41150%0.501SS..Hα-helixtrans-73.9-35.7175.4-162.565.8-173.700112.6Y165 K167 K172 Q173Y165-E169 WeakPolarHBondContact O-CB 3.44Å; Y165-E169 PolarHBondContact O-N 2.94Å; K167-E169 PolarHBondContact O-N 3.09Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.88Å; E169-Q173 WeakPolarHBondContact O-CB 3.48Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.83Å
170L84.9Confident80.9Confident89 Ų89103 Ų10347%0.46650%0.496SS..Hα-helixtrans-67.1-40.6170.5-81.7163.3000112.3K166 K167 Q173 T174K166-L170 WeakPolarHBondContact O-CB 3.26Å; K166-L170 WeakPolarHBondContact O-CG 3.45Å; K166-L170 PolarHBondContact O-N 3.37Å; K167-L170 CarbonylContact O-C 3.57Å; K167-L170 WeakPolarHBondContact O-CA 3.32Å; K167-L170 WeakPolarHBondContact O-CB 3.4Å; K167-L170 PolarHBondContact O-N 3.46Å; L170-Q173 PolarHBondContact O-N 3.21Å; L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 2.85Å; L170-T174 PolarHBondContact O-OG1 3.28Å
171D74.8Confident81.2Confident81 Ų81104.3 Ų104.343%0.43350%0.498SS..Hα-helixtrans-67.1-38.6178.2-64-19.6000110K167 K175K167-D171 WeakPolarHBondContact CE-OD2 3.41Å; K167-D171 WeakPolarHBondContact O-CB 3.47Å; K167-D171 PolarHBondContact O-N 3.03Å; D171-K175 WeakPolarHBondContact O-CB 3.44Å; D171-K175 PolarHBondContact O-N 3.18Å
172K82.5Confident81.3Confident100 Ų100107.8 Ų107.844%0.43551%0.51SS..Hα-helixtrans-62.4-49.2168.3-77.4-179.5-151.71550112.7L168 E169 T174 K175 D176L168-K172 WeakPolarHBondContact O-CB 3.49Å; L168-K172 VanDerWaalsContact O-CG 3.3Å; L168-K172 WeakPolarHBondContact O-CG 3.43Å; L168-K172 PolarHBondContact O-N 3.26Å; E169-K172 IonicContact OE2-NZ 2.68Å; E169-K172 PolarHBondContact OE2-NZ 2.88Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.87Å; K172-K175 PolarHBondContact O-N 3.21Å; K172-K175 VanDerWaalsContact O-N 3.14Å; K172-D176 WeakPolarHBondContact O-CB 3.35Å; K172-D176 PolarHBondContact O-N 2.97Å
173Q84.2Confident81.6Confident109 Ų109110.8 Ų110.851%0.50951%0.513SS..Hα-helixtrans-60.4-41.6179.2-76.7174.99.200110.9E169 L170 D176 E177E169-Q173 WeakPolarHBondContact O-CB 3.48Å; E169-Q173 VanDerWaalsContact O-CG 3.3Å; E169-Q173 WeakPolarHBondContact O-CG 3.39Å; E169-Q173 PolarHBondContact O-N 2.83Å; L170-Q173 PolarHBondContact O-N 3.21Å; Q173-D176 PolarHBondContact O-N 2.87Å; Q173-E177 VanDerWaalsContact O-CB 3.26Å; Q173-E177 WeakPolarHBondContact O-CB 3.37Å; Q173-E177 PolarHBondContact O-N 2.67Å
174T80.8Confident82Confident86 Ų86110.9 Ų110.953%0.52851%0.508SS..Hα-helixtrans-62.8-41.9174.7-53.20000111.2L170 K172 E177 L178L170-T174 WeakPolarHBondContact O-CB 3.38Å; L170-T174 PolarHBondContact O-N 2.85Å; L170-T174 PolarHBondContact O-OG1 3.28Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.87Å; T174-E177 PolarHBondContact O-N 2.94Å; T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 2.85Å
175K82.3Confident82.2Confident126 Ų126109.8 Ų109.855%0.54850%0.504SS..Hα-helixtrans-64.7-46.2173.8179.3177.7173.9178.30112.5D171 K172 E177 L178 E179D171-K175 WeakPolarHBondContact O-CB 3.44Å; D171-K175 PolarHBondContact O-N 3.18Å; K172-K175 PolarHBondContact O-N 3.21Å; K172-K175 VanDerWaalsContact O-N 3.14Å; K175-E177 PolarHBondContact O-N 3.24Å; K175-L178 PolarHBondContact O-N 3.14Å; K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.41Å; K175-E179 IonicContact NZ-OE1 2.7Å; K175-E179 PolarHBondContact O-N 3.31Å
176D84.8Confident82.1Confident92 Ų92107.6 Ų107.649%0.49250%0.503SS..Hα-helixtrans-64.6-29.6178.7-77.2-5.8000111.6K172 Q173 R180K172-D176 WeakPolarHBondContact O-CB 3.35Å; K172-D176 PolarHBondContact O-N 2.97Å; Q173-D176 PolarHBondContact O-N 2.87Å; D176-R180 VanDerWaalsContact C-NH2 3.34Å; D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 PolarHBondContact O-N 2.76Å; D176-R180 PolarHBondContact O-NH2 3.05Å; D176-R180 VanDerWaalsContact O-NH2 3.08Å
177E81.7Confident82.1Confident107 Ų107103.5 Ų103.550%0.549%0.493SS..Hα-helixtrans-72.6-46.2171.9-160.9122-86.400110.9Q173 T174 K175 E179 R180 D181Q173-E177 VanDerWaalsContact O-CB 3.26Å; Q173-E177 WeakPolarHBondContact O-CB 3.37Å; Q173-E177 PolarHBondContact O-N 2.67Å; T174-E177 PolarHBondContact O-N 2.94Å; K175-E177 PolarHBondContact O-N 3.24Å; E177-E179 PolarHBondContact O-N 2.95Å; E177-R180 CarbonylContact O-C 3.6Å; E177-R180 WeakPolarHBondContact O-CA 3.24Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-R180 IonicContact OE1-CZ 3.9Å; E177-R180 IonicContact OE1-NH1 3.16Å; E177-R180 PolarHBondContact OE1-NH1 3.42Å; E177-D181 PolarHBondContact O-N 3.34Å
178L78.6Confident82.4Confident98 Ų98102.2 Ų102.251%0.51349%0.489SS..Hα-helixtrans-63-40.4176.1-150.479.1000112.1T174 K175 R180 D181 F182T174-L178 WeakPolarHBondContact O-CB 3.33Å; T174-L178 PolarHBondContact O-N 2.85Å; K175-L178 PolarHBondContact O-N 3.14Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 2.89Å; L178-D181 PolarHBondContact O-N 3.34Å; L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 HydrophobicContact CD2-CZ 4.45Å; L178-F182 HydrophobicContact CG-CD2 4.23Å; L178-F182 HydrophobicContact CG-CE2 3.79Å; L178-F182 HydrophobicContact CG-CZ 4.47Å; L178-F182 WeakPolarHBondContact O-CB 3.5Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 WeakPolarHBondContact O-CG 3.43Å; L178-F182 PolarHBondContact O-N 3.11Å
179E83Confident82.5Confident74 Ų74103.5 Ų103.535%0.34649%0.491SS..Hα-helixtrans-64.5-33.5171.6-82.7-160.2-144.900112.2K175 E177 R183K175-E179 VanDerWaalsContact CE-OE1 3.23Å; K175-E179 WeakPolarHBondContact CE-OE1 3.41Å; K175-E179 IonicContact NZ-OE1 2.7Å; K175-E179 PolarHBondContact O-N 3.31Å; E177-E179 PolarHBondContact O-N 2.95Å; E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 WeakPolarHBondContact O-CD 3.35Å; E179-R183 WeakPolarHBondContact O-CG 3.18Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 IonicContact OE2-NE 2.63Å; E179-R183 IonicContact OE2-NH2 3.69Å; E179-R183 PolarHBondContact OE2-NH2 2.99Å; E179-R183 VanDerWaalsContact OE2-NH2 3.16Å
180R86.9Confident82.6Confident125 Ų125104.6 Ų104.647%0.47250%0.496SS..Hα-helixtrans-72.2-41.2177.1-163.1-179-46.5120.717.9111.3D176 E177 L178 R183 R184D176-R180 VanDerWaalsContact C-NH2 3.34Å; D176-R180 VanDerWaalsContact O-CB 3.28Å; D176-R180 WeakPolarHBondContact O-CB 3.3Å; D176-R180 PolarHBondContact O-N 2.76Å; D176-R180 PolarHBondContact O-NH2 3.05Å; D176-R180 VanDerWaalsContact O-NH2 3.08Å; E177-R180 CarbonylContact O-C 3.6Å; E177-R180 WeakPolarHBondContact O-CA 3.24Å; E177-R180 WeakPolarHBondContact O-CB 3.45Å; E177-R180 PolarHBondContact O-N 3.02Å; E177-R180 IonicContact OE1-CZ 3.9Å; E177-R180 IonicContact OE1-NH1 3.16Å; E177-R180 PolarHBondContact OE1-NH1 3.42Å; L178-R180 VanDerWaalsContact C-N 3.3Å; L178-R180 PolarHBondContact O-N 2.89Å; R180-R183 PolarHBondContact O-N 3.26Å; R180-R184 WeakPolarHBondContact O-CB 3.22Å; R180-R184 PolarHBondContact O-N 2.84Å
181D80.9Confident82.6Confident88 Ų88105.8 Ų105.847%0.47150%0.499SS..Hα-helixtrans-66.2-41.8172.8-85.3-9.4000111.8E177 L178 R183 R184 L185E177-D181 PolarHBondContact O-N 3.34Å; L178-D181 PolarHBondContact O-N 3.34Å; D181-R183 PolarHBondContact O-N 3.15Å; D181-R184 PolarHBondContact O-N 3.04Å; D181-L185 VanDerWaalsContact O-CB 3.25Å; D181-L185 WeakPolarHBondContact O-CB 3.27Å; D181-L185 PolarHBondContact O-N 3.36Å
182F78.2Confident83Confident125 Ų125106.1 Ų106.155%0.54850%0.5SS..Hα-helixtrans-62.6-41.3171.9-75.2-50.4000112.1L178 L185 L186L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 HydrophobicContact CD2-CZ 4.45Å; L178-F182 HydrophobicContact CG-CD2 4.23Å; L178-F182 HydrophobicContact CG-CE2 3.79Å; L178-F182 HydrophobicContact CG-CZ 4.47Å; L178-F182 WeakPolarHBondContact O-CB 3.5Å; L178-F182 WeakPolarHBondContact O-CD2 3.43Å; L178-F182 WeakPolarHBondContact O-CG 3.43Å; L178-F182 PolarHBondContact O-N 3.11Å; F182-L185 PolarHBondContact O-N 3.13Å; F182-L186 VanDerWaalsContact O-CB 3.25Å; F182-L186 WeakPolarHBondContact O-CB 3.13Å; F182-L186 WeakPolarHBondContact O-CG 3.43Å; F182-L186 PolarHBondContact O-N 3.28Å
183R87.6Confident82.9Confident162 Ų162104.4 Ų104.461%0.61150%0.495SS*.Hα-helixtrans-64.9-38.9174.4-73.8167.5-163.5-88.4-0.4112.5E179 R180 D181 S187E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 WeakPolarHBondContact O-CD 3.35Å; E179-R183 WeakPolarHBondContact O-CG 3.18Å; E179-R183 PolarHBondContact O-N 3.25Å; E179-R183 IonicContact OE2-NE 2.63Å; E179-R183 IonicContact OE2-NH2 3.69Å; E179-R183 PolarHBondContact OE2-NH2 2.99Å; E179-R183 VanDerWaalsContact OE2-NH2 3.16Å; R180-R183 PolarHBondContact O-N 3.26Å; D181-R183 PolarHBondContact O-N 3.15Å; R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.45Å; R183-S187 PolarHBondContact O-OG 3.34Å
184R85.8Confident82.9Confident133 Ų133103.7 Ų103.750%0.50249%0.49SS..Hα-helixtrans-64.5-50.2174.7178.8-179.2179.3160.13.8110.9R180 D181 L186 S187 E188R180-R184 WeakPolarHBondContact O-CB 3.22Å; R180-R184 PolarHBondContact O-N 2.84Å; D181-R184 PolarHBondContact O-N 3.04Å; R184-L186 VanDerWaalsContact C-N 3.35Å; R184-L186 PolarHBondContact O-N 2.91Å; R184-S187 CarbonylContact O-C 3.2Å; R184-S187 WeakPolarHBondContact O-CA 3.45Å; R184-S187 WeakPolarHBondContact O-CB 3.31Å; R184-S187 PolarHBondContact O-N 2.76Å; R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 IonicContact NE-OE1 2.63Å; R184-E188 PolarHBondContact NE-OE1 3.43Å; R184-E188 VanDerWaalsContact NE-OE1 3.1Å; R184-E188 WeakPolarHBondContact O-CG 3.4Å; R184-E188 PolarHBondContact O-N 3Å
185L83.1Confident83Confident95 Ų95103 Ų10350%0.49749%0.489SS..Hα-helixtrans-63.3-40.1178.8-164.2112.6000111.3D181 F182 S187 E188 K189D181-L185 VanDerWaalsContact O-CB 3.25Å; D181-L185 WeakPolarHBondContact O-CB 3.27Å; D181-L185 PolarHBondContact O-N 3.36Å; F182-L185 PolarHBondContact O-N 3.13Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.77Å; L185-E188 PolarHBondContact O-N 3.07Å; L185-K189 WeakPolarHBondContact O-CB 2.98Å; L185-K189 WeakPolarHBondContact O-CG 3.46Å; L185-K189 PolarHBondContact O-N 3.02Å
186L79.6Confident82.8Confident114 Ų114100.4 Ų100.460%0.59748%0.481SS*.Hα-helixtrans-60.9-41.1171-77168.4000111.7F182 R184 K189 E190F182-L186 VanDerWaalsContact O-CB 3.25Å; F182-L186 WeakPolarHBondContact O-CB 3.13Å; F182-L186 WeakPolarHBondContact O-CG 3.43Å; F182-L186 PolarHBondContact O-N 3.28Å; R184-L186 VanDerWaalsContact C-N 3.35Å; R184-L186 PolarHBondContact O-N 2.91Å; L186-K189 CarbonylContact O-C 3.55Å; L186-K189 PolarHBondContact O-N 3.04Å; L186-E190 WeakPolarHBondContact O-CB 3.44Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.01Å
187S84.7Confident82.5Confident65 Ų65101.8 Ų101.846%0.45548%0.479SS..Hα-helixtrans-66.7-41.4176.7-56.70000112.2R183 R184 L185 E190 E191R183-S187 WeakPolarHBondContact O-CB 3.32Å; R183-S187 PolarHBondContact O-N 3.45Å; R183-S187 PolarHBondContact O-OG 3.34Å; R184-S187 CarbonylContact O-C 3.2Å; R184-S187 WeakPolarHBondContact O-CA 3.45Å; R184-S187 WeakPolarHBondContact O-CB 3.31Å; R184-S187 PolarHBondContact O-N 2.76Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 2.77Å; S187-E190 PolarHBondContact O-N 3.08Å; S187-E191 PolarHBondContact O-N 2.89Å
188E83.9Confident82.5Confident100 Ų100102.6 Ų102.647%0.46749%0.486SS..Hα-helixtrans-65.3-39.2174.3-70.6177.1-162.100111.1R184 L185 E191 I192R184-E188 WeakPolarHBondContact CG-OE1 3.44Å; R184-E188 IonicContact NE-OE1 2.63Å; R184-E188 PolarHBondContact NE-OE1 3.43Å; R184-E188 VanDerWaalsContact NE-OE1 3.1Å; R184-E188 WeakPolarHBondContact O-CG 3.4Å; R184-E188 PolarHBondContact O-N 3Å; L185-E188 PolarHBondContact O-N 3.07Å; E188-E191 PolarHBondContact O-N 3.17Å; E188-I192 WeakPolarHBondContact O-CD1 3.28Å; E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.02Å; E188-I192 PolarHBondContact O-N 3.4Å
189K82Confident82.3Confident116 Ų116103.6 Ų103.650%0.50449%0.488SS..Hα-helixtrans-66.7-36.9171.5-67.5-69.3178.9-177.70112.1L185 L186 I192 I193L185-K189 WeakPolarHBondContact O-CB 2.98Å; L185-K189 WeakPolarHBondContact O-CG 3.46Å; L185-K189 PolarHBondContact O-N 3.02Å; L186-K189 CarbonylContact O-C 3.55Å; L186-K189 PolarHBondContact O-N 3.04Å; K189-I192 PolarHBondContact O-N 2.86Å; K189-I193 WeakPolarHBondContact O-CB 3.22Å; K189-I193 WeakPolarHBondContact O-CD1 3.31Å; K189-I193 WeakPolarHBondContact O-CG1 3.42Å; K189-I193 PolarHBondContact O-N 3.28Å
190E84.6Confident81.7Confident112 Ų112101.6 Ų101.652%0.52348%0.482SS..Hα-helixtrans-64.7-41.4173.5-82.7-158.3161.800112.4L186 S187 I193 K194L186-E190 WeakPolarHBondContact O-CB 3.44Å; L186-E190 WeakPolarHBondContact O-CG 3.41Å; L186-E190 PolarHBondContact O-N 3.01Å; S187-E190 PolarHBondContact O-N 3.08Å; E190-I193 CarbonylContact O-C 3.59Å; E190-I193 PolarHBondContact O-N 3.42Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 VanDerWaalsContact O-CG 3.25Å; E190-K194 WeakPolarHBondContact O-CG 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 IonicContact OE2-NZ 2.81Å
191E84.1Confident81.1Confident114 Ų114100 Ų10053%0.53348%0.483SS..Hα-helixtrans-67.5-37.7174.8-71.2-54.8136.300112.1S187 E188 K194 S195S187-E191 PolarHBondContact O-N 2.89Å; E188-E191 PolarHBondContact O-N 3.17Å; E191-K194 PolarHBondContact O-N 2.86Å; E191-K194 WeakPolarHBondContact OE1-CD 3.34Å; E191-K194 IonicContact OE1-NZ 2.95Å; E191-K194 PolarHBondContact OE1-NZ 2.78Å; E191-S195 WeakPolarHBondContact O-CB 3.08Å; E191-S195 PolarHBondContact O-N 3.41Å
192I83Confident80.8Confident88 Ų88101.3 Ų101.345%0.45149%0.486SS..Hα-helixtrans-61.7-44170.2-69.4164.2000110.5E188 K189 S195 L196E188-I192 WeakPolarHBondContact O-CD1 3.28Å; E188-I192 VanDerWaalsContact O-CG1 3.28Å; E188-I192 WeakPolarHBondContact O-CG1 3.02Å; E188-I192 PolarHBondContact O-N 3.4Å; K189-I192 PolarHBondContact O-N 2.86Å; I192-S195 PolarHBondContact O-N 2.68Å; I192-L196 HydrophobicContact CG2-CD1 3.82Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.42Å; I192-L196 WeakPolarHBondContact O-CG 3.33Å; I192-L196 PolarHBondContact O-N 2.92Å
193I80.6Confident80.5Confident64 Ų64101.5 Ų101.533%0.32849%0.489SS..Hα-helixtrans-65.4-37.7176.6-73.1164.5000111.4K189 E190 R197K189-I193 WeakPolarHBondContact O-CB 3.22Å; K189-I193 WeakPolarHBondContact O-CD1 3.31Å; K189-I193 WeakPolarHBondContact O-CG1 3.42Å; K189-I193 PolarHBondContact O-N 3.28Å; E190-I193 CarbonylContact O-C 3.59Å; E190-I193 PolarHBondContact O-N 3.42Å; I193-R197 HydrophobicContact CG2-CG 4.4Å; I193-R197 VanDerWaalsContact CG2-CZ 3.5Å; I193-R197 VanDerWaalsContact CG2-NE 3.31Å; I193-R197 VanDerWaalsContact O-CB 3.26Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.41Å; I193-R197 PolarHBondContact O-N 2.96Å
194K85.8Confident79.7Confident93 Ų9397.6 Ų97.640%0.40448%0.48SS..Hα-helixtrans-63.4-46.5172.9-73163.8-158.2165.80110.5E190 E191 R197 L198E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 VanDerWaalsContact O-CG 3.25Å; E190-K194 WeakPolarHBondContact O-CG 3.43Å; E190-K194 PolarHBondContact O-N 2.93Å; E190-K194 IonicContact OE2-NZ 2.81Å; E191-K194 PolarHBondContact O-N 2.86Å; E191-K194 WeakPolarHBondContact OE1-CD 3.34Å; E191-K194 IonicContact OE1-NZ 2.95Å; E191-K194 PolarHBondContact OE1-NZ 2.78Å; K194-R197 PolarHBondContact O-N 3.17Å; K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.09Å
195S81.9Confident79Confident73 Ų7395.1 Ų95.151%0.5148%0.476SS..Hα-helixtrans-61.8-48.5177.6-170.90000112.2E191 I192 L198 Q199E191-S195 WeakPolarHBondContact O-CB 3.08Å; E191-S195 PolarHBondContact O-N 3.41Å; I192-S195 PolarHBondContact O-N 2.68Å; S195-L198 PolarHBondContact O-N 3.44Å; S195-Q199 WeakPolarHBondContact O-CB 3.5Å; S195-Q199 PolarHBondContact O-N 3.46Å
196L77.8Confident78.5Confident70 Ų7094.8 Ų94.837%0.36648%0.475SS..Hα-helixtrans-64.2-40.2177.1-71.6173.6000112.1I192 Q199 C200I192-L196 HydrophobicContact CG2-CD1 3.82Å; I192-L196 HydrophobicContact CG2-CG 4.3Å; I192-L196 WeakPolarHBondContact O-CB 3.42Å; I192-L196 WeakPolarHBondContact O-CG 3.33Å; I192-L196 PolarHBondContact O-N 2.92Å; L196-Q199 PolarHBondContact O-N 3.37Å; L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 3.37Å
197R78.1Confident78.1Confident121 Ų12195.1 Ų95.146%0.45747%0.471SS..Hα-helixtrans-61.1-47.8171.7-76.1173.6-170.1179.18.8111.1I193 K194 Q199 C200 D201I193-R197 HydrophobicContact CG2-CG 4.4Å; I193-R197 VanDerWaalsContact CG2-CZ 3.5Å; I193-R197 VanDerWaalsContact CG2-NE 3.31Å; I193-R197 VanDerWaalsContact O-CB 3.26Å; I193-R197 WeakPolarHBondContact O-CB 3.48Å; I193-R197 WeakPolarHBondContact O-CG 3.41Å; I193-R197 PolarHBondContact O-N 2.96Å; K194-R197 PolarHBondContact O-N 3.17Å; R197-Q199 VanDerWaalsContact C-N 3.26Å; R197-Q199 PolarHBondContact O-N 3.31Å; R197-C200 CarbonylContact O-C 3.6Å; R197-C200 PolarHBondContact O-N 3.1Å; R197-D201 WeakPolarHBondContact O-CB 3.42Å; R197-D201 PolarHBondContact O-N 2.93Å
198L81.9Confident76.9Confident125 Ų12596.9 Ų96.965%0.65448%0.475SS*.Hα-helixtrans-61.8-35.2179.1-149.5115.6000112K194 S195 Q202K194-L198 WeakPolarHBondContact O-CB 3.44Å; K194-L198 PolarHBondContact O-N 3.09Å; S195-L198 PolarHBondContact O-N 3.44Å; L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 3.4Å
199Q75.5Confident76.1Confident118 Ų118100.7 Ų100.755%0.55149%0.485SS*.Hα-helixtrans-73.4-41.3175.8-168.4169.50.300112.2S195 L196 R197 Q202 Q203S195-Q199 WeakPolarHBondContact O-CB 3.5Å; S195-Q199 PolarHBondContact O-N 3.46Å; L196-Q199 PolarHBondContact O-N 3.37Å; R197-Q199 VanDerWaalsContact C-N 3.26Å; R197-Q199 PolarHBondContact O-N 3.31Å; Q199-Q202 PolarHBondContact O-N 2.87Å; Q199-Q203 WeakPolarHBondContact O-CB 3.45Å; Q199-Q203 PolarHBondContact O-N 3.45Å
200C69.2Low75.3Confident32 Ų3298.3 Ų98.322%0.21648%0.483CS..Hα-helixtrans-63.4-41.4171.3-75.50000111.9L196 R197 Q203 N204L196-C200 WeakPolarHBondContact O-CB 3.35Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 3.37Å; R197-C200 CarbonylContact O-C 3.6Å; R197-C200 PolarHBondContact O-N 3.1Å; C200-Q203 PolarHBondContact O-N 3.07Å; C200-N204 VanDerWaalsContact O-CB 3.25Å; C200-N204 WeakPolarHBondContact O-CB 3.02Å; C200-N204 PolarHBondContact O-N 2.95Å; C200-N204 PolarHBondContact O-ND2 3.44Å
201D75.3Confident73.8Confident91 Ų9197.5 Ų97.549%0.48748%0.48SS..Hα-helixtrans-62.7-45.3174.6-70.7-26.3000110.1R197 Q203 N204 I205R197-D201 WeakPolarHBondContact O-CB 3.42Å; R197-D201 PolarHBondContact O-N 2.93Å; D201-Q203 VanDerWaalsContact C-N 3.32Å; D201-Q203 PolarHBondContact O-N 3.48Å; D201-N204 PolarHBondContact O-N 3.12Å; D201-I205 VanDerWaalsContact O-CB 3.22Å; D201-I205 WeakPolarHBondContact O-CB 3.4Å; D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.35Å; D201-I205 PolarHBondContact O-N 2.57Å
202Q74.5Confident72.4Confident116 Ų11696.8 Ų96.854%0.54248%0.479SS..Hα-helixtrans-60.2-40.3174.7-163.475.113.100112.1L198 Q199 N206L198-Q202 WeakPolarHBondContact O-CB 3.3Å; L198-Q202 PolarHBondContact O-N 3.4Å; Q199-Q202 PolarHBondContact O-N 2.87Å; Q202-N206 VanDerWaalsContact O-CG 3.24Å; Q202-N206 PolarHBondContact O-N 2.97Å; Q202-N206 VanDerWaalsContact O-N 3.1Å; Q202-N206 PolarHBondContact O-ND2 2.97Å
203Q72.1Confident71.2Confident129 Ų12995.7 Ų95.760%0.60348%0.483SS*.Hα-helixtrans-75.4-39.3-179.3-166.9167.41.100112.4Q199 C200 D201 N206 K207Q199-Q203 WeakPolarHBondContact O-CB 3.45Å; Q199-Q203 PolarHBondContact O-N 3.45Å; C200-Q203 PolarHBondContact O-N 3.07Å; D201-Q203 VanDerWaalsContact C-N 3.32Å; D201-Q203 PolarHBondContact O-N 3.48Å; Q203-N206 WeakPolarHBondContact O-CB 3.37Å; Q203-N206 PolarHBondContact O-N 3.41Å; Q203-K207 PolarHBondContact O-N 3.35Å
204N70Confident69.8Low80 Ų8098.9 Ų98.943%0.42850%0.501SS..Hα-helixtrans-67.4-39.9172.2-77.7-22.8000111.5C200 D201 N206 K207 L208C200-N204 VanDerWaalsContact O-CB 3.25Å; C200-N204 WeakPolarHBondContact O-CB 3.02Å; C200-N204 PolarHBondContact O-N 2.95Å; C200-N204 PolarHBondContact O-ND2 3.44Å; D201-N204 PolarHBondContact O-N 3.12Å; N204-N206 PolarHBondContact O-N 3.49Å; N204-K207 PolarHBondContact O-N 2.66Å; N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.24Å; N204-L208 WeakPolarHBondContact O-CG 3.19Å; N204-L208 PolarHBondContact O-N 2.97Å
205I72.1Confident68.3Low81 Ų8197.2 Ų97.242%0.41550%0.501SS..Hα-helixtrans-60.9-35.7172-73.7165.2000110.9D201 R209D201-I205 VanDerWaalsContact O-CB 3.22Å; D201-I205 WeakPolarHBondContact O-CB 3.4Å; D201-I205 WeakPolarHBondContact O-CD1 3.2Å; D201-I205 WeakPolarHBondContact O-CG1 3.35Å; D201-I205 PolarHBondContact O-N 2.57Å; I205-R209 VanDerWaalsContact O-CB 3.23Å; I205-R209 WeakPolarHBondContact O-CB 2.97Å; I205-R209 WeakPolarHBondContact O-CG 3.43Å; I205-R209 PolarHBondContact O-N 3.46Å
206N71.7Confident66.8Low89 Ų89100.6 Ų100.648%0.47651%0.506SS..Hα-helixtrans-70.9-44.5174.1-72.6-27.6000112.3Q202 Q203 N204 R209 S210Q202-N206 VanDerWaalsContact O-CG 3.24Å; Q202-N206 PolarHBondContact O-N 2.97Å; Q202-N206 VanDerWaalsContact O-N 3.1Å; Q202-N206 PolarHBondContact O-ND2 2.97Å; Q203-N206 WeakPolarHBondContact O-CB 3.37Å; Q203-N206 PolarHBondContact O-N 3.41Å; N204-N206 PolarHBondContact O-N 3.49Å; N206-R209 WeakPolarHBondContact O-CB 3.41Å; N206-R209 PolarHBondContact O-N 3.39Å; N206-R209 VanDerWaalsContact O-N 3.17Å; N206-S210 PolarHBondContact O-N 2.76Å; N206-S210 VanDerWaalsContact O-N 3.16Å; N206-S210 PolarHBondContact O-OG 2.87Å
207K70.9Confident65.4Low120 Ų120104.9 Ų104.952%0.52253%0.529SS..Hα-helixtrans-63.7-47.7177.1-176.2176.3171.6-177.30112Q203 N204 R209 S210 E211Q203-K207 PolarHBondContact O-N 3.35Å; N204-K207 PolarHBondContact O-N 2.66Å; K207-R209 PolarHBondContact O-N 3.11Å; K207-S210 PolarHBondContact O-N 2.84Å; K207-S210 VanDerWaalsContact O-N 3.13Å; K207-S210 PolarHBondContact O-OG 3.05Å; K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 WeakPolarHBondContact CG-OE1 3.29Å; K207-E211 IonicContact NZ-OE1 3.13Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 2.76Å
208L59.7Low64.4Low103 Ų103102.3 Ų102.354%0.53953%0.529SS..Hα-helixtrans-62.3-29172.2-69.2170.8000112.1N204 L212N204-L208 WeakPolarHBondContact O-CB 3.48Å; N204-L208 VanDerWaalsContact O-CG 3.24Å; N204-L208 WeakPolarHBondContact O-CG 3.19Å; N204-L208 PolarHBondContact O-N 2.97Å; L208-L212 WeakPolarHBondContact O-CA 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.36Å
209R66.7Low62.8Low179 Ų179102.3 Ų102.368%0.67553%0.526SS*.Hα-helixtrans-69-35.3172.7-89.4176.6176.4-163.81.3113.3I205 N206 K207 A213I205-R209 VanDerWaalsContact O-CB 3.23Å; I205-R209 WeakPolarHBondContact O-CB 2.97Å; I205-R209 WeakPolarHBondContact O-CG 3.43Å; I205-R209 PolarHBondContact O-N 3.46Å; N206-R209 WeakPolarHBondContact O-CB 3.41Å; N206-R209 PolarHBondContact O-N 3.39Å; N206-R209 VanDerWaalsContact O-N 3.17Å; K207-R209 PolarHBondContact O-N 3.11Å; R209-A213 PolarHBondContact O-N 2.82Å
210S65.3Low62Low67 Ų6799.8 Ų99.847%0.46953%0.525SS..Hα-helixtrans-67.9-51.2169.128.40000111.1N206 K207 L212 A213 D214N206-S210 PolarHBondContact O-N 2.76Å; N206-S210 VanDerWaalsContact O-N 3.16Å; N206-S210 PolarHBondContact O-OG 2.87Å; K207-S210 PolarHBondContact O-N 2.84Å; K207-S210 VanDerWaalsContact O-N 3.13Å; K207-S210 PolarHBondContact O-OG 3.05Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.43Å; S210-A213 VanDerWaalsContact O-CB 3.31Å; S210-A213 WeakPolarHBondContact O-CB 3.05Å; S210-A213 PolarHBondContact O-N 3.38Å; S210-D214 PolarHBondContact O-N 2.94Å
211E52.9Low61.3Low95 Ų95100.9 Ų100.944%0.44454%0.537SS..Hα-helixtrans-65.9-33.2-175.7-68.2164.8175.600112.3K207 A213 S215K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 WeakPolarHBondContact CG-OE1 3.29Å; K207-E211 IonicContact NZ-OE1 3.13Å; K207-E211 WeakPolarHBondContact O-CG 3.45Å; K207-E211 PolarHBondContact O-N 2.76Å; E211-A213 VanDerWaalsContact C-N 3.34Å; E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.38Å
212L55Low60.3Low99 Ų99101.2 Ų101.252%0.51854%0.538SS..Hα-helixtrans-77.8-14.2174.1-170.762.3000113.6L208 S210 K216L208-L212 WeakPolarHBondContact O-CA 3.41Å; L208-L212 WeakPolarHBondContact O-CB 3.43Å; L208-L212 PolarHBondContact O-N 3.36Å; S210-L212 VanDerWaalsContact C-N 3.32Å; S210-L212 PolarHBondContact O-N 3.43Å; L212-K216 WeakPolarHBondContact O-CG 3.3Å
213A57.5Low59.4Low65 Ų65102.7 Ų102.754%0.53755%0.545SS..Hα-helixtrans-72.2-46.1169.900000110.3R209 S210 E211R209-A213 PolarHBondContact O-N 2.82Å; S210-A213 VanDerWaalsContact O-CB 3.31Å; S210-A213 WeakPolarHBondContact O-CB 3.05Å; S210-A213 PolarHBondContact O-N 3.38Å; E211-A213 VanDerWaalsContact C-N 3.34Å
214D51.9Low58.8Low131 Ų131103.5 Ų103.570%0.70155%0.548SS*.Hα-helixtrans-79.7-39.3-178.9-63.2-31.6000112.4S210 K216 L217S210-D214 PolarHBondContact O-N 2.94Å; D214-K216 PolarHBondContact O-N 3.46Å; D214-K216 VanDerWaalsContact O-N 3.12Å; D214-L217 PolarHBondContact O-N 3.23Å; D214-L217 VanDerWaalsContact O-N 3.12Å
215S54.9Low57.8Low58 Ų58105.7 Ų105.741%0.40656%0.556SS.*Hα-helixtrans-58.8-27.5-178.91790000113.9E211 L217 S218 Q219E211-S215 WeakPolarHBondContact O-CB 3.48Å; E211-S215 PolarHBondContact O-N 3.38Å; S215-L217 PolarHBondContact O-N 3.13Å; S215-L217 VanDerWaalsContact O-N 3.11Å; S215-S218 PolarHBondContact O-N 3.47Å; S215-Q219 PolarHBondContact O-N 3.12Å
216K50.6Low56.9Low144 Ų144105.8 Ų105.863%0.62656%0.56SS**Hα-helixtrans-60.7-20.3177-83.5-179178.3-178.20114.7L212 D214L212-K216 WeakPolarHBondContact O-CG 3.3Å; D214-K216 PolarHBondContact O-N 3.46Å; D214-K216 VanDerWaalsContact O-N 3.12Å
217L48Very low56.4Low160 Ų160108.5 Ų108.584%0.83857%0.57SS**Hα-helixtrans-83.8-24.7174-155.569000112.5D214 S215D214-L217 PolarHBondContact O-N 3.23Å; D214-L217 VanDerWaalsContact O-N 3.12Å; S215-L217 PolarHBondContact O-N 3.13Å; S215-L217 VanDerWaalsContact O-N 3.11Å
218S56.8Low55.5Low67 Ų67106.9 Ų106.947%0.46957%0.573SS.*Hα-helixtrans-87.8-32.8-180-168.30000113.1S215 A220 A221 L222S215-S218 PolarHBondContact O-N 3.47Å; S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.09Å; S218-A221 PolarHBondContact O-N 3.11Å; S218-L222 PolarHBondContact O-N 3.09Å
219Q49.2Very low54.9Low125 Ų125106.8 Ų106.858%0.58457%0.572SS**Hα-helixtrans-58-29.3-176.6-167.2170.93300113.8S215 Q223S215-Q219 PolarHBondContact O-N 3.12Å; Q219-Q223 PolarHBondContact O-N 3.42Å
220A58.1Low53.9Low65 Ų65105.8 Ų105.854%0.53757%0.573SS.*Hα-helixtrans-69.3-41.2175.600000113S218 Q223 E224S218-A220 PolarHBondContact O-N 3.12Å; S218-A220 VanDerWaalsContact O-N 3.09Å; A220-Q223 PolarHBondContact O-N 3.01Å; A220-E224 PolarHBondContact O-N 2.93Å
221A54.8Low53.2Low55 Ų55106.1 Ų106.146%0.45558%0.58SS.*Hα-helixtrans-68.4-38.9-178.800000112.1S218 Q223 E224 Q225S218-A221 PolarHBondContact O-N 3.11Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.31Å; A221-E224 PolarHBondContact O-N 3.03Å; A221-Q225 PolarHBondContact O-N 3.45Å
222L53Low52.8Low98 Ų98108.5 Ų108.551%0.51359%0.591SS.*Hα-helixtrans-64.1-34.6173.5-78.1165.1000112.3S218 E224 Q225 V226S218-L222 PolarHBondContact O-N 3.09Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 3.46Å; L222-Q225 PolarHBondContact O-N 3.46Å; L222-V226 WeakPolarHBondContact O-CB 3.19Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 2.96Å; L222-V226 PolarHBondContact O-N 3.26Å
223Q57.4Low52Low146 Ų146111 Ų11168%0.68260%0.598SS**Hα-helixtrans-66.9-32-178.4-159165.728.200112.5Q219 A220 A221 Q227Q219-Q223 PolarHBondContact O-N 3.42Å; A220-Q223 PolarHBondContact O-N 3.01Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.31Å; Q223-Q227 PolarHBondContact O-N 3.3Å
224E57.7Low51.1Low146 Ų146117.4 Ų117.468%0.68261%0.61SS**Hα-helixtrans-77.5-42.2177.4-154.5163.2-139.100111.7A220 A221 L222 Q227 C228A220-E224 PolarHBondContact O-N 2.93Å; A221-E224 PolarHBondContact O-N 3.03Å; L222-E224 VanDerWaalsContact C-N 3.3Å; L222-E224 PolarHBondContact O-N 3.46Å; E224-Q227 WeakPolarHBondContact O-CB 3.25Å; E224-Q227 PolarHBondContact O-N 3.44Å; E224-Q227 VanDerWaalsContact O-N 3.1Å; E224-C228 PolarHBondContact O-N 3.4Å; E224-C228 VanDerWaalsContact O-N 3.14Å
225Q50.5Low50.4Low126 Ų126116.4 Ų116.459%0.58961%0.613SS**Hα-helixtrans-63.6-42174.9-69.4-175.6-4.700112.7A221 L222 Q227 C228 L229A221-Q225 PolarHBondContact O-N 3.45Å; L222-Q225 PolarHBondContact O-N 3.46Å; Q225-Q227 PolarHBondContact O-N 3.31Å; Q225-C228 PolarHBondContact O-N 3.37Å; Q225-L229 PolarHBondContact O-N 3.14Å
226V51.6Low49.2Very low84 Ų84120.5 Ų120.551%0.50963%0.63SS.*Hα-helixtrans-62.3-27.3174.1168.70000111.8L222 K230L222-V226 WeakPolarHBondContact O-CB 3.19Å; L222-V226 VanDerWaalsContact O-CG2 3.25Å; L222-V226 WeakPolarHBondContact O-CG2 2.96Å; L222-V226 PolarHBondContact O-N 3.26Å; V226-K230 WeakPolarHBondContact O-CB 3.23Å; V226-K230 PolarHBondContact O-N 3.25Å
227Q61.6Low48.2Very low145 Ų145118.8 Ų118.868%0.67864%0.636SS**Hα-helixtrans-77.6-36.2176.9-162.4164.810.100112.7Q223 E224 Q225Q223-Q227 PolarHBondContact O-N 3.3Å; E224-Q227 WeakPolarHBondContact O-CB 3.25Å; E224-Q227 PolarHBondContact O-N 3.44Å; E224-Q227 VanDerWaalsContact O-N 3.1Å; Q225-Q227 PolarHBondContact O-N 3.31Å
228C52.6Low47.3Very low86 Ų86116.2 Ų116.258%0.58163%0.632SS**Hα-helixtrans-66.7-45.1171-78.30000112.6E224 Q225 K230 A231E224-C228 PolarHBondContact O-N 3.4Å; E224-C228 VanDerWaalsContact O-N 3.14Å; Q225-C228 PolarHBondContact O-N 3.37Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.1Å; C228-A231 WeakPolarHBondContact O-CB 3.38Å; C228-A231 PolarHBondContact O-N 2.73Å
229L47.2Very low46.1Very low101 Ų101118.6 Ų118.653%0.52964%0.644SS.*Hα-helixtrans-62.2-34.5178-71.9167.4000112Q225 A231 Q232Q225-L229 PolarHBondContact O-N 3.14Å; L229-A231 PolarHBondContact O-N 3Å; L229-Q232 PolarHBondContact O-N 3.17Å
230K45.3Very low45.1Very low158 Ų158121.1 Ų121.169%0.68766%0.656SS**Hα-helixtrans-65.7-19.6173.9-116.7173.3-179169.40114.7V226 C228V226-K230 WeakPolarHBondContact O-CB 3.23Å; V226-K230 PolarHBondContact O-N 3.25Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.1Å
231A50.2Low43.7Very low74 Ų74126.2 Ų126.261%0.61267%0.668SS**Hα-helixtrans-84.2-23.3177.100000113C228 L229C228-A231 WeakPolarHBondContact O-CB 3.38Å; C228-A231 PolarHBondContact O-N 2.73Å; L229-A231 PolarHBondContact O-N 3Å
232Q44.5Very low42.4Very low145 Ų145129.8 Ų129.868%0.67869%0.685SS**Hα-helixtrans-83.5-16.7-178.1-70.3174.7-31.200113.4L229 Y234L229-Q232 PolarHBondContact O-N 3.17Å; Q232-Y234 VanDerWaalsContact C-N 3.28Å; Q232-Y234 PolarHBondContact O-N 2.99Å
233F38.7Very low41.3Very low151 Ų151128.7 Ų128.766%0.66270%0.697SS**THydrogen-bonded Turntrans-79.87.5-179.5-96.6-87.8000116
234Y38.1Very low40Very low201 Ų201129.4 Ų129.479%0.78871%0.705SS**  trans-122.764.5179.5-80.1-75.6000112Q232Q232-Y234 VanDerWaalsContact C-N 3.28Å; Q232-Y234 PolarHBondContact O-N 2.99Å
235S38.4Very low38.6Very low110 Ų110129 Ų12977%0.76971%0.706SS**  trans-152.386.6172.2-75.80000110.9
236N29.4Very low37.5Very low143 Ų143130.7 Ų130.777%0.76571%0.714SS**  trans-70.4127.2-169-70.416.5000114.7
237S28.7Very low36.4Very low108 Ų108132.5 Ų132.576%0.75572%0.721SS**  trans14.4128.113362.40000120.7
238S30.4Very low35Very low107 Ų107134 Ų13475%0.74873%0.728SS**  trans-166.9128.6142.259.60000114.9
239T31.5Very low34Very low117 Ų117135.2 Ų135.272%0.71874%0.738SS**  trans57.596.2143.959.50000122
240E28.7Very low33.3Very low178 Ų178135.6 Ų135.683%0.83275%0.749SS**  53.8130.8100-66.6173.5145.500124.3
241E28.3Very low32.9Very low171 Ų171136 Ų13680%0.79976%0.759SS**  97.2141.1125.7-91.1-141.613800126.8
242T27.7Very low32.1Very low131 Ų131142.2 Ų142.280%0.80477%0.772SS**  trans72.1134.7162.363.60000121.6
243G29.5Very low31.5Very low75 Ų75143.2 Ų143.277%0.77378%0.781SS**  trans-178.333-176.800000122.3
244L30.7Very low31.2Very low161 Ų161142 Ų14284%0.84378%0.781SS**  trans61105.6156.6-65.7165.7000122.8
245L26.4Very low31.3Very low137 Ų137138.3 Ų138.372%0.71778%0.779SS**  50.1129.5119-64.4179.6000124.3
246Q27.6Very low31.4Very low161 Ų161143.9 Ų143.975%0.75278%0.783SS**  120.2144116.1-101.8172.56.800121.6
247N28.6Very low32Very low122 Ų122141.9 Ų141.965%0.65278%0.776SS**  trans69.1147.3170-68.621.5000117.8
248E32.6Very low32.4Very low176 Ų176141.6 Ų141.682%0.82276%0.763SS**  cis-143.1164.96.6-141.8150.8-107.900113.5
249S31.2Very low32.8Very low112 Ų112139.8 Ų139.878%0.78375%0.75SS**  trans-104.8138.4-174.5-68.90000113.7
250S33.6Very low33.4Very low110 Ų110140.1 Ų140.177%0.76975%0.747SS**  trans-176116.2137.1-85.30000113.8
251N37.4Very low34Very low166 Ų166140.4 Ų140.489%0.88874%0.742SS**  trans174.182.9130.8-90.1-22.4000111.9L253N251-L253 PolarHBondContact O-N 3.32Å
252K32.8Very low34.8Very low205 Ų205137.1 Ų137.189%0.89173%0.729SS**  trans-87.591.4172.7-77.7-177.2172.8178.70111.3
253L30.8Very low35.8Very low166 Ų166137.2 Ų137.287%0.86972%0.72SS**SBendtrans-154.731.9166.3-14871.8000117.6N251N251-L253 PolarHBondContact O-N 3.32Å
254L33.4Very low36.5Very low125 Ų125141.4 Ų141.465%0.65471%0.713SS**SBendtrans-141.3-5.8169-146.667.5000116.2R256L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.2Å
255V40Very low37.1Very low123 Ų123136.4 Ų136.475%0.74569%0.691SS**THydrogen-bonded Turntrans-88.252.2-167.5-162.50000112.8
256R40.1Very low38.2Very low228 Ų228133.2 Ų133.286%0.8667%0.674SS**THydrogen-bonded Turntrans-141.8-4.4177.2-126.5177.5-171.4169.22.4116.4L254L254-R256 VanDerWaalsContact C-N 3.3Å; L254-R256 PolarHBondContact O-N 3.2Å
257T42.5Very low39.4Very low101 Ų101131.3 Ų131.362%0.6267%0.666SS**THydrogen-bonded Turntrans-103.8-33.3173.2360000112.4N260T257-N260 PolarHBondContact O-N 3.01Å
258E36Very low40.3Very low102 Ų102128.4 Ų128.448%0.47765%0.649SS.*THydrogen-bonded Turntrans-70.6-32.2179.9-66.8161.1152.800112.6N260 Y261 I262E258-N260 PolarHBondContact O-N 3.44Å; E258-N260 VanDerWaalsContact O-N 3.15Å; E258-Y261 WeakPolarHBondContact O-CA 3.45Å; E258-Y261 WeakPolarHBondContact O-CB 3.3Å; E258-Y261 PolarHBondContact O-N 3.37Å; E258-I262 WeakPolarHBondContact O-CG1 3.34Å; E258-I262 PolarHBondContact O-N 3.03Å
259S40.7Very low41.1Very low69 Ų69122.1 Ų122.148%0.48362%0.621SS.*Hα-helixtrans-60.8-25.4178.6-167.70000113.7H263S259-H263 VanDerWaalsContact O-CB 3.31Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.68Å
260N43.6Very low42.5Very low123 Ų123122 Ų12266%0.65861%0.612SS**Hα-helixtrans-90.9-10.6175.5-71.411.6000112.7T257 E258 R264T257-N260 PolarHBondContact O-N 3.01Å; E258-N260 PolarHBondContact O-N 3.44Å; E258-N260 VanDerWaalsContact O-N 3.15Å; N260-R264 WeakPolarHBondContact O-CB 3.49Å
261Y41.6Very low43.7Very low185 Ų185119.7 Ų119.773%0.72559%0.588SS**Hα-helixtrans-83.5-50.8166.8-102.1-92.9000109.9E258 H263 R264 S265E258-Y261 WeakPolarHBondContact O-CA 3.45Å; E258-Y261 WeakPolarHBondContact O-CB 3.3Å; E258-Y261 PolarHBondContact O-N 3.37Å; Y261-H263 PolarHBondContact O-N 2.71Å; Y261-R264 PolarHBondContact O-N 3.35Å; Y261-R264 VanDerWaalsContact O-N 3.16Å; Y261-S265 PolarHBondContact O-N 3.32Å; Y261-S265 PolarHBondContact O-OG 3.22Å
262I44.4Very low44.1Very low101 Ų101111.8 Ų111.852%0.51855%0.546SS..Hα-helixtrans-55.7-55.2177.9-64.9165.8000110.3E258 R264 S265 D266E258-I262 WeakPolarHBondContact O-CG1 3.34Å; E258-I262 PolarHBondContact O-N 3.03Å; I262-R264 PolarHBondContact O-N 3.08Å; I262-S265 CarbonylContact O-C 3.22Å; I262-S265 WeakPolarHBondContact O-CA 3.28Å; I262-S265 WeakPolarHBondContact O-CB 3.02Å; I262-S265 PolarHBondContact O-N 3.3Å; I262-D266 WeakPolarHBondContact CG2-OD2 3.31Å; I262-D266 WeakPolarHBondContact O-CB 3.45Å; I262-D266 VanDerWaalsContact O-CG 3.24Å; I262-D266 PolarHBondContact O-N 3.32Å
263H48Very low45Very low133 Ų133105.7 Ų105.762%0.61652%0.523SS*.Hα-helixtrans-63.2-21.6-177-154.6-33.5000113.6S259 Y261 E267S259-H263 VanDerWaalsContact O-CB 3.31Å; S259-H263 WeakPolarHBondContact O-CB 3.44Å; S259-H263 PolarHBondContact O-N 2.68Å; Y261-H263 PolarHBondContact O-N 2.71Å; H263-E267 VanDerWaalsContact O-CB 3.3Å; H263-E267 WeakPolarHBondContact O-CB 3.21Å; H263-E267 PolarHBondContact O-N 3.42Å
264R44.9Very low46.3Very low164 Ų164101.7 Ų101.762%0.61950%0.5SS*.Hα-helixtrans-90.2-30.1176.8-156.4176-159.2-132.22.1112.5N260 Y261 I262 I268N260-R264 WeakPolarHBondContact O-CB 3.49Å; Y261-R264 PolarHBondContact O-N 3.35Å; Y261-R264 VanDerWaalsContact O-N 3.16Å; I262-R264 PolarHBondContact O-N 3.08Å; R264-I268 WeakPolarHBondContact O-CB 3.35Å; R264-I268 WeakPolarHBondContact O-CD1 3.5Å; R264-I268 VanDerWaalsContact O-CG1 3.22Å; R264-I268 WeakPolarHBondContact O-CG1 3.49Å; R264-I268 PolarHBondContact O-N 3.41Å
265S42.8Very low46.9Very low56 Ų5697.5 Ų97.539%0.39248%0.477SS..Hα-helixtrans-64.1-48.7162.9-69.40000110.1Y261 I262 E267 I268 I269Y261-S265 PolarHBondContact O-N 3.32Å; Y261-S265 PolarHBondContact O-OG 3.22Å; I262-S265 CarbonylContact O-C 3.22Å; I262-S265 WeakPolarHBondContact O-CA 3.28Å; I262-S265 WeakPolarHBondContact O-CB 3.02Å; I262-S265 PolarHBondContact O-N 3.3Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.2Å; S265-I268 CarbonylContact O-C 3.49Å; S265-I268 WeakPolarHBondContact O-CA 3.31Å; S265-I268 PolarHBondContact O-N 3.13Å; S265-I269 WeakPolarHBondContact O-CB 3.41Å; S265-I269 WeakPolarHBondContact O-CD1 3.19Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.37Å
266D49.2Very low47.4Very low69 Ų6992.2 Ų92.237%0.36945%0.445SS..Hα-helixtrans-57.9-39.1175-65.1-25.8000112.1I262 I269 N270I262-D266 WeakPolarHBondContact CG2-OD2 3.31Å; I262-D266 WeakPolarHBondContact O-CB 3.45Å; I262-D266 VanDerWaalsContact O-CG 3.24Å; I262-D266 PolarHBondContact O-N 3.32Å; D266-I269 PolarHBondContact O-N 2.96Å; D266-I269 VanDerWaalsContact O-N 3.14Å; D266-N270 PolarHBondContact O-N 2.99Å; D266-N270 PolarHBondContact O-ND2 3.32Å
267E52.9Low48.2Very low122 Ų12286.2 Ų86.257%0.5743%0.43SS*.Hα-helixtrans-63.5-48.7172.5-171.1169.7-117.100110.3H263 S265 I269 N270 K271H263-E267 VanDerWaalsContact O-CB 3.3Å; H263-E267 WeakPolarHBondContact O-CB 3.21Å; H263-E267 PolarHBondContact O-N 3.42Å; S265-E267 VanDerWaalsContact C-N 3.28Å; S265-E267 PolarHBondContact O-N 3.2Å; E267-I269 PolarHBondContact O-N 3.22Å; E267-N270 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact O-CA 3.26Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 PolarHBondContact O-N 2.92Å
268I48.9Very low48.7Very low60 Ų6084.3 Ų84.331%0.30841%0.414SS..Hα-helixtrans-68.71170.5-65.4164.5000112.9R264 S265 K271 T272 Q525R264-I268 WeakPolarHBondContact O-CB 3.35Å; R264-I268 WeakPolarHBondContact O-CD1 3.5Å; R264-I268 VanDerWaalsContact O-CG1 3.22Å; R264-I268 WeakPolarHBondContact O-CG1 3.49Å; R264-I268 PolarHBondContact O-N 3.41Å; S265-I268 CarbonylContact O-C 3.49Å; S265-I268 WeakPolarHBondContact O-CA 3.31Å; S265-I268 PolarHBondContact O-N 3.13Å; I268-K271 VanDerWaalsContact C-C 3.48Å; I268-K271 CarbonylContact C-O 3.29Å; I268-K271 CarbonylContact O-C 3.59Å; I268-T272 PolarHBondContact O-OG1 2.86Å; I268-Q525 HydrophobicContact CG2-CG 4.39Å
269I49.3Very low49.4Very low45 Ų4583 Ų8323%0.23141%0.41CS..Hα-helixtrans-110.2-31.2179.7-81.1171.4000110.6S265 D266 E267 T272 N273 V526S265-I269 WeakPolarHBondContact O-CB 3.41Å; S265-I269 WeakPolarHBondContact O-CD1 3.19Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.37Å; D266-I269 PolarHBondContact O-N 2.96Å; D266-I269 VanDerWaalsContact O-N 3.14Å; E267-I269 PolarHBondContact O-N 3.22Å; I269-T272 CarbonylContact O-C 3.6Å; I269-T272 WeakPolarHBondContact O-CA 3.19Å; I269-T272 PolarHBondContact O-N 3.28Å; I269-N273 PolarHBondContact O-N 2.81Å; I269-V526 VanDerWaalsContact CA-CG2 3.4Å; I269-V526 HydrophobicContact CB-CG2 3.64Å; I269-V526 HydrophobicContact CG1-CG2 3.71Å; I269-V526 HydrophobicContact CG2-CG2 3.54Å; I269-V526 WeakPolarHBondContact O-CG2 3.42Å
270N60.2Low50.4Low110 Ų11084.8 Ų84.859%0.58841%0.409SS*.Hα-helixtrans-79.8-48.9164.8-65.4-72.7000109.7D266 E267 T272 N273 N522D266-N270 PolarHBondContact O-N 2.99Å; D266-N270 PolarHBondContact O-ND2 3.32Å; E267-N270 PolarHBondContact O-N 3.45Å; N270-T272 PolarHBondContact O-N 3.43Å; N270-N273 PolarHBondContact O-N 2.82Å; N270-N522 WeakPolarHBondContact O-CB 3.18Å
271K58Low51.6Low60 Ų6081.3 Ų81.326%0.26139%0.394SS..THydrogen-bonded Turn-3.411.9118.1-169.8-172.8-71.2-1790122.4E267 I268 E518 Y521 N522E267-K271 WeakPolarHBondContact O-CA 3.26Å; E267-K271 WeakPolarHBondContact O-CB 3.38Å; E267-K271 PolarHBondContact O-N 2.92Å; I268-K271 VanDerWaalsContact C-C 3.48Å; I268-K271 CarbonylContact C-O 3.29Å; I268-K271 CarbonylContact O-C 3.59Å; K271-E518 VanDerWaalsContact CE-CG 3.44Å; K271-E518 IonicContact NZ-OE1 3.74Å; K271-E518 PolarHBondContact NZ-OE1 3.28Å; K271-Y521 HydrophobicContact CD-CD1 3.97Å; K271-Y521 HydrophobicContact CD-CE1 4.39Å; K271-Y521 HydrophobicContact CG-CD1 3.97Å; K271-Y521 HydrophobicContact CG-CE1 4.32Å; K271-N522 HydrophobicContact CB-CB 4.19Å; K271-N522 VanDerWaalsContact CB-CG 3.46Å; K271-N522 WeakPolarHBondContact CB-OD1 3.43Å; K271-N522 WeakPolarHBondContact CE-OD1 3.4Å; K271-N522 WeakPolarHBondContact CG-OD1 3.18Å
272T46.9Very low52.4Low1 Ų176.2 Ų76.21%0.00638%0.379CS..THydrogen-bonded Turntrans172.1-9.6-139.397.50000115.8I268 I269 N270 Y521 N522 E523 Q525 V526I268-T272 PolarHBondContact O-OG1 2.86Å; I269-T272 CarbonylContact O-C 3.6Å; I269-T272 WeakPolarHBondContact O-CA 3.19Å; I269-T272 PolarHBondContact O-N 3.28Å; N270-T272 PolarHBondContact O-N 3.43Å; T272-Y521 WeakPolarHBondContact CG2-O 3.42Å; T272-N522 CarbonylContact C-O 3.54Å; T272-N522 VanDerWaalsContact CA-C 3.43Å; T272-N522 VanDerWaalsContact CA-O 3.24Å; T272-N522 WeakPolarHBondContact CA-O 3.26Å; T272-N522 PolarHBondContact N-O 3.48Å; T272-E523 CarbonylContact O-C 3.05Å; T272-E523 WeakPolarHBondContact O-CA 3.41Å; T272-E523 VanDerWaalsContact O-O 3.11Å; T272-Q525 HydrophobicContact CG2-CB 3.54Å; T272-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 VanDerWaalsContact CG2-N 3.34Å; T272-Q525 WeakPolarHBondContact OG1-CA 3.29Å; T272-Q525 WeakPolarHBondContact OG1-CB 3.27Å; T272-Q525 WeakPolarHBondContact OG1-CG 3.08Å; T272-Q525 PolarHBondContact OG1-O 3.49Å; T272-V526 VanDerWaalsContact O-CA 3.31Å; T272-V526 WeakPolarHBondContact O-CA 3.14Å; T272-V526 WeakPolarHBondContact O-CB 3.49Å; T272-V526 VanDerWaalsContact O-CG2 3.3Å; T272-V526 WeakPolarHBondContact O-CG2 3.37Å; T272-V526 PolarHBondContact O-N 2.94Å; T272-V526 PolarHBondContact OG1-N 3.3Å
273N50.9Low53.4Low77 Ų7774.7 Ų74.741%0.41238%0.377SS..SBendtrans-12719.4171-103.2-24.2000123.1I269 N270 N277 N522 E523I269-N273 PolarHBondContact O-N 2.81Å; N270-N273 PolarHBondContact O-N 2.82Å; N273-N277 PolarHBondContact O-ND2 2.75Å; N273-N522 CarbonylContact C-O 3.56Å; N273-N522 VanDerWaalsContact CA-O 3.31Å; N273-N522 WeakPolarHBondContact CA-O 3.3Å; N273-N522 PolarHBondContact N-O 2.88Å; N273-E523 VanDerWaalsContact C-CD 3.48Å; N273-E523 VanDerWaalsContact C-OE2 3.27Å; N273-E523 VanDerWaalsContact O-OE2 3.13Å
274E58.9Low54.2Low81 Ų8170.5 Ų70.538%0.37936%0.362SS..SBendtrans-118-29.9175.3-65.6148.2147.700120.3S276 E278 L519 N522 E523E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 3.38Å; E274-S276 VanDerWaalsContact O-N 3.16Å; E274-E278 PolarHBondContact O-N 3.47Å; E274-L519 CarbonylContact C-O 3.59Å; E274-L519 WeakPolarHBondContact CA-O 3.11Å; E274-L519 HydrophobicContact CB-CB 4.07Å; E274-L519 WeakPolarHBondContact CB-O 3.18Å; E274-L519 VanDerWaalsContact CD-CD2 3.43Å; E274-L519 WeakPolarHBondContact OE1-CD2 3.25Å; E274-L519 WeakPolarHBondContact OE2-CD2 3.47Å; E274-N522 HydrophobicContact CB-CB 4.32Å; E274-N522 PolarHBondContact N-O 2.92Å; E274-N522 PolarHBondContact OE2-ND2 3.27Å; E274-E523 WeakPolarHBondContact CA-OE2 3.5Å; E274-E523 VanDerWaalsContact N-CB 3.34Å; E274-E523 PolarHBondContact N-OE2 3.42Å
275Q44.5Very low55.1Low37 Ų3767.4 Ų67.417%0.17336%0.355CS..Hα-helixtrans-45.6-37171.7-134.3148.47.700117.2E278 I279 L519 K520 Y521 E523 V524Q275-E278 CarbonylContact O-C 3.55Å; Q275-E278 VanDerWaalsContact O-C 3.29Å; Q275-E278 WeakPolarHBondContact O-CA 3.35Å; Q275-E278 PolarHBondContact O-N 2.82Å; Q275-I279 HydrophobicContact CB-CD1 4.41Å; Q275-I279 HydrophobicContact CG-CD1 3.8Å; Q275-I279 HydrophobicContact CG-CG1 4.38Å; Q275-I279 WeakPolarHBondContact O-CB 3.29Å; Q275-I279 VanDerWaalsContact O-CG1 3.26Å; Q275-I279 WeakPolarHBondContact O-CG1 3.34Å; Q275-I279 PolarHBondContact O-N 3.17Å; Q275-L519 PolarHBondContact N-O 3.39Å; Q275-K520 WeakPolarHBondContact CA-O 3.41Å; Q275-K520 HydrophobicContact CB-CG 4.41Å; Q275-K520 WeakPolarHBondContact CB-O 3.36Å; Q275-K520 HydrophobicContact CG-CB 4.02Å; Q275-K520 HydrophobicContact CG-CG 3.82Å; Q275-K520 WeakPolarHBondContact CG-O 2.86Å; Q275-K520 PolarHBondContact N-O 3.04Å; Q275-K520 VanDerWaalsContact N-O 3.08Å; Q275-K520 PolarHBondContact OE1-O 2.71Å; Q275-Y521 PolarHBondContact OE1-O 2.91Å; Q275-Y521 VanDerWaalsContact OE1-O 3.09Å; Q275-E523 VanDerWaalsContact CA-CB 3.49Å; Q275-E523 HydrophobicContact CB-CB 3.39Å; Q275-E523 PolarHBondContact N-OE2 2.95Å; Q275-V524 HydrophobicContact CB-CG2 4.11Å; Q275-V524 HydrophobicContact CG-CG2 3.95Å
276S51.5Low56Low13 Ų1369.6 Ų69.69%0.09136%0.362CS..Hα-helixtrans-105.6-21-159.7-172.70000110.3E274 K280 E523 Q527E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 3.38Å; E274-S276 VanDerWaalsContact O-N 3.16Å; S276-K280 WeakPolarHBondContact O-CA 3.35Å; S276-K280 WeakPolarHBondContact O-CB 3.41Å; S276-K280 WeakPolarHBondContact O-CD 3.06Å; S276-K280 WeakPolarHBondContact O-CE 3.49Å; S276-K280 WeakPolarHBondContact O-CG 3.44Å; S276-K280 PolarHBondContact O-N 2.86Å; S276-K280 WeakPolarHBondContact OG-CE 3.5Å; S276-E523 WeakPolarHBondContact CA-OE2 3.45Å; S276-E523 VanDerWaalsContact CB-CG 3.47Å; S276-E523 WeakPolarHBondContact CB-OE1 3.3Å; S276-E523 VanDerWaalsContact N-CD 3.25Å; S276-E523 PolarHBondContact N-OE2 3.38Å; S276-Q527 PolarHBondContact OG-OE1 2.73Å
277N56Low56.9Low101 Ų10172.6 Ų72.654%0.5437%0.374SS..Hα-helixtrans-55.8-43146.5-66.1-69000110.6N273 S281 E523N273-N277 PolarHBondContact O-ND2 2.75Å; N277-S281 WeakPolarHBondContact O-CB 3.35Å; N277-S281 PolarHBondContact O-N 3.22Å; N277-E523 PolarHBondContact N-OE1 3.02Å; N277-E523 PolarHBondContact N-OE2 3.37Å; N277-E523 PolarHBondContact ND2-OE1 3.47Å; N277-E523 PolarHBondContact ND2-OE2 3.4Å
278E53.6Low57.8Low62 Ų6272.5 Ų72.529%0.2937%0.371SS..Hα-helixtrans-79.1-25.5176.6-90.7-130.686.900115.9E274 Q275 S281 L282 K520E274-E278 PolarHBondContact O-N 3.47Å; Q275-E278 CarbonylContact O-C 3.55Å; Q275-E278 VanDerWaalsContact O-C 3.29Å; Q275-E278 WeakPolarHBondContact O-CA 3.35Å; Q275-E278 PolarHBondContact O-N 2.82Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.23Å; E278-L282 WeakPolarHBondContact O-CB 3.18Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 2.86Å; E278-K520 HydrophobicContact CB-CD 4.44Å; E278-K520 HydrophobicContact CB-CG 3.78Å; E278-K520 IonicContact OE1-NZ 3.24Å; E278-K520 PolarHBondContact OE1-NZ 3.3Å; E278-K520 WeakPolarHBondContact OE2-CG 3.41Å; E278-K520 IonicContact OE2-NZ 2.69Å; E278-K520 PolarHBondContact OE2-NZ 3.41Å
279I50.7Low58.7Low75 Ų7574.6 Ų74.639%0.38538%0.382SS..Hα-helixtrans-80.9-34.3171.8-75167.3000109.2Q275 S281 L282 S283 V524Q275-I279 HydrophobicContact CB-CD1 4.41Å; Q275-I279 HydrophobicContact CG-CD1 3.8Å; Q275-I279 HydrophobicContact CG-CG1 4.38Å; Q275-I279 WeakPolarHBondContact O-CB 3.29Å; Q275-I279 VanDerWaalsContact O-CG1 3.26Å; Q275-I279 WeakPolarHBondContact O-CG1 3.34Å; Q275-I279 PolarHBondContact O-N 3.17Å; I279-S281 VanDerWaalsContact C-N 3.28Å; I279-L282 PolarHBondContact O-N 3.19Å; I279-S283 WeakPolarHBondContact O-CA 3.26Å; I279-S283 WeakPolarHBondContact O-CB 3.17Å; I279-S283 PolarHBondContact O-N 2.95Å; I279-V524 HydrophobicContact CD1-CG2 3.89Å
280K62.3Low59.5Low106 Ų10677 Ų7746%0.46140%0.396SS..Hα-helixtrans-64-36.2165.5-68.8157.8-156.3155.10110.4S276 C284 E523S276-K280 WeakPolarHBondContact O-CA 3.35Å; S276-K280 WeakPolarHBondContact O-CB 3.41Å; S276-K280 WeakPolarHBondContact O-CD 3.06Å; S276-K280 WeakPolarHBondContact O-CE 3.49Å; S276-K280 WeakPolarHBondContact O-CG 3.44Å; S276-K280 PolarHBondContact O-N 2.86Å; S276-K280 WeakPolarHBondContact OG-CE 3.5Å; K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 2.7Å; K280-E523 IonicContact NZ-OE1 2.61Å
281S67.5Low60.2Low49 Ų4977.2 Ų77.234%0.34339%0.393SS..Hα-helixtrans-63.7-49.3171.2-176.50000112.3N277 E278 I279 C284 Q285N277-S281 WeakPolarHBondContact O-CB 3.35Å; N277-S281 PolarHBondContact O-N 3.22Å; E278-S281 WeakPolarHBondContact O-CB 3.45Å; E278-S281 PolarHBondContact O-N 3.23Å; I279-S281 VanDerWaalsContact C-N 3.28Å; S281-C284 PolarHBondContact O-N 2.74Å; S281-Q285 VanDerWaalsContact O-CG 3.29Å; S281-Q285 WeakPolarHBondContact O-CG 3.49Å; S281-Q285 PolarHBondContact O-N 3.49Å; S281-Q285 PolarHBondContact O-NE2 2.87Å; S281-Q285 PolarHBondContact OG-NE2 3.25Å
282L59.4Low60.8Low78 Ų7880.9 Ų80.941%0.40841%0.409SS..Hα-helixtrans-67.6-38.8177.7-75.4176000112.5E278 I279 Q285 L286 K520E278-L282 WeakPolarHBondContact O-CB 3.18Å; E278-L282 WeakPolarHBondContact O-CG 3.47Å; E278-L282 PolarHBondContact O-N 2.86Å; I279-L282 PolarHBondContact O-N 3.19Å; L282-Q285 CarbonylContact O-C 3.45Å; L282-Q285 WeakPolarHBondContact O-CA 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.31Å; L282-Q285 PolarHBondContact O-N 2.89Å; L282-Q285 VanDerWaalsContact O-N 3.1Å; L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 PolarHBondContact O-N 3.35Å; L282-K520 VanDerWaalsContact CD1-CE 3.44Å
283S65.7Low61.8Low69 Ų6986.2 Ų86.248%0.48344%0.437SS..Hα-helixtrans-63.7-44174.3-178.30000110.9I279 Q285 L286 E287I279-S283 WeakPolarHBondContact O-CA 3.26Å; I279-S283 WeakPolarHBondContact O-CB 3.17Å; I279-S283 PolarHBondContact O-N 2.95Å; S283-Q285 PolarHBondContact O-N 3.43Å; S283-L286 PolarHBondContact O-N 3.41Å; S283-E287 WeakPolarHBondContact O-CB 3.49Å; S283-E287 PolarHBondContact O-N 3.02Å
284C64.2Low62.5Low45 Ų4585 Ų8530%0.30444%0.438SS..Hα-helixtrans-70.7-13.8173.4-165.50000113.3K280 S281 K288K280-C284 WeakPolarHBondContact O-CB 3.41Å; K280-C284 PolarHBondContact O-N 2.7Å; S281-C284 PolarHBondContact O-N 2.74Å; C284-K288 WeakPolarHBondContact O-CD 3.24Å; C284-K288 WeakPolarHBondContact O-CE 3.2Å; C284-K288 WeakPolarHBondContact O-CG 3.22Å; C284-K288 PolarHBondContact O-NZ 2.77Å; C284-K288 PolarHBondContact SG-NZ 3.35Å
285Q63.6Low63.2Low99 Ų9985.1 Ų85.146%0.46344%0.441SS..Hα-helixtrans-86.7-40.5168.3-75.3175.17500111.6S281 L282 S283 K288 L289S281-Q285 VanDerWaalsContact O-CG 3.29Å; S281-Q285 WeakPolarHBondContact O-CG 3.49Å; S281-Q285 PolarHBondContact O-N 3.49Å; S281-Q285 PolarHBondContact O-NE2 2.87Å; S281-Q285 PolarHBondContact OG-NE2 3.25Å; L282-Q285 CarbonylContact O-C 3.45Å; L282-Q285 WeakPolarHBondContact O-CA 3.15Å; L282-Q285 WeakPolarHBondContact O-CB 3.31Å; L282-Q285 PolarHBondContact O-N 2.89Å; L282-Q285 VanDerWaalsContact O-N 3.1Å; S283-Q285 PolarHBondContact O-N 3.43Å; Q285-K288 CarbonylContact O-C 3.59Å; Q285-K288 PolarHBondContact O-N 3.15Å; Q285-L289 WeakPolarHBondContact O-CG 3.37Å; Q285-L289 PolarHBondContact O-N 2.73Å
286L62.1Low64.2Low102 Ų10286 Ų8653%0.53445%0.452SS..Hα-helixtrans-60.1-45.7171.1-96.4161.8000111.6L282 S283 K288 L289 N290L282-L286 WeakPolarHBondContact O-CB 3.37Å; L282-L286 PolarHBondContact O-N 3.35Å; S283-L286 PolarHBondContact O-N 3.41Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.88Å; L286-L289 CarbonylContact O-C 3.58Å; L286-L289 PolarHBondContact O-N 2.84Å; L286-L289 VanDerWaalsContact O-N 3.08Å; L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 2.69Å
287E66.8Low65.2Low133 Ų13388.9 Ų88.962%0.62146%0.464SS*.Hα-helixtrans-59.9-41.3174.9-171.8177.8-142.600111.5S283 L289 N290 Q291S283-E287 WeakPolarHBondContact O-CB 3.49Å; S283-E287 PolarHBondContact O-N 3.02Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.88Å; E287-N290 PolarHBondContact O-N 3.07Å; E287-Q291 WeakPolarHBondContact O-CB 3.33Å; E287-Q291 PolarHBondContact O-N 2.99Å
288K72.8Confident66Low120 Ų12089.4 Ų89.452%0.52247%0.467SS..Hα-helixtrans-70.9-24.2174-73.7170.5-168.1133.30114.1C284 Q285 L286 K292C284-K288 WeakPolarHBondContact O-CD 3.24Å; C284-K288 WeakPolarHBondContact O-CE 3.2Å; C284-K288 WeakPolarHBondContact O-CG 3.22Å; C284-K288 PolarHBondContact O-NZ 2.77Å; C284-K288 PolarHBondContact SG-NZ 3.35Å; Q285-K288 CarbonylContact O-C 3.59Å; Q285-K288 PolarHBondContact O-N 3.15Å; L286-K288 VanDerWaalsContact C-N 3.32Å; L286-K288 PolarHBondContact O-N 2.88Å; K288-K292 WeakPolarHBondContact O-CD 3.42Å; K288-K292 VanDerWaalsContact O-CG 3.27Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 3.01Å
289L68.5Low67Low103 Ų10390.3 Ų90.354%0.53947%0.473SS..Hα-helixtrans-80.6-43.5173.2-76.5168000110.7Q285 L286 E287 Q291 K292 L293Q285-L289 WeakPolarHBondContact O-CG 3.37Å; Q285-L289 PolarHBondContact O-N 2.73Å; L286-L289 CarbonylContact O-C 3.58Å; L286-L289 PolarHBondContact O-N 2.84Å; L286-L289 VanDerWaalsContact O-N 3.08Å; E287-L289 VanDerWaalsContact C-N 3.34Å; E287-L289 PolarHBondContact O-N 2.88Å; L289-Q291 PolarHBondContact O-N 3.35Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.31Å; L289-K292 PolarHBondContact O-N 3.33Å; L289-K292 VanDerWaalsContact O-N 3.17Å; L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 PolarHBondContact O-N 2.97Å
290N66.2Low68.2Low97 Ų9792.3 Ų92.352%0.51948%0.475SS..Hα-helixtrans-63.8-40.1175.8-71.1-8000111.7L286 E287 K292 L293 A294L286-N290 WeakPolarHBondContact O-CB 3.48Å; L286-N290 PolarHBondContact O-N 2.69Å; E287-N290 PolarHBondContact O-N 3.07Å; N290-K292 PolarHBondContact O-N 3.32Å; N290-L293 PolarHBondContact O-N 3.29Å; N290-A294 PolarHBondContact O-N 3.16Å
291Q73.1Confident68.9Low113 Ų11392.1 Ų92.153%0.52848%0.478SS..Hα-helixtrans-61.4-43.7171.9-174.861.760.200111.5E287 L289 L293 A294 D295E287-Q291 WeakPolarHBondContact O-CB 3.33Å; E287-Q291 PolarHBondContact O-N 2.99Å; L289-Q291 PolarHBondContact O-N 3.35Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.08Å; Q291-A294 PolarHBondContact O-N 2.9Å; Q291-D295 PolarHBondContact NE2-OD1 3.23Å; Q291-D295 WeakPolarHBondContact O-CB 3.25Å; Q291-D295 PolarHBondContact O-N 3.35Å
292K71Confident69.4Low137 Ų13796.1 Ų96.160%0.59649%0.486SS*.Hα-helixtrans-65.1-31.2175.1-75.5173.1-179.21790113.1K288 L289 N290 S296K288-K292 WeakPolarHBondContact O-CD 3.42Å; K288-K292 VanDerWaalsContact O-CG 3.27Å; K288-K292 WeakPolarHBondContact O-CG 3.49Å; K288-K292 PolarHBondContact O-N 3.01Å; L289-K292 CarbonylContact O-C 3.6Å; L289-K292 WeakPolarHBondContact O-CB 3.31Å; L289-K292 PolarHBondContact O-N 3.33Å; L289-K292 VanDerWaalsContact O-N 3.17Å; N290-K292 PolarHBondContact O-N 3.32Å; K292-S296 VanDerWaalsContact O-CB 3.29Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.81Å
293L68.8Low70Confident113 Ų11396.6 Ų96.659%0.59249%0.488SS*.Hα-helixtrans-70.9-42.5175.8-167.768.1000110.6L289 N290 Q291 S296 E297L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 PolarHBondContact O-N 2.97Å; N290-L293 PolarHBondContact O-N 3.29Å; Q291-L293 VanDerWaalsContact C-N 3.29Å; Q291-L293 PolarHBondContact O-N 3.08Å; L293-S296 WeakPolarHBondContact O-CB 3.33Å; L293-S296 PolarHBondContact O-N 3.13Å; L293-E297 PolarHBondContact O-N 3.21Å
294A66.3Low70.4Confident53 Ų5397.7 Ų97.744%0.43849%0.489SS..Hα-helixtrans-61.7-48.2171.900000111.8N290 Q291 S296 E297 D298N290-A294 PolarHBondContact O-N 3.16Å; Q291-A294 PolarHBondContact O-N 2.9Å; A294-S296 PolarHBondContact O-N 2.71Å; A294-E297 PolarHBondContact O-N 3.46Å; A294-E297 VanDerWaalsContact O-N 3.12Å; A294-D298 PolarHBondContact O-N 3.44Å
295D71.9Confident71.1Confident82 Ų82102 Ų10244%0.43950%0.502SS..Hα-helixtrans-56.8-37.5174.4-63.8-9.8000111.6Q291 I299Q291-D295 PolarHBondContact NE2-OD1 3.23Å; Q291-D295 WeakPolarHBondContact O-CB 3.25Å; Q291-D295 PolarHBondContact O-N 3.35Å; D295-I299 WeakPolarHBondContact O-CD1 3.43Å; D295-I299 VanDerWaalsContact O-CG1 3.25Å; D295-I299 WeakPolarHBondContact O-CG1 3.11Å; D295-I299 PolarHBondContact O-N 2.98Å
296S66.8Low71.6Confident57 Ų57101.4 Ų101.440%0.39950%0.5SS..Hα-helixtrans-71.6-36.2176.9-175.40000113K292 L293 A294 I299 R300K292-S296 VanDerWaalsContact O-CB 3.29Å; K292-S296 WeakPolarHBondContact O-CB 3.28Å; K292-S296 PolarHBondContact O-N 2.81Å; L293-S296 WeakPolarHBondContact O-CB 3.33Å; L293-S296 PolarHBondContact O-N 3.13Å; A294-S296 PolarHBondContact O-N 2.71Å; S296-I299 PolarHBondContact O-N 3.27Å; S296-R300 PolarHBondContact O-N 3.36Å
297E72.2Confident72.1Confident72 Ų7299.9 Ų99.934%0.33650%0.495SS..Hα-helixtrans-73.8-38.5179.2-162.256.6-136.200111.2L293 A294 I299 R300 I301L293-E297 PolarHBondContact O-N 3.21Å; A294-E297 PolarHBondContact O-N 3.46Å; A294-E297 VanDerWaalsContact O-N 3.12Å; E297-I299 VanDerWaalsContact C-N 3.26Å; E297-I299 PolarHBondContact O-N 3.02Å; E297-R300 WeakPolarHBondContact O-CA 3.41Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.97Å; E297-R300 VanDerWaalsContact OE1-CD 3.28Å; E297-R300 WeakPolarHBondContact OE1-CD 3.31Å; E297-R300 IonicContact OE1-CZ 2.63Å; E297-R300 IonicContact OE1-NE 3Å; E297-R300 PolarHBondContact OE1-NE 3.33Å; E297-R300 IonicContact OE1-NH2 3.85Å; E297-R300 IonicContact OE2-CZ 3.33Å; E297-R300 VanDerWaalsContact OE2-CZ 3.24Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.03Å; E297-R300 IonicContact OE2-NH2 3.95Å; E297-R300 PolarHBondContact OE2-NH2 3.27Å; E297-I301 HydrophobicContact CG-CD1 4.32Å; E297-I301 WeakPolarHBondContact O-CG1 3.4Å; E297-I301 PolarHBondContact O-N 3.49Å
298D72.4Confident72.4Confident113 Ų11397.3 Ų97.360%0.60449%0.485SS*.Hα-helixtrans-64.2-32.7174.1-150.647.1000111.4A294 R302A294-D298 PolarHBondContact O-N 3.44Å; D298-R302 WeakPolarHBondContact O-CB 3.39Å; D298-R302 PolarHBondContact O-N 3.27Å
299I75.3Confident72.5Confident81 Ų8197 Ų9742%0.41549%0.485SS..Hα-helixtrans-66.8-41.9167.8-71.5166.3000111.8D295 S296 E297 R302 L303D295-I299 WeakPolarHBondContact O-CD1 3.43Å; D295-I299 VanDerWaalsContact O-CG1 3.25Å; D295-I299 WeakPolarHBondContact O-CG1 3.11Å; D295-I299 PolarHBondContact O-N 2.98Å; S296-I299 PolarHBondContact O-N 3.27Å; E297-I299 VanDerWaalsContact C-N 3.26Å; E297-I299 PolarHBondContact O-N 3.02Å; I299-R302 PolarHBondContact O-N 3.17Å; I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.35Å; I299-L303 WeakPolarHBondContact O-CG 3.24Å; I299-L303 PolarHBondContact O-N 3.07Å
300R76.3Confident72.5Confident116 Ų11697.9 Ų97.944%0.43849%0.49SS..Hα-helixtrans-61.6-49.1177.3-161.8-156.8-49.3-90.5-0.9110.9S296 E297 R302 L303 D304S296-R300 PolarHBondContact O-N 3.36Å; E297-R300 WeakPolarHBondContact O-CA 3.41Å; E297-R300 WeakPolarHBondContact O-CB 3.46Å; E297-R300 PolarHBondContact O-N 2.97Å; E297-R300 VanDerWaalsContact OE1-CD 3.28Å; E297-R300 WeakPolarHBondContact OE1-CD 3.31Å; E297-R300 IonicContact OE1-CZ 2.63Å; E297-R300 IonicContact OE1-NE 3Å; E297-R300 PolarHBondContact OE1-NE 3.33Å; E297-R300 IonicContact OE1-NH2 3.85Å; E297-R300 IonicContact OE2-CZ 3.33Å; E297-R300 VanDerWaalsContact OE2-CZ 3.24Å; E297-R300 IonicContact OE2-NE 3.65Å; E297-R300 PolarHBondContact OE2-NE 3.03Å; E297-R300 IonicContact OE2-NH2 3.95Å; E297-R300 PolarHBondContact OE2-NH2 3.27Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.44Å; R300-L303 PolarHBondContact O-N 3.29Å; R300-D304 PolarHBondContact O-N 3.16Å
301I76Confident72.6Confident102 Ų10299.9 Ų99.952%0.52349%0.494SS..Hα-helixtrans-60.3-41.5178.3-67.1166.8000110.8E297 K305E297-I301 HydrophobicContact CG-CD1 4.32Å; E297-I301 WeakPolarHBondContact O-CG1 3.4Å; E297-I301 PolarHBondContact O-N 3.49Å; I301-K305 WeakPolarHBondContact O-CB 3.39Å; I301-K305 PolarHBondContact O-N 3.45Å
302R78.6Confident72.4Confident133 Ų13398.3 Ų98.350%0.50250%0.496SS..Hα-helixtrans-67.3-39.8176.1-161.4178.874.5-119.1-1.3112.5D298 I299 R300 K305 E306D298-R302 WeakPolarHBondContact O-CB 3.39Å; D298-R302 PolarHBondContact O-N 3.27Å; I299-R302 PolarHBondContact O-N 3.17Å; R300-R302 VanDerWaalsContact C-N 3.32Å; R300-R302 PolarHBondContact O-N 3.44Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 3.03Å; R302-E306 IonicContact NE-OE1 2.64Å; R302-E306 PolarHBondContact NE-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CG 3.31Å; R302-E306 PolarHBondContact O-N 3.43Å
303L71.8Confident72.1Confident88 Ų8894.4 Ų94.446%0.46149%0.489SS..Hα-helixtrans-65.4-42.9175.5-76.8170000112.2I299 R300 K305 E306 V307I299-L303 HydrophobicContact CG2-CD1 3.91Å; I299-L303 HydrophobicContact CG2-CG 4.44Å; I299-L303 WeakPolarHBondContact O-CB 3.35Å; I299-L303 WeakPolarHBondContact O-CG 3.24Å; I299-L303 PolarHBondContact O-N 3.07Å; R300-L303 PolarHBondContact O-N 3.29Å; L303-K305 PolarHBondContact O-N 3.32Å; L303-E306 PolarHBondContact O-N 3.41Å; L303-V307 WeakPolarHBondContact O-CB 3.4Å; L303-V307 VanDerWaalsContact O-CG2 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 2.82Å
304D73.2Confident71.3Confident93 Ų9393.8 Ų93.850%0.49749%0.486SS..Hα-helixtrans-63.3-33.8174.8-105.9-25.1000111.7R300 N308R300-D304 PolarHBondContact O-N 3.16Å; D304-N308 WeakPolarHBondContact O-CB 3.35Å; D304-N308 PolarHBondContact O-N 3.4Å; D304-N308 PolarHBondContact O-ND2 3.33Å
305K79.3Confident70.5Confident134 Ų13493.4 Ų93.458%0.58349%0.487SS*.Hα-helixtrans-67.7-49.1173.7-166.5174.9-179.3179.70112I301 R302 L303 V307 N308 E309I301-K305 WeakPolarHBondContact O-CB 3.39Å; I301-K305 PolarHBondContact O-N 3.45Å; R302-K305 WeakPolarHBondContact O-CB 3.18Å; R302-K305 PolarHBondContact O-N 3.03Å; L303-K305 PolarHBondContact O-N 3.32Å; K305-V307 VanDerWaalsContact C-N 3.32Å; K305-V307 PolarHBondContact O-N 2.94Å; K305-N308 PolarHBondContact O-N 3.3Å; K305-E309 WeakPolarHBondContact CE-OE1 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.36Å; K305-E309 PolarHBondContact O-N 3.42Å
306E75Confident69.7Low87 Ų8793.3 Ų93.341%0.40749%0.493SS..Hα-helixtrans-58.7-41.9174.5-73.4172.8-157.700111.5R302 L303 E309 L310R302-E306 IonicContact NE-OE1 2.64Å; R302-E306 PolarHBondContact NE-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CG 3.31Å; R302-E306 PolarHBondContact O-N 3.43Å; L303-E306 PolarHBondContact O-N 3.41Å; E306-E309 PolarHBondContact O-N 2.9Å; E306-L310 WeakPolarHBondContact O-CB 3.33Å; E306-L310 VanDerWaalsContact O-CG 3.26Å; E306-L310 WeakPolarHBondContact O-CG 3.25Å; E306-L310 PolarHBondContact O-N 2.8Å
307V72.5Confident68.8Low71 Ų7194.1 Ų94.143%0.4350%0.498SS..Hα-helixtrans-62.9-42.6175.6165.40000111.6L303 K305 L310 K311L303-V307 WeakPolarHBondContact O-CB 3.4Å; L303-V307 VanDerWaalsContact O-CG2 3.26Å; L303-V307 WeakPolarHBondContact O-CG2 3.13Å; L303-V307 PolarHBondContact O-N 2.82Å; K305-V307 VanDerWaalsContact C-N 3.32Å; K305-V307 PolarHBondContact O-N 2.94Å; V307-L310 PolarHBondContact O-N 2.89Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 PolarHBondContact O-N 3.1Å
308N72.5Confident67.3Low78 Ų7898.2 Ų98.242%0.41752%0.515SS..Hα-helixtrans-71.3-37.2177.9-76.9-59000112.5D304 K305 K311 S312D304-N308 WeakPolarHBondContact O-CB 3.35Å; D304-N308 PolarHBondContact O-N 3.4Å; D304-N308 PolarHBondContact O-ND2 3.33Å; K305-N308 PolarHBondContact O-N 3.3Å; N308-K311 WeakPolarHBondContact O-CB 3.4Å; N308-K311 PolarHBondContact O-N 3.07Å; N308-S312 PolarHBondContact O-N 3.4Å; N308-S312 PolarHBondContact O-OG 3.35Å; N308-S312 VanDerWaalsContact O-OG 3.13Å
309E74Confident66Low114 Ų11497.8 Ų97.853%0.53352%0.521SS..Hα-helixtrans-63-42.4172.1-72.6177.2-161.900111.4K305 E306 S312 A313K305-E309 WeakPolarHBondContact CE-OE1 3.4Å; K305-E309 WeakPolarHBondContact O-CG 3.36Å; K305-E309 PolarHBondContact O-N 3.42Å; E306-E309 PolarHBondContact O-N 2.9Å; E309-S312 PolarHBondContact O-N 3.11Å; E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.29Å
310L69.1Low64.2Low122 Ų122102.3 Ų102.364%0.63954%0.54SS*.Hα-helixtrans-64.1-39.1172.1-73.1170.3000112.6E306 V307 S312 A313 L314E306-L310 WeakPolarHBondContact O-CB 3.33Å; E306-L310 VanDerWaalsContact O-CG 3.26Å; E306-L310 WeakPolarHBondContact O-CG 3.25Å; E306-L310 PolarHBondContact O-N 2.8Å; V307-L310 PolarHBondContact O-N 2.89Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.98Å; L310-A313 PolarHBondContact O-N 2.92Å; L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 PolarHBondContact O-N 3.16Å
311K68.4Low62.2Low139 Ų139102.5 Ų102.560%0.60455%0.554SS**Hα-helixtrans-59.8-43.8173.4-127.6168.3-177.3170.50111.2V307 N308 L314 G315V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 PolarHBondContact O-N 3.1Å; N308-K311 WeakPolarHBondContact O-CB 3.4Å; N308-K311 PolarHBondContact O-N 3.07Å; K311-L314 PolarHBondContact O-N 2.62Å; K311-G315 PolarHBondContact O-N 2.96Å
312S69.3Low60.3Low80 Ų80104.4 Ų104.456%0.55957%0.565SS**Hα-helixtrans-65.6-46.7176.7-650000111.4N308 E309 L310 L314 G315 S316N308-S312 PolarHBondContact O-N 3.4Å; N308-S312 PolarHBondContact O-OG 3.35Å; N308-S312 VanDerWaalsContact O-OG 3.13Å; E309-S312 PolarHBondContact O-N 3.11Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 2.98Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.97Å; S312-G315 CarbonylContact O-C 3.53Å; S312-G315 WeakPolarHBondContact O-CA 3.47Å; S312-G315 PolarHBondContact O-N 3.27Å; S312-S316 PolarHBondContact O-N 2.86Å; S312-S316 PolarHBondContact O-OG 3.41Å
313A65.4Low58.2Low55 Ų55103.8 Ų103.846%0.45558%0.578SS.*Hα-helixtrans-62.5-37.1176.100000112.9E309 L310 G315 S316 S317E309-A313 WeakPolarHBondContact O-CB 3.39Å; E309-A313 PolarHBondContact O-N 3.29Å; L310-A313 PolarHBondContact O-N 2.92Å; A313-G315 VanDerWaalsContact C-N 3.32Å; A313-S316 PolarHBondContact O-N 2.74Å; A313-S317 WeakPolarHBondContact O-CB 3.37Å; A313-S317 PolarHBondContact O-N 2.77Å; A313-S317 PolarHBondContact O-OG 3.42Å
314L50.8Low56.3Low100 Ų100105.2 Ų105.252%0.52459%0.591SS.*Hα-helixtrans-70.3-27.7173.2-173.362.4000112.4L310 K311 S312 S317 K318L310-L314 VanDerWaalsContact O-CB 3.25Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 PolarHBondContact O-N 3.16Å; K311-L314 PolarHBondContact O-N 2.62Å; S312-L314 VanDerWaalsContact C-N 3.33Å; S312-L314 PolarHBondContact O-N 2.97Å; L314-S317 WeakPolarHBondContact CA-OG 3.22Å; L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 VanDerWaalsContact O-CG 3.3Å; L314-K318 WeakPolarHBondContact O-CG 3.34Å; L314-K318 PolarHBondContact O-N 2.75Å
315G49.9Very low54.4Low45 Ų45108.1 Ų108.146%0.46461%0.605SS.*Hα-helixtrans-68.4-49.8168.300000112.2K311 S312 A313 K318K311-G315 PolarHBondContact O-N 2.96Å; S312-G315 CarbonylContact O-C 3.53Å; S312-G315 WeakPolarHBondContact O-CA 3.47Å; S312-G315 PolarHBondContact O-N 3.27Å; A313-G315 VanDerWaalsContact C-N 3.32Å; G315-K318 PolarHBondContact O-N 3.4Å
316S54.7Low52.1Low80 Ų80108.5 Ų108.556%0.55961%0.612SS**Hα-helixtrans-59.7-50.8177.9-56.70000111.9S312 A313 K318 S319S312-S316 PolarHBondContact O-N 2.86Å; S312-S316 PolarHBondContact O-OG 3.41Å; A313-S316 PolarHBondContact O-N 2.74Å; S316-K318 PolarHBondContact O-N 2.98Å; S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.36Å; S316-S319 PolarHBondContact O-OG 3.26Å
317S47.9Very low50Low73 Ų73108.8 Ų108.851%0.5162%0.624SS.*Hα-helixtrans-67.4-18.1-178.5520000114.4A313 L314 S319A313-S317 WeakPolarHBondContact O-CB 3.37Å; A313-S317 PolarHBondContact O-N 2.77Å; A313-S317 PolarHBondContact O-OG 3.42Å; L314-S317 WeakPolarHBondContact CA-OG 3.22Å; S317-S319 VanDerWaalsContact C-N 3.32Å
318K40.6Very low47.9Very low159 Ų159111.7 Ų111.769%0.69164%0.637SS**THydrogen-bonded Turntrans-77.3-11.8170.5-83178178.1176.80114.6L314 G315 S316L314-K318 WeakPolarHBondContact O-CB 3.4Å; L314-K318 VanDerWaalsContact O-CG 3.3Å; L314-K318 WeakPolarHBondContact O-CG 3.34Å; L314-K318 PolarHBondContact O-N 2.75Å; G315-K318 PolarHBondContact O-N 3.4Å; S316-K318 PolarHBondContact O-N 2.98Å
319S45.2Very low46Very low103 Ų103115 Ų11572%0.7265%0.654SS**THydrogen-bonded Turntrans-85.6-13.9-179.770.40000114.7S316 S317S316-S319 WeakPolarHBondContact O-CB 3.39Å; S316-S319 PolarHBondContact O-N 3.36Å; S316-S319 PolarHBondContact O-OG 3.26Å; S317-S319 VanDerWaalsContact C-N 3.32Å
320E36.9Very low44.1Very low176 Ų176118.5 Ų118.582%0.82267%0.67SS**SBendtrans-114.921.4-165.3-151.3170.2-144.900114.7
321V35.5Very low42.2Very low120 Ų120119.2 Ų119.273%0.72768%0.684SS**  trans-128106.9172.3-174.30000110.9P323V321-P323 WeakPolarHBondContact O-CD 3.38Å
322N36.1Very low40.4Very low143 Ų143119 Ų11977%0.76569%0.69SS**  trans-114.799.6-176.7-179.2-0.6000111.7T324N322-T324 PolarHBondContact O-N 3.42Å
323P34.4Very low39Very low119 Ų119120.2 Ų120.277%0.77370%0.696SS**  trans-98.465.1-173.438.1-35000113.1V321V321-P323 WeakPolarHBondContact O-CD 3.38Å
324T31.6Very low37.7Very low119 Ų119120 Ų12073%0.7370%0.699SS**  trans-101.181.3162.2-57.20000109.9N322N322-T324 PolarHBondContact O-N 3.42Å
325I33.4Very low37.1Very low153 Ų153121.7 Ų121.779%0.78571%0.708SS**  trans-170.8126.9158.9-104.2149.1000111.6
326I31.2Very low36.8Very low142 Ų142124 Ų12473%0.72871%0.713SS**  trans33.2106141.2-42.6176.3000116.5
327S30.5Very low36.5Very low94 Ų94126.1 Ų126.166%0.65772%0.718SS**  67129.979160.90000115.2
328D29.4Very low36.2Very low132 Ų132127.9 Ų127.971%0.70672%0.721SS**  trans73.8103.6158.9-70.341.4000120.8
329N31.6Very low36.8Very low148 Ų148125.8 Ų125.879%0.79171%0.714SS**  trans86.5147.8144-66.2-61.4000122.1
330Q34.6Very low37.4Very low186 Ų186124.2 Ų124.287%0.86970%0.7SS**  trans72.182.3165-69.3-179.7-10.400119.6
331C29.8Very low38.5Very low137 Ų137120.5 Ų120.593%0.92669%0.685SS**  trans7.9125.5136-167.50000118.3
332N30.7Very low39.8Very low136 Ų136119 Ų11973%0.72767%0.673SS**  trans-144.9141.5173.9-148.1-3.2000109.8G334N332-G334 VanDerWaalsContact C-N 3.25Å; N332-G334 PolarHBondContact O-N 2.86Å
333P38.4Very low41.2Very low104 Ų104116 Ų11668%0.67566%0.657SS**THydrogen-bonded Turntrans-67.8-4.7-162.8-2536.1000118.4L335P333-L335 PolarHBondContact O-N 2.8Å
334G38.4Very low42.9Very low52 Ų52115.5 Ų115.554%0.53665%0.645SS.*THydrogen-bonded Turntrans-65.3-19.7-172.500000115.6N332 V336 N337N332-G334 VanDerWaalsContact C-N 3.25Å; N332-G334 PolarHBondContact O-N 2.86Å; G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 PolarHBondContact O-N 2.98Å; G334-N337 PolarHBondContact O-N 3.36Å
335L37.4Very low44.3Very low134 Ų134114.6 Ų114.670%0.70263%0.634SS**Hα-helixtrans-67.7-27.9-176.2-145.677.4000113.2P333 N337 L338 Q339P333-L335 PolarHBondContact O-N 2.8Å; L335-N337 PolarHBondContact O-N 2.93Å; L335-L338 PolarHBondContact O-N 2.86Å; L335-Q339 PolarHBondContact O-N 2.85Å; L335-Q339 VanDerWaalsContact O-N 3.13Å
336V44.8Very low45.8Very low94 Ų94110.2 Ų110.257%0.5762%0.615SS**Hα-helixtrans-63-42.6180-178.40000111G334 L338 Q339 T340G334-V336 VanDerWaalsContact C-N 3.29Å; G334-V336 PolarHBondContact O-N 2.98Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 2.78Å; V336-Q339 WeakPolarHBondContact O-CB 3.21Å; V336-Q339 PolarHBondContact O-N 3.18Å; V336-Q339 VanDerWaalsContact O-N 3.16Å; V336-T340 PolarHBondContact O-N 2.89Å; V336-T340 PolarHBondContact O-OG1 3.26Å; V336-T340 VanDerWaalsContact O-OG1 3.12Å
337N48.5Very low47.8Very low124 Ų124107.4 Ų107.466%0.66361%0.605SS**Hα-helixtrans-64.9-29.3178.5-75.310.6000112.8G334 L335 L341G334-N337 PolarHBondContact O-N 3.36Å; L335-N337 PolarHBondContact O-N 2.93Å; N337-L341 WeakPolarHBondContact O-CB 3.34Å; N337-L341 PolarHBondContact O-N 3.17Å
338L41.2Very low49.6Very low110 Ų110108 Ų10858%0.57660%0.597SS**Hα-helixtrans-74.9-35.6174.6-77.2170.7000111.9L335 V336 N342L335-L338 PolarHBondContact O-N 2.86Å; V336-L338 VanDerWaalsContact C-N 3.26Å; V336-L338 PolarHBondContact O-N 2.78Å; L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.5Å; L338-N342 PolarHBondContact O-N 2.69Å
339Q52.5Low51.3Low115 Ų115107.5 Ų107.554%0.53759%0.594SS.*Hα-helixtrans-62.9-52171.5-161.670.239.200110.2L335 V336 L341 N342 D343L335-Q339 PolarHBondContact O-N 2.85Å; L335-Q339 VanDerWaalsContact O-N 3.13Å; V336-Q339 WeakPolarHBondContact O-CB 3.21Å; V336-Q339 PolarHBondContact O-N 3.18Å; V336-Q339 VanDerWaalsContact O-N 3.16Å; Q339-L341 PolarHBondContact O-N 3.35Å; Q339-N342 WeakPolarHBondContact O-CB 3.49Å; Q339-N342 PolarHBondContact O-N 2.78Å; Q339-N342 VanDerWaalsContact O-N 3.08Å; Q339-D343 PolarHBondContact O-N 2.75Å
340T59.5Low53.1Low71 Ų71104.6 Ų104.644%0.43658%0.578SS.*Hα-helixtrans-59.9-41.7178.1-500000112.4V336 N342 D343 E344V336-T340 PolarHBondContact O-N 2.89Å; V336-T340 PolarHBondContact O-OG1 3.26Å; V336-T340 VanDerWaalsContact O-OG1 3.12Å; T340-N342 VanDerWaalsContact C-N 3.32Å; T340-N342 PolarHBondContact O-N 3.32Å; T340-D343 PolarHBondContact O-N 3.25Å; T340-E344 VanDerWaalsContact O-CB 3.24Å; T340-E344 WeakPolarHBondContact O-CB 3.27Å; T340-E344 PolarHBondContact O-N 2.72Å
341L60Low55Low97 Ų97100.7 Ų100.751%0.50856%0.56SS.*Hα-helixtrans-64.6-36176-176.166.2000112.2N337 Q339 L345N337-L341 WeakPolarHBondContact O-CB 3.34Å; N337-L341 PolarHBondContact O-N 3.17Å; Q339-L341 PolarHBondContact O-N 3.35Å; L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.26Å
342N60.8Low56.5Low89 Ų8997 Ų9748%0.47654%0.536SS..Hα-helixtrans-71.7-39.4176-175.286.4000112L338 Q339 T340 T346L338-N342 VanDerWaalsContact O-CB 3.27Å; L338-N342 WeakPolarHBondContact O-CB 3.5Å; L338-N342 PolarHBondContact O-N 2.69Å; Q339-N342 WeakPolarHBondContact O-CB 3.49Å; Q339-N342 PolarHBondContact O-N 2.78Å; Q339-N342 VanDerWaalsContact O-N 3.08Å; T340-N342 VanDerWaalsContact C-N 3.32Å; T340-N342 PolarHBondContact O-N 3.32Å; N342-T346 VanDerWaalsContact O-CB 3.31Å; N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.34Å; N342-T346 PolarHBondContact O-OG1 3.28Å
343D67.4Low58.4Low79 Ų7996.1 Ų96.142%0.42253%0.525SS..Hα-helixtrans-67.7-37.5175.8-59.4-23.1000110.9Q339 T340 T346 T347Q339-D343 PolarHBondContact O-N 2.75Å; T340-D343 PolarHBondContact O-N 3.25Å; D343-T346 PolarHBondContact O-N 3.1Å; D343-T347 WeakPolarHBondContact O-CB 3.48Å; D343-T347 PolarHBondContact O-N 2.77Å; D343-T347 PolarHBondContact O-OG1 3.35Å
344E68.7Low60.1Low110 Ų11096.4 Ų96.451%0.51452%0.521SS..Hα-helixtrans-70.2-42.2175.2-172.7139.4-147.500112T340 T346 T347 Q348T340-E344 VanDerWaalsContact O-CB 3.24Å; T340-E344 WeakPolarHBondContact O-CB 3.27Å; T340-E344 PolarHBondContact O-N 2.72Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.36Å; E344-T347 PolarHBondContact O-N 3.17Å; E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 3.03Å
345L62.1Low61.8Low99 Ų9999.3 Ų99.352%0.51852%0.518SS..Hα-helixtrans-61.1-40.4169.5-81.5166.1000112.1L341 T347 Q348 L349L341-L345 HydrophobicContact CG-CD1 4.29Å; L341-L345 WeakPolarHBondContact O-CB 3.44Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.26Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.49Å; L345-Q348 PolarHBondContact O-N 2.86Å; L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.17Å; L345-L349 PolarHBondContact O-N 3.28Å
346T64.7Low63Low62 Ų6297.1 Ų97.138%0.3851%0.507SS..Hα-helixtrans-65.9-36.7176.2-58.30000111.1N342 D343 E344 N350N342-T346 VanDerWaalsContact O-CB 3.31Å; N342-T346 WeakPolarHBondContact O-CB 3.43Å; N342-T346 PolarHBondContact O-N 3.34Å; N342-T346 PolarHBondContact O-OG1 3.28Å; D343-T346 PolarHBondContact O-N 3.1Å; E344-T346 VanDerWaalsContact C-N 3.34Å; E344-T346 PolarHBondContact O-N 3.36Å; T346-N350 WeakPolarHBondContact O-CB 3.47Å; T346-N350 PolarHBondContact O-N 2.77Å; T346-N350 PolarHBondContact O-ND2 2.96Å
347T73Confident64.2Low83 Ų8396.7 Ų96.751%0.50950%0.499SS..Hα-helixtrans-67.9-45.8175.4-56.90000111.3D343 E344 L345 L349 N350 E351D343-T347 WeakPolarHBondContact O-CB 3.48Å; D343-T347 PolarHBondContact O-N 2.77Å; D343-T347 PolarHBondContact O-OG1 3.35Å; E344-T347 PolarHBondContact O-N 3.17Å; L345-T347 VanDerWaalsContact C-N 3.31Å; L345-T347 PolarHBondContact O-N 3.49Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.19Å; T347-N350 PolarHBondContact O-N 3.12Å; T347-E351 PolarHBondContact O-N 3.45Å
348Q67.9Low65.3Low107 Ų10796.2 Ų96.250%0.549%0.492SS..Hα-helixtrans-64.3-35.8175.6-70.2178.822.600112.4E344 L345 S352E344-Q348 WeakPolarHBondContact O-CG 3.46Å; E344-Q348 PolarHBondContact O-N 3.03Å; L345-Q348 PolarHBondContact O-N 2.86Å; Q348-S352 VanDerWaalsContact O-CB 3.31Å; Q348-S352 WeakPolarHBondContact O-CB 3.47Å; Q348-S352 PolarHBondContact O-N 3.1Å; Q348-S352 PolarHBondContact O-OG 2.9Å
349L65Low66.4Low120 Ų12095.8 Ų95.863%0.62849%0.49SS*.Hα-helixtrans-64.8-43.7173.9-171.370000111.5L345 T347 S352 K353L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.17Å; L345-L349 PolarHBondContact O-N 3.28Å; T347-L349 VanDerWaalsContact C-N 3.33Å; T347-L349 PolarHBondContact O-N 3.19Å; L349-S352 PolarHBondContact O-N 3.06Å; L349-K353 WeakPolarHBondContact O-CB 3.45Å; L349-K353 PolarHBondContact O-N 3.28Å
350N70.5Confident67Low88 Ų8895.1 Ų95.147%0.47149%0.487SS..Hα-helixtrans-68.1-40.4176.9-74.9-32000112.5T346 T347 S352 K353 L354T346-N350 WeakPolarHBondContact O-CB 3.47Å; T346-N350 PolarHBondContact O-N 2.77Å; T346-N350 PolarHBondContact O-ND2 2.96Å; T347-N350 PolarHBondContact O-N 3.12Å; N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.47Å; N350-K353 PolarHBondContact O-N 2.84Å; N350-L354 WeakPolarHBondContact O-CG 3.21Å; N350-L354 PolarHBondContact O-N 3.32Å
351E72.7Confident67.6Low104 Ų10495 Ų9549%0.48649%0.488SS..Hα-helixtrans-59.8-43.4170.6-88.1-154.6-17400112T347 K353 L354 K355T347-E351 PolarHBondContact O-N 3.45Å; E351-K353 VanDerWaalsContact C-N 3.33Å; E351-L354 PolarHBondContact O-N 2.98Å; E351-K355 WeakPolarHBondContact O-CD 3.31Å; E351-K355 VanDerWaalsContact O-CG 3.25Å; E351-K355 WeakPolarHBondContact O-CG 3.25Å; E351-K355 PolarHBondContact O-N 3.16Å; E351-K355 IonicContact OE2-NZ 2.67Å; E351-K355 PolarHBondContact OE2-NZ 3.37Å
352S61.5Low68.1Low60 Ų6093.4 Ų93.442%0.4248%0.481SS..Hα-helixtrans-65.3-39.6179.2-580000110.9Q348 L349 N350 K355 I356Q348-S352 VanDerWaalsContact O-CB 3.31Å; Q348-S352 WeakPolarHBondContact O-CB 3.47Å; Q348-S352 PolarHBondContact O-N 3.1Å; Q348-S352 PolarHBondContact O-OG 2.9Å; L349-S352 PolarHBondContact O-N 3.06Å; N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.47Å; S352-K355 PolarHBondContact O-N 3.41Å; S352-I356 WeakPolarHBondContact O-CG1 3.3Å; S352-I356 PolarHBondContact O-N 3.48Å
353K71.3Confident68.2Low116 Ų11693.8 Ų93.850%0.50448%0.48SS..Hα-helixtrans-64.5-43.4174.9-165.2-177.4-177.6-111.70112.5L349 N350 E351 K355 I356 E357L349-K353 WeakPolarHBondContact O-CB 3.45Å; L349-K353 PolarHBondContact O-N 3.28Å; N350-K353 PolarHBondContact O-N 2.84Å; E351-K353 VanDerWaalsContact C-N 3.33Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 2.92Å; K353-I356 WeakPolarHBondContact O-CB 3.27Å; K353-I356 PolarHBondContact O-N 2.86Å; K353-I356 VanDerWaalsContact O-N 3.16Å; K353-E357 WeakPolarHBondContact CE-OE1 3.21Å; K353-E357 IonicContact NZ-OE1 2.66Å; K353-E357 PolarHBondContact NZ-OE1 3.22Å; K353-E357 PolarHBondContact O-N 3.49Å
354L74.5Confident68.4Low111 Ų11194.6 Ų94.658%0.58148%0.483SS*.Hα-helixtrans-64.8-33.6175.2-76.1167.7000112.5N350 E351 H358N350-L354 WeakPolarHBondContact O-CG 3.21Å; N350-L354 PolarHBondContact O-N 3.32Å; E351-L354 PolarHBondContact O-N 2.98Å; L354-H358 WeakPolarHBondContact O-CB 3.45Å; L354-H358 PolarHBondContact O-N 3.3Å
355K73Confident68.5Low112 Ų11293.9 Ų93.949%0.48748%0.48SS..Hα-helixtrans-66.6-38.1172.3-70.9160.5-167.3162.90111.4E351 S352 K353 L359E351-K355 WeakPolarHBondContact O-CD 3.31Å; E351-K355 VanDerWaalsContact O-CG 3.25Å; E351-K355 WeakPolarHBondContact O-CG 3.25Å; E351-K355 PolarHBondContact O-N 3.16Å; E351-K355 IonicContact OE2-NZ 2.67Å; E351-K355 PolarHBondContact OE2-NZ 3.37Å; S352-K355 PolarHBondContact O-N 3.41Å; K353-K355 VanDerWaalsContact C-N 3.3Å; K353-K355 PolarHBondContact O-N 2.92Å; K355-L359 VanDerWaalsContact O-CG 3.27Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.28Å
356I63.6Low68.3Low89 Ų8994.6 Ų94.646%0.45648%0.48SS..Hα-helixtrans-65.9-52.1173.4-68.1163.9000110.9S352 K353 H358 L359 E360S352-I356 WeakPolarHBondContact O-CG1 3.3Å; S352-I356 PolarHBondContact O-N 3.48Å; K353-I356 WeakPolarHBondContact O-CB 3.27Å; K353-I356 PolarHBondContact O-N 2.86Å; K353-I356 VanDerWaalsContact O-N 3.16Å; I356-H358 PolarHBondContact O-N 2.89Å; I356-L359 PolarHBondContact O-N 3.29Å; I356-E360 HydrophobicContact CG2-CG 4.2Å; I356-E360 WeakPolarHBondContact O-CG 3.48Å; I356-E360 PolarHBondContact O-N 3.1Å
357E70.6Confident68.4Low85 Ų8596.3 Ų96.340%0.39749%0.487SS..Hα-helixtrans-57.9-34.2178.1-73.3175.2-177.400112.2K353 S361K353-E357 WeakPolarHBondContact CE-OE1 3.21Å; K353-E357 IonicContact NZ-OE1 2.66Å; K353-E357 PolarHBondContact NZ-OE1 3.22Å; K353-E357 PolarHBondContact O-N 3.49Å; E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.5Å; E357-S361 PolarHBondContact O-N 3.16Å
358H71.1Confident68.4Low114 Ų11497.4 Ų97.453%0.52848%0.484SS..Hα-helixtrans-71.4-38.7173.4-17644000113.1L354 I356 S361 N362L354-H358 WeakPolarHBondContact O-CB 3.45Å; L354-H358 PolarHBondContact O-N 3.3Å; I356-H358 PolarHBondContact O-N 2.89Å; H358-S361 PolarHBondContact O-N 2.92Å; H358-N362 PolarHBondContact CE1-ND2 2.82Å; H358-N362 VanDerWaalsContact CE1-ND2 3.27Å; H358-N362 PolarHBondContact CE1-OD1 2.99Å; H358-N362 PolarHBondContact NE2-ND2 3.43Å; H358-N362 PolarHBondContact O-N 3.1Å; H358-N362 PolarHBondContact O-ND2 3.47Å; H358-N362 VanDerWaalsContact O-ND2 3.16Å
359L64.4Low68.5Low101 Ų10198 Ų9853%0.52949%0.487SS..Hα-helixtrans-67-43.8175.3-73.8167.1000111.8K355 I356 S361 N362 Q363K355-L359 VanDerWaalsContact O-CG 3.27Å; K355-L359 WeakPolarHBondContact O-CG 3.27Å; K355-L359 PolarHBondContact O-N 3.28Å; I356-L359 PolarHBondContact O-N 3.29Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 2.95Å; L359-N362 PolarHBondContact O-N 2.77Å; L359-Q363 WeakPolarHBondContact O-CG 3.38Å; L359-Q363 PolarHBondContact O-N 2.77Å
360E63.9Low68.5Low100 Ų10096.1 Ų96.147%0.46748%0.477SS..Hα-helixtrans-59-43.8173.9-70.1173.7165.800111.2I356 N362 Q363 I364I356-E360 HydrophobicContact CG2-CG 4.2Å; I356-E360 WeakPolarHBondContact O-CG 3.48Å; I356-E360 PolarHBondContact O-N 3.1Å; E360-N362 PolarHBondContact O-N 2.8Å; E360-Q363 PolarHBondContact O-N 3.25Å; E360-I364 WeakPolarHBondContact O-CG1 3.32Å; E360-I364 PolarHBondContact O-N 2.77Å
361S72.1Confident68.2Low68 Ų6896.6 Ų96.648%0.47648%0.48SS..Hα-helixtrans-63.7-40.4176.1-166.40000112.5E357 H358 L359 I364 E365E357-S361 VanDerWaalsContact O-CB 3.28Å; E357-S361 WeakPolarHBondContact O-CB 3.5Å; E357-S361 PolarHBondContact O-N 3.16Å; H358-S361 PolarHBondContact O-N 2.92Å; L359-S361 VanDerWaalsContact C-N 3.33Å; L359-S361 PolarHBondContact O-N 2.95Å; S361-I364 PolarHBondContact O-N 2.91Å; S361-E365 PolarHBondContact O-N 3.39Å
362N72.2Confident68.2Low64 Ų6497.1 Ų97.134%0.34248%0.482SS..Hα-helixtrans-65.8-37.1173.6-69.8-30.4000112.2H358 L359 E360 E365 Q366H358-N362 PolarHBondContact CE1-ND2 2.82Å; H358-N362 VanDerWaalsContact CE1-ND2 3.27Å; H358-N362 PolarHBondContact CE1-OD1 2.99Å; H358-N362 PolarHBondContact NE2-ND2 3.43Å; H358-N362 PolarHBondContact O-N 3.1Å; H358-N362 PolarHBondContact O-ND2 3.47Å; H358-N362 VanDerWaalsContact O-ND2 3.16Å; L359-N362 PolarHBondContact O-N 2.77Å; E360-N362 PolarHBondContact O-N 2.8Å; N362-E365 PolarHBondContact O-N 3.27Å; N362-Q366 VanDerWaalsContact O-CG 3.31Å; N362-Q366 WeakPolarHBondContact O-CG 3.36Å; N362-Q366 PolarHBondContact O-N 2.97Å
363Q61.2Low68.3Low98 Ų9899.1 Ų99.146%0.45849%0.487SS..Hα-helixtrans-66.3-41174.6-73.6-177.4-55.800111.9L359 E360 E365 Q366 L367L359-Q363 WeakPolarHBondContact O-CG 3.38Å; L359-Q363 PolarHBondContact O-N 2.77Å; E360-Q363 PolarHBondContact O-N 3.25Å; Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 3.03Å; Q363-Q366 PolarHBondContact O-N 2.79Å; Q363-L367 WeakPolarHBondContact O-CG 3.42Å; Q363-L367 PolarHBondContact O-N 3.46Å
364I72.5Confident67.9Low96 Ų9699.4 Ų99.449%0.49249%0.49SS..Hα-helixtrans-62.6-39.2174.6-70.6165.2000111.2E360 S361 L367 K368E360-I364 WeakPolarHBondContact O-CG1 3.32Å; E360-I364 PolarHBondContact O-N 2.77Å; S361-I364 PolarHBondContact O-N 2.91Å; I364-L367 PolarHBondContact O-N 2.76Å; I364-K368 WeakPolarHBondContact O-CG 3.09Å; I364-K368 PolarHBondContact O-N 3.09Å
365E70.7Confident67.8Low94 Ų9498 Ų9844%0.43949%0.49SS..Hα-helixtrans-71.7-31.7177.2-157.767.7-176.400112.6S361 N362 Q363 K368 Q369S361-E365 PolarHBondContact O-N 3.39Å; N362-E365 PolarHBondContact O-N 3.27Å; Q363-E365 VanDerWaalsContact C-N 3.32Å; Q363-E365 PolarHBondContact O-N 3.03Å; E365-K368 IonicContact OE2-NZ 3.31Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; E365-Q369 WeakPolarHBondContact O-CG 3.49Å; E365-Q369 PolarHBondContact O-N 3.41Å
366Q57.3Low67.5Low114 Ų11496.9 Ų96.953%0.53349%0.486SS..Hα-helixtrans-68.8-41.4171.4-75.4172-10.900112.2N362 Q363 K368 Q369 I370N362-Q366 VanDerWaalsContact O-CG 3.31Å; N362-Q366 WeakPolarHBondContact O-CG 3.36Å; N362-Q366 PolarHBondContact O-N 2.97Å; Q363-Q366 PolarHBondContact O-N 2.79Å; Q366-K368 PolarHBondContact O-N 2.72Å; Q366-Q369 WeakPolarHBondContact O-CB 3.49Å; Q366-Q369 PolarHBondContact O-N 2.83Å; Q366-Q369 VanDerWaalsContact O-N 3.1Å; Q366-I370 WeakPolarHBondContact O-CG1 3.23Å; Q366-I370 PolarHBondContact O-N 3.07Å
367L67Low67.6Low99 Ų9997.9 Ų97.952%0.51849%0.492SS..Hα-helixtrans-59.6-44.6175.7-75.1167.4000111.7Q363 I364 Q369 I370 D371Q363-L367 WeakPolarHBondContact O-CG 3.42Å; Q363-L367 PolarHBondContact O-N 3.46Å; I364-L367 PolarHBondContact O-N 2.76Å; L367-Q369 PolarHBondContact O-N 3.49Å; L367-I370 CarbonylContact O-C 3.58Å; L367-I370 WeakPolarHBondContact O-CA 3.22Å; L367-I370 WeakPolarHBondContact O-CB 3.42Å; L367-I370 PolarHBondContact O-N 2.74Å; L367-D371 VanDerWaalsContact O-CG 3.31Å; L367-D371 PolarHBondContact O-N 3.31Å
368K73.6Confident67.4Low106 Ų10699.2 Ų99.246%0.46150%0.498SS..Hα-helixtrans-59.5-32.1174.2-66.2172.4-160159.60113.7I364 E365 Q366 H372I364-K368 WeakPolarHBondContact O-CG 3.09Å; I364-K368 PolarHBondContact O-N 3.09Å; E365-K368 IonicContact OE2-NZ 3.31Å; E365-K368 PolarHBondContact OE2-NZ 3.37Å; Q366-K368 PolarHBondContact O-N 2.72Å; K368-H372 WeakPolarHBondContact O-CB 3.39Å; K368-H372 PolarHBondContact O-N 3.02Å; K368-H372 VanDerWaalsContact O-N 3.11Å
369Q69.8Low67.4Low118 Ų11896.9 Ų96.955%0.55150%0.495SS*.Hα-helixtrans-73.3-33.5176.1-70.3174.929.400111.1E365 Q366 L367 L373E365-Q369 WeakPolarHBondContact O-CG 3.49Å; E365-Q369 PolarHBondContact O-N 3.41Å; Q366-Q369 WeakPolarHBondContact O-CB 3.49Å; Q366-Q369 PolarHBondContact O-N 2.83Å; Q366-Q369 VanDerWaalsContact O-N 3.1Å; L367-Q369 PolarHBondContact O-N 3.49Å; Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 VanDerWaalsContact O-CG 3.23Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.41Å; Q369-L373 VanDerWaalsContact O-N 3.08Å
370I65Low67Low81 Ų8198 Ų9842%0.41549%0.492SS..Hα-helixtrans-67-51.2171-64.3166000110.1Q366 L367 H372 L373 E374Q366-I370 WeakPolarHBondContact O-CG1 3.23Å; Q366-I370 PolarHBondContact O-N 3.07Å; L367-I370 CarbonylContact O-C 3.58Å; L367-I370 WeakPolarHBondContact O-CA 3.22Å; L367-I370 WeakPolarHBondContact O-CB 3.42Å; L367-I370 PolarHBondContact O-N 2.74Å; I370-H372 PolarHBondContact O-N 2.96Å; I370-H372 VanDerWaalsContact O-N 3.16Å; I370-L373 PolarHBondContact O-N 3.39Å; I370-E374 HydrophobicContact CG2-CG 4.28Å; I370-E374 PolarHBondContact O-N 2.84Å
371D65.1Low67.1Low99 Ų9997.9 Ų97.953%0.52949%0.492SS..Hα-helixtrans-52-41176.5-61.6-23.2000112L367 S375L367-D371 VanDerWaalsContact O-CG 3.31Å; L367-D371 PolarHBondContact O-N 3.31Å; D371-S375 WeakPolarHBondContact O-CB 3.4Å; D371-S375 PolarHBondContact O-N 3.26Å; D371-S375 VanDerWaalsContact O-N 3.08Å
372H72.3Confident67Low115 Ų11598.4 Ų98.453%0.53249%0.489SS..Hα-helixtrans-69.4-42.4177.6-173.8-6.7000112.3K368 I370 S375 E376K368-H372 WeakPolarHBondContact O-CB 3.39Å; K368-H372 PolarHBondContact O-N 3.02Å; K368-H372 VanDerWaalsContact O-N 3.11Å; I370-H372 PolarHBondContact O-N 2.96Å; I370-H372 VanDerWaalsContact O-N 3.16Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.83Å; H372-E376 IonicContact CE1-OE1 2.64Å; H372-E376 PolarHBondContact CE1-OE1 2.61Å; H372-E376 PolarHBondContact O-N 3.37Å
373L63.4Low66.7Low102 Ų10299.2 Ų99.253%0.53449%0.493SS..Hα-helixtrans-69.1-34.4177.8-73168.1000112.2Q369 I370 E376 L377Q369-L373 WeakPolarHBondContact O-CB 3.47Å; Q369-L373 WeakPolarHBondContact O-CD1 3.47Å; Q369-L373 VanDerWaalsContact O-CG 3.23Å; Q369-L373 WeakPolarHBondContact O-CG 3.4Å; Q369-L373 PolarHBondContact O-N 3.41Å; Q369-L373 VanDerWaalsContact O-N 3.08Å; I370-L373 PolarHBondContact O-N 3.39Å; L373-E376 PolarHBondContact O-N 2.86Å; L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.65Å
374E63.1Low66.8Low121 Ų121100.7 Ų100.757%0.56550%0.5SS*.Hα-helixtrans-65.8-41.3172-71.9-174-179.100111.5I370 E376 L377 H378I370-E374 HydrophobicContact CG2-CG 4.28Å; I370-E374 PolarHBondContact O-N 2.84Å; E374-E376 PolarHBondContact O-N 3.17Å; E374-L377 PolarHBondContact O-N 3.38Å; E374-H378 WeakPolarHBondContact O-CB 3.46Å; E374-H378 PolarHBondContact O-N 2.96Å
375S71.2Confident66.4Low82 Ų82102 Ų10257%0.57350%0.504SS*.Hα-helixtrans-62.1-40.3173.6-171.50000112.6D371 H372 S379D371-S375 WeakPolarHBondContact O-CB 3.4Å; D371-S375 PolarHBondContact O-N 3.26Å; D371-S375 VanDerWaalsContact O-N 3.08Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.83Å; S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 VanDerWaalsContact O-N 3.16Å
376E67.6Low66.2Low88 Ų88103.8 Ų103.841%0.41151%0.512SS..Hα-helixtrans-67.1-45172.3-71.6-165.3160.800112.1H372 L373 E374 H378 S379 Y380H372-E376 IonicContact CE1-OE1 2.64Å; H372-E376 PolarHBondContact CE1-OE1 2.61Å; H372-E376 PolarHBondContact O-N 3.37Å; L373-E376 PolarHBondContact O-N 2.86Å; E374-E376 PolarHBondContact O-N 3.17Å; E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 3.28Å; E376-S379 VanDerWaalsContact O-CB 3.29Å; E376-S379 WeakPolarHBondContact O-CB 3.35Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.13Å; E376-Y380 HydrophobicContact CB-CE2 4.32Å; E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.29Å
377L64.6Low66.7Low110 Ų110102.7 Ų102.758%0.57651%0.51SS*.Hα-helixtrans-57.5-40.9175.9-83.8166.6000112.3L373 E374 S379 Y380 Q381L373-L377 WeakPolarHBondContact O-CB 3.18Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 2.65Å; E374-L377 PolarHBondContact O-N 3.38Å; L377-S379 VanDerWaalsContact C-N 3.34Å; L377-Y380 PolarHBondContact O-N 3.42Å; L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.13Å
378H67.7Low66.8Low113 Ų113101.6 Ų101.652%0.52350%0.502SS..Hα-helixtrans-70.1-32.1178.4-156.152.9000112.2E374 E376 Q381 N382E374-H378 WeakPolarHBondContact O-CB 3.46Å; E374-H378 PolarHBondContact O-N 2.96Å; E376-H378 VanDerWaalsContact C-N 3.3Å; E376-H378 PolarHBondContact O-N 3.28Å; H378-Q381 PolarHBondContact ND1-OE1 3.18Å; H378-Q381 PolarHBondContact O-N 2.96Å; H378-N382 PolarHBondContact O-N 3.5Å; H378-N382 VanDerWaalsContact O-N 3.11Å; H378-N382 PolarHBondContact O-ND2 3.44Å
379S70.7Confident66.4Low66 Ų66103.3 Ų103.346%0.46251%0.512SS..Hα-helixtrans-62.6-46.4168.5-169.10000111.7S375 E376 L377 Q381 N382 I383S375-S379 PolarHBondContact O-N 3.32Å; S375-S379 VanDerWaalsContact O-N 3.16Å; E376-S379 VanDerWaalsContact O-CB 3.29Å; E376-S379 WeakPolarHBondContact O-CB 3.35Å; E376-S379 PolarHBondContact O-N 2.92Å; E376-S379 VanDerWaalsContact O-N 3.13Å; L377-S379 VanDerWaalsContact C-N 3.34Å; S379-Q381 PolarHBondContact O-N 3.27Å; S379-N382 PolarHBondContact O-N 3.29Å; S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 2.98Å; S379-I383 VanDerWaalsContact O-N 3.13Å
380Y55.6Low66.5Low123 Ų123101.8 Ų101.848%0.48251%0.507SS..Hα-helixtrans-64-36.9175.2-71.5-65.2000112.9E376 L377 I383 Q384E376-Y380 HydrophobicContact CB-CE2 4.32Å; E376-Y380 WeakPolarHBondContact O-CD2 3.45Å; E376-Y380 PolarHBondContact O-N 3.29Å; L377-Y380 PolarHBondContact O-N 3.42Å; Y380-I383 PolarHBondContact O-N 3.29Å; Y380-Q384 WeakPolarHBondContact O-CB 3.41Å; Y380-Q384 PolarHBondContact O-N 3.41Å
381Q66.9Low66.9Low99 Ų99103.7 Ų103.746%0.46351%0.512SS..Hα-helixtrans-61-44.5173.9-78.9-179.5-29.300112.3L377 H378 S379 Q384 Q385L377-Q381 WeakPolarHBondContact O-CG 3.4Å; L377-Q381 PolarHBondContact O-N 3.13Å; H378-Q381 PolarHBondContact ND1-OE1 3.18Å; H378-Q381 PolarHBondContact O-N 2.96Å; S379-Q381 PolarHBondContact O-N 3.27Å; Q381-Q384 PolarHBondContact O-N 3.04Å; Q381-Q385 WeakPolarHBondContact O-CG 3.49Å; Q381-Q385 PolarHBondContact O-N 3.26Å
382N68.8Low67.2Low78 Ų78103.4 Ų103.442%0.41751%0.51SS..Hα-helixtrans-62.2-44.6176.4-74.6-35.6000111.5H378 S379 Q384 Q385 E386H378-N382 PolarHBondContact O-N 3.5Å; H378-N382 VanDerWaalsContact O-N 3.11Å; H378-N382 PolarHBondContact O-ND2 3.44Å; S379-N382 PolarHBondContact O-N 3.29Å; N382-Q384 VanDerWaalsContact C-N 3.28Å; N382-Q384 PolarHBondContact O-N 3Å; N382-Q385 PolarHBondContact O-N 3.33Å; N382-E386 PolarHBondContact O-N 3.23Å
383I66.4Low67.1Low82 Ų82105 Ų10542%0.42151%0.512SS..Hα-helixtrans-62.5-35.4175.5-65.6167.8000111.2S379 Y380 N387S379-I383 WeakPolarHBondContact O-CG1 3.41Å; S379-I383 PolarHBondContact O-N 2.98Å; S379-I383 VanDerWaalsContact O-N 3.13Å; Y380-I383 PolarHBondContact O-N 3.29Å; I383-N387 WeakPolarHBondContact O-CB 3.33Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 3.27Å
384Q64Low67Low129 Ų129106.8 Ų106.860%0.60351%0.513SS*.Hα-helixtrans-68.9-41.3175.1-172.2176.10.400112Y380 Q381 N382 N387 E388Y380-Q384 WeakPolarHBondContact O-CB 3.41Å; Y380-Q384 PolarHBondContact O-N 3.41Å; Q381-Q384 PolarHBondContact O-N 3.04Å; N382-Q384 VanDerWaalsContact C-N 3.28Å; N382-Q384 PolarHBondContact O-N 3Å; Q384-N387 PolarHBondContact O-N 3.17Å; Q384-E388 PolarHBondContact O-N 2.85Å
385Q62.8Low67.3Low122 Ų122105.7 Ų105.757%0.5751%0.508SS*.Hα-helixtrans-64.2-41.8175.2-71.8-179.112.200112Q381 N382 N387 E388 H389Q381-Q385 WeakPolarHBondContact O-CG 3.49Å; Q381-Q385 PolarHBondContact O-N 3.26Å; N382-Q385 PolarHBondContact O-N 3.33Å; Q385-N387 PolarHBondContact O-N 3.3Å; Q385-E388 PolarHBondContact O-N 3.19Å; Q385-H389 WeakPolarHBondContact O-CB 3.4Å; Q385-H389 PolarHBondContact O-N 3.46Å
386E68.2Low67.3Low132 Ų132105.8 Ų105.862%0.61750%0.502SS*.Hα-helixtrans-61.2-42.5173.3-73.1-172.6163.700111.9N382 H389 L390N382-E386 PolarHBondContact O-N 3.23Å; E386-H389 PolarHBondContact O-N 3.27Å; E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3.01Å
387N67.8Low67.3Low92 Ų92104.4 Ų104.449%0.49250%0.497SS..Hα-helixtrans-67.7-39.4177.6-84.3-75.1000113I383 Q384 Q385 L390 K391I383-N387 WeakPolarHBondContact O-CB 3.33Å; I383-N387 PolarHBondContact O-N 3.29Å; I383-N387 PolarHBondContact O-ND2 3.27Å; Q384-N387 PolarHBondContact O-N 3.17Å; Q385-N387 PolarHBondContact O-N 3.3Å; N387-L390 PolarHBondContact O-N 2.92Å; N387-K391 VanDerWaalsContact O-CB 3.27Å; N387-K391 WeakPolarHBondContact O-CB 3.43Å; N387-K391 PolarHBondContact O-N 3.38Å
388E67.6Low67.5Low75 Ų75105 Ų10535%0.3550%0.495SS..Hα-helixtrans-68.4-36.7173.4-75.3-60.7150.700111.9Q384 Q385 L390 K391 I392Q384-E388 PolarHBondContact O-N 2.85Å; Q385-E388 PolarHBondContact O-N 3.19Å; E388-L390 PolarHBondContact O-N 2.8Å; E388-K391 PolarHBondContact O-N 3.28Å; E388-K391 IonicContact OE1-NZ 3.1Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 IonicContact OE2-NZ 2.63Å; E388-K391 PolarHBondContact OE2-NZ 2.81Å; E388-I392 WeakPolarHBondContact O-CB 3.45Å; E388-I392 VanDerWaalsContact O-CG1 3.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.46Å; E388-I392 PolarHBondContact O-N 2.71Å
389H66.8Low67.6Low143 Ų143103.5 Ų103.566%0.66249%0.491SS*.Hα-helixtrans-60.5-43.2170.2-98.8-76000112.4Q385 E386 Y393Q385-H389 WeakPolarHBondContact O-CB 3.4Å; Q385-H389 PolarHBondContact O-N 3.46Å; E386-H389 PolarHBondContact O-N 3.27Å; H389-Y393 WeakPolarHBondContact O-CB 3.44Å; H389-Y393 PolarHBondContact O-N 2.86Å
390L70.8Confident67.6Low86 Ų86106.4 Ų106.445%0.4550%0.497SS..Hα-helixtrans-63-41.7173.4-90.1154.3000112.1E386 N387 E388 Y393 Y394E386-L390 WeakPolarHBondContact O-CB 3.4Å; E386-L390 PolarHBondContact O-N 3.01Å; N387-L390 PolarHBondContact O-N 2.92Å; E388-L390 PolarHBondContact O-N 2.8Å; L390-Y393 WeakPolarHBondContact O-CB 3.45Å; L390-Y393 PolarHBondContact O-N 3.45Å; L390-Y394 HydrophobicContact CD2-CE2 3.93Å; L390-Y394 WeakPolarHBondContact O-CD2 3.4Å; L390-Y394 PolarHBondContact O-N 3.44Å
391K72.7Confident67.9Low121 Ų121104.3 Ų104.353%0.52649%0.494SS..Hα-helixtrans-65.6-43.8177.4176.5164.5155.4-109.20111.8N387 E388 Y393 Y394 Q395N387-K391 VanDerWaalsContact O-CB 3.27Å; N387-K391 WeakPolarHBondContact O-CB 3.43Å; N387-K391 PolarHBondContact O-N 3.38Å; E388-K391 PolarHBondContact O-N 3.28Å; E388-K391 IonicContact OE1-NZ 3.1Å; E388-K391 PolarHBondContact OE1-NZ 3.48Å; E388-K391 IonicContact OE2-NZ 2.63Å; E388-K391 PolarHBondContact OE2-NZ 2.81Å; K391-Y393 VanDerWaalsContact C-N 3.35Å; K391-Y394 PolarHBondContact O-N 2.7Å; K391-Q395 VanDerWaalsContact O-CB 3.28Å; K391-Q395 WeakPolarHBondContact O-CB 3.49Å; K391-Q395 PolarHBondContact O-N 3.01Å
392I71.6Confident67.9Low92 Ų92104.1 Ų104.147%0.47249%0.492SS..Hα-helixtrans-63.2-39.9172.6-69.4165.3000111E388 N396E388-I392 WeakPolarHBondContact O-CB 3.45Å; E388-I392 VanDerWaalsContact O-CG1 3.25Å; E388-I392 WeakPolarHBondContact O-CG1 3.46Å; E388-I392 PolarHBondContact O-N 2.71Å; I392-N396 WeakPolarHBondContact O-CB 3.24Å; I392-N396 PolarHBondContact O-N 2.9Å; I392-N396 PolarHBondContact O-ND2 3.32Å
393Y70.3Confident67.9Low149 Ų149107 Ų10758%0.58450%0.501SS*.Hα-helixtrans-63.3-49.1175.1176.7-97.6000111.9H389 L390 K391 N396 L397H389-Y393 WeakPolarHBondContact O-CB 3.44Å; H389-Y393 PolarHBondContact O-N 2.86Å; L390-Y393 WeakPolarHBondContact O-CB 3.45Å; L390-Y393 PolarHBondContact O-N 3.45Å; K391-Y393 VanDerWaalsContact C-N 3.35Å; Y393-N396 PolarHBondContact O-N 2.78Å; Y393-L397 WeakPolarHBondContact O-CB 3.43Å; Y393-L397 PolarHBondContact O-N 2.79Å
394Y61.8Low67.6Low139 Ų139110 Ų11055%0.54551%0.512SS..Hα-helixtrans-66-37.9176.8-78.9-61.8000112.8L390 K391 L397 F398L390-Y394 HydrophobicContact CD2-CE2 3.93Å; L390-Y394 WeakPolarHBondContact O-CD2 3.4Å; L390-Y394 PolarHBondContact O-N 3.44Å; K391-Y394 PolarHBondContact O-N 2.7Å; Y394-L397 PolarHBondContact O-N 2.73Å; Y394-F398 WeakPolarHBondContact O-CB 3.49Å; Y394-F398 PolarHBondContact O-N 3.46Å
395Q69.6Low67.5Low99 Ų99109.5 Ų109.546%0.46351%0.507SS..Hα-helixtrans-66-40.3175.4-171.36247.500111.3K391 F398 N399K391-Q395 VanDerWaalsContact O-CB 3.28Å; K391-Q395 WeakPolarHBondContact O-CB 3.49Å; K391-Q395 PolarHBondContact O-N 3.01Å; Q395-F398 PolarHBondContact O-N 2.83Å; Q395-N399 PolarHBondContact NE2-OD1 3.38Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.41Å; Q395-N399 PolarHBondContact O-N 3.33Å; Q395-N399 PolarHBondContact O-ND2 2.84Å; Q395-N399 PolarHBondContact O-OD1 3.11Å
396N70.7Confident67.4Low83 Ų83106 Ų10644%0.44450%0.497SS..Hα-helixtrans-64.7-40.8173.6-85.2-54.2000112.3I392 Y393 N399 Q400I392-N396 WeakPolarHBondContact O-CB 3.24Å; I392-N396 PolarHBondContact O-N 2.9Å; I392-N396 PolarHBondContact O-ND2 3.32Å; Y393-N396 PolarHBondContact O-N 2.78Å; N396-N399 PolarHBondContact O-N 3.29Å; N396-Q400 WeakPolarHBondContact O-CB 3.25Å; N396-Q400 VanDerWaalsContact O-CG 3.29Å; N396-Q400 WeakPolarHBondContact O-CG 3.49Å; N396-Q400 PolarHBondContact O-N 2.85Å
397L68.6Low67Low60 Ų60103.9 Ų103.931%0.31449%0.489SS..Hα-helixtrans-64.3-42174.8-172.465.4000111.5Y393 Y394 Q400 I401Y393-L397 WeakPolarHBondContact O-CB 3.43Å; Y393-L397 PolarHBondContact O-N 2.79Å; Y394-L397 PolarHBondContact O-N 2.73Å; L397-Q400 PolarHBondContact O-N 2.92Å; L397-I401 HydrophobicContact CG-CD1 4.23Å; L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.21Å
398F68.5Low66.3Low122 Ų122103 Ų10354%0.53548%0.484SS..Hα-helixtrans-63.8-44.8174.6-173.2-92.6000111.7Y394 Q395 Q400 I401 H402Y394-F398 WeakPolarHBondContact O-CB 3.49Å; Y394-F398 PolarHBondContact O-N 3.46Å; Q395-F398 PolarHBondContact O-N 2.83Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.83Å; F398-I401 PolarHBondContact O-N 3.36Å; F398-H402 WeakPolarHBondContact O-CB 3.49Å; F398-H402 PolarHBondContact O-N 2.88Å
399N69.5Low65.5Low81 Ų81107.6 Ų107.643%0.43350%0.503SS..Hα-helixtrans-61.1-39.6175.8-71.1-9.4000111.6Q395 N396 H402 K403Q395-N399 PolarHBondContact NE2-OD1 3.38Å; Q395-N399 VanDerWaalsContact O-CB 3.29Å; Q395-N399 WeakPolarHBondContact O-CB 3.41Å; Q395-N399 PolarHBondContact O-N 3.33Å; Q395-N399 PolarHBondContact O-ND2 2.84Å; Q395-N399 PolarHBondContact O-OD1 3.11Å; N396-N399 PolarHBondContact O-N 3.29Å; N399-H402 PolarHBondContact O-N 3.31Å; N399-K403 VanDerWaalsContact O-CB 3.24Å; N399-K403 WeakPolarHBondContact O-CB 3.41Å; N399-K403 PolarHBondContact O-N 3.3Å
400Q71.2Confident64.8Low128 Ų128106.4 Ų106.460%0.59850%0.502SS*.Hα-helixtrans-64.3-45.6173.6-74.5174.940.400111.9N396 L397 F398 K403 F404N396-Q400 WeakPolarHBondContact O-CB 3.25Å; N396-Q400 VanDerWaalsContact O-CG 3.29Å; N396-Q400 WeakPolarHBondContact O-CG 3.49Å; N396-Q400 PolarHBondContact O-N 2.85Å; L397-Q400 PolarHBondContact O-N 2.92Å; F398-Q400 VanDerWaalsContact C-N 3.32Å; F398-Q400 PolarHBondContact O-N 2.83Å; Q400-K403 PolarHBondContact O-N 3.24Å; Q400-F404 WeakPolarHBondContact O-CB 3.46Å; Q400-F404 PolarHBondContact O-N 3.31Å
401I61.6Low63.5Low79 Ų79105.8 Ų105.841%0.40550%0.498SS..Hα-helixtrans-62.8-42.6176-69165.2000110.9L397 F398 F404 K405 I454L397-I401 HydrophobicContact CG-CD1 4.23Å; L397-I401 VanDerWaalsContact O-CG1 3.32Å; L397-I401 WeakPolarHBondContact O-CG1 3.48Å; L397-I401 PolarHBondContact O-N 3.21Å; F398-I401 PolarHBondContact O-N 3.36Å; I401-F404 PolarHBondContact O-N 2.88Å; I401-K405 VanDerWaalsContact O-CB 3.29Å; I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 2.93Å; I401-I454 HydrophobicContact CD1-CD1 4.4Å
402H66.6Low62.1Low95 Ų95106 Ų10644%0.4451%0.505SS..Hα-helixtrans-70.6-34.2-179.8-147-87.6000112.1F398 N399 S406F398-H402 WeakPolarHBondContact O-CB 3.49Å; F398-H402 PolarHBondContact O-N 2.88Å; N399-H402 PolarHBondContact O-N 3.31Å; H402-S406 VanDerWaalsContact O-CB 3.31Å; H402-S406 WeakPolarHBondContact O-CB 3.23Å; H402-S406 PolarHBondContact O-N 2.88Å
403K68.4Low60.7Low138 Ų138107.4 Ų107.460%0.651%0.513SS*.Hα-helixtrans-65.3-48.6169.6-176.2170-179.2176.30111.4N399 Q400 K405 S406 D407N399-K403 VanDerWaalsContact O-CB 3.24Å; N399-K403 WeakPolarHBondContact O-CB 3.41Å; N399-K403 PolarHBondContact O-N 3.3Å; Q400-K403 PolarHBondContact O-N 3.24Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 2.75Å; K403-S406 CarbonylContact O-C 3.34Å; K403-S406 WeakPolarHBondContact O-CA 3.48Å; K403-S406 WeakPolarHBondContact O-CB 3.31Å; K403-S406 PolarHBondContact O-N 2.7Å; K403-D407 WeakPolarHBondContact O-CB 3.16Å; K403-D407 VanDerWaalsContact O-CG 3.31Å; K403-D407 PolarHBondContact O-N 2.88Å
404F61.2Low59.6Low146 Ų146108.4 Ų108.464%0.6452%0.521SS*.Hα-helixtrans-60.2-40.1177.4-161.8-106000112.1Q400 I401 I408Q400-F404 WeakPolarHBondContact O-CB 3.46Å; Q400-F404 PolarHBondContact O-N 3.31Å; I401-F404 PolarHBondContact O-N 2.88Å; F404-I408 HydrophobicContact CD1-CD1 3.68Å; F404-I408 HydrophobicContact CE1-CD1 3.6Å; F404-I408 HydrophobicContact CZ-CD1 4.35Å; F404-I408 WeakPolarHBondContact O-CB 3.14Å; F404-I408 VanDerWaalsContact O-CG1 3.28Å; F404-I408 WeakPolarHBondContact O-CG1 3.46Å; F404-I408 PolarHBondContact O-N 3.44Å
405K60.4Low58.9Low117 Ų117108.4 Ų108.451%0.50952%0.524SS..Hα-helixtrans-62.3-42.6171.3-178.5-174174.2-167.30112.1I401 K403 F409I401-K405 VanDerWaalsContact O-CB 3.29Å; I401-K405 WeakPolarHBondContact O-CB 3.32Å; I401-K405 PolarHBondContact O-N 2.93Å; K403-K405 VanDerWaalsContact C-N 3.31Å; K403-K405 PolarHBondContact O-N 2.75Å; K405-F409 PolarHBondContact O-N 2.92Å
406S60.8Low57.7Low50 Ų50107.6 Ų107.635%0.3552%0.522SS..Hα-helixtrans-66.5-43.8176.8-1710000112H402 K403 I408 F409 N410H402-S406 VanDerWaalsContact O-CB 3.31Å; H402-S406 WeakPolarHBondContact O-CB 3.23Å; H402-S406 PolarHBondContact O-N 2.88Å; K403-S406 CarbonylContact O-C 3.34Å; K403-S406 WeakPolarHBondContact O-CA 3.48Å; K403-S406 WeakPolarHBondContact O-CB 3.31Å; K403-S406 PolarHBondContact O-N 2.7Å; S406-I408 VanDerWaalsContact C-N 3.32Å; S406-I408 PolarHBondContact O-N 3.42Å; S406-F409 PolarHBondContact O-N 3.28Å; S406-N410 VanDerWaalsContact O-CB 3.24Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 2.92Å; S406-N410 PolarHBondContact O-ND2 3.14Å; S406-N410 PolarHBondContact OG-ND2 3.01Å; S406-N410 VanDerWaalsContact OG-ND2 3.09Å
407D61.2Low56.6Low87 Ų87110 Ų11047%0.46553%0.534SS..Hα-helixtrans-63.5-39.2177.2-68-28.1000110.7K403 L411K403-D407 WeakPolarHBondContact O-CB 3.16Å; K403-D407 VanDerWaalsContact O-CG 3.31Å; K403-D407 PolarHBondContact O-N 2.88Å; D407-L411 WeakPolarHBondContact O-CG 3.35Å; D407-L411 PolarHBondContact O-N 2.75Å
408I53.3Low55.6Low72 Ų72113.4 Ų113.437%0.36955%0.548SS..Hα-helixtrans-65.6-42.8172.7-73.2169.7000112.2F404 S406F404-I408 HydrophobicContact CD1-CD1 3.68Å; F404-I408 HydrophobicContact CE1-CD1 3.6Å; F404-I408 HydrophobicContact CZ-CD1 4.35Å; F404-I408 WeakPolarHBondContact O-CB 3.14Å; F404-I408 VanDerWaalsContact O-CG1 3.28Å; F404-I408 WeakPolarHBondContact O-CG1 3.46Å; F404-I408 PolarHBondContact O-N 3.44Å; S406-I408 VanDerWaalsContact C-N 3.32Å; S406-I408 PolarHBondContact O-N 3.42Å
409F50.5Low54.3Low172 Ų172113.7 Ų113.775%0.75456%0.555SS**Hα-helixtrans-73.6-29.1178.5-110.1-96.4000113.3K405 S406 L411K405-F409 PolarHBondContact O-N 2.92Å; S406-F409 PolarHBondContact O-N 3.28Å; F409-L411 VanDerWaalsContact C-N 3.31Å
410N51.6Low52.7Low119 Ų119117.9 Ų117.964%0.63657%0.565SS**THydrogen-bonded Turntrans-86.44.7177.4-74.3-60.2000113.8S406 N412S406-N410 VanDerWaalsContact O-CB 3.24Å; S406-N410 WeakPolarHBondContact O-CB 3.34Å; S406-N410 PolarHBondContact O-N 2.92Å; S406-N410 PolarHBondContact O-ND2 3.14Å; S406-N410 PolarHBondContact OG-ND2 3.01Å; S406-N410 VanDerWaalsContact OG-ND2 3.09Å; N410-N412 PolarHBondContact O-N 3.09Å
411L44.5Very low51.1Low72 Ų72117.2 Ų117.238%0.37757%0.572SS.*  trans-69.861.8161.7-80.1168.9000111D407 F409 L416 L419D407-L411 WeakPolarHBondContact O-CG 3.35Å; D407-L411 PolarHBondContact O-N 2.75Å; F409-L411 VanDerWaalsContact C-N 3.31Å; L411-L416 HydrophobicContact CB-CD1 4.33Å; L411-L419 HydrophobicContact CD2-CD1 4.15Å
412N42.1Very low50.3Low125 Ų125120 Ų12067%0.66859%0.587SS**  trans-60.8138.8177.2-156.5-27.3000109.5N410 K414 K415N410-N412 PolarHBondContact O-N 3.09Å; N412-K414 PolarHBondContact O-N 3.4Å; N412-K415 PolarHBondContact O-N 2.91Å
413N43Very low48.7Very low122 Ų122123.8 Ų123.865%0.65260%0.602SS**Hα-helixtrans-49.5-24.7-159.6-79.2-53.5000115.9I417N413-I417 WeakPolarHBondContact O-CD1 3.44Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å
414K47.1Very low47.1Very low170 Ų170124 Ų12474%0.73961%0.609SS**Hα-helixtrans-68.1-34.6179.7-151.7171.7-175.4-179.90114N412N412-K414 PolarHBondContact O-N 3.4Å
415K46.4Very low45.7Very low139 Ų139124.7 Ų124.760%0.60462%0.62SS**Hα-helixtrans-87-24.8177-78.8-172.3173.5-177.60113.6N412 I417 E418 L419N412-K415 PolarHBondContact O-N 2.91Å; K415-I417 PolarHBondContact O-N 3.43Å; K415-E418 PolarHBondContact O-N 2.83Å; K415-L419 PolarHBondContact O-N 2.88Å; K415-L419 VanDerWaalsContact O-N 3.16Å
416L44.5Very low44.6Very low82 Ų82123.8 Ų123.843%0.42963%0.629SS.*Hα-helixtrans-61.4-27.7171.3-117164.5000112L411L411-L416 HydrophobicContact CB-CD1 4.33Å
417I48.6Very low43.1Very low134 Ų134128.3 Ų128.369%0.68765%0.646SS**THydrogen-bonded Turntrans-75.2-31.4173.3-67.3165.6000112.1N413 K415N413-I417 WeakPolarHBondContact O-CD1 3.44Å; N413-I417 WeakPolarHBondContact O-CG1 3.31Å; K415-I417 PolarHBondContact O-N 3.43Å
418E46.7Very low41.9Very low132 Ų132132.7 Ų132.762%0.61767%0.67SS**THydrogen-bonded Turntrans-84-20.6-177.2-66.4175.215400113.2K415 P421K415-E418 PolarHBondContact O-N 2.83Å; E418-P421 WeakPolarHBondContact O-CD 3.4Å
419L41.4Very low41.3Very low128 Ų128133.6 Ų133.667%0.6768%0.682SS**THydrogen-bonded Turntrans-93.55.3-178.8-71.8171.3000115L411 K415L411-L419 HydrophobicContact CD2-CD1 4.15Å; K415-L419 PolarHBondContact O-N 2.88Å; K415-L419 VanDerWaalsContact O-N 3.16Å
420Y35.8Very low40.4Very low168 Ų168131.3 Ų131.366%0.65968%0.677SS**  trans-92.33.6-178.9-146.7-100.9000118.8I422Y420-I422 PolarHBondContact O-N 3.25Å
421P37.8Very low39.3Very low115 Ų115136.2 Ų136.275%0.74769%0.693SS**THydrogen-bonded Turntrans-81.145.5-169.437-39000114.6E418E418-P421 WeakPolarHBondContact O-CD 3.4Å
422I44.2Very low39.1Very low138 Ų138136.1 Ų136.171%0.70869%0.693SS**THydrogen-bonded Turntrans-126-15.7-176.5-64.4-177.3000113.7Y420Y420-I422 PolarHBondContact O-N 3.25Å
423F33.6Very low38.8Very low174 Ų174136.3 Ų136.376%0.76369%0.693SS**SBendtrans-114.7106.1176.4-80.7-84.7000113
424N33.7Very low39Very low141 Ų141135.2 Ų135.275%0.75468%0.684SS**  trans-60.4140.8-170-83.9-2.6000117.2S426N424-S426 PolarHBondContact O-N 3.4Å
425D32.9Very low39Very low161 Ų161132.1 Ų132.186%0.86168%0.675SS**SBend41.249.7127.6-59.2-10.9000119.3
426S36.2Very low39.1Very low99 Ų99132.3 Ų132.369%0.69268%0.682SS**  trans-158.8160159.7-162.90000112.9N424N424-S426 PolarHBondContact O-N 3.4Å
427M30.7Very low39.4Very low145 Ų145133.5 Ų133.571%0.71469%0.685SS**  trans62.645.4169.2-60.2-60-167.400118.1S429M427-S429 PolarHBondContact O-N 3.25Å
428N36.3Very low39.6Very low179 Ų179131.3 Ų131.396%0.95768%0.675SS**THydrogen-bonded Turntrans-74.146.3168.6-149.5-3.1000112.7
429S39.6Very low39.9Very low90 Ų90131.2 Ų131.263%0.62967%0.673SS**THydrogen-bonded Turntrans-150.4-5.9-17062.50000116.4M427M427-S429 PolarHBondContact O-N 3.25Å
430L30.7Very low40.7Very low125 Ų125131.1 Ų131.165%0.65467%0.667SS**  trans-112.686.4172.4-105.581.9000112N432L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.97Å
431F30.2Very low42.2Very low222 Ų222127.5 Ų127.597%0.97466%0.659SS**  trans-69.186.9160.8-150.5-81.7000107.9
432N39.2Very low43.4Very low69 Ų69127.7 Ų127.737%0.36965%0.648SS.*  trans-122.1118-174.6-165.33.8000112.5L430 Q434 N435L430-N432 VanDerWaalsContact C-N 3.29Å; L430-N432 PolarHBondContact O-N 2.97Å; N432-Q434 PolarHBondContact O-N 3.41Å; N432-Q434 VanDerWaalsContact O-N 3.13Å; N432-Q434 PolarHBondContact OD1-N 3.13Å; N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 VanDerWaalsContact O-N 3.12Å
433I35.3Very low44Very low129 Ų129123.4 Ų123.466%0.66263%0.626SS**THydrogen-bonded Turntrans-55.1-31.4-180-66167.2000111.5N435 L436 E437I433-N435 PolarHBondContact O-N 3.05Å; I433-L436 PolarHBondContact O-N 3.34Å; I433-E437 PolarHBondContact O-N 2.99Å
434Q47.8Very low45.6Very low100 Ų100119.4 Ų119.447%0.46761%0.609SS.*Hα-helixtrans-48.3-31.2175.3-135.595.274.900114.1N432 E437 N438N432-Q434 PolarHBondContact O-N 3.41Å; N432-Q434 VanDerWaalsContact O-N 3.13Å; N432-Q434 PolarHBondContact OD1-N 3.13Å; Q434-E437 PolarHBondContact NE2-OE2 2.84Å; Q434-E437 PolarHBondContact O-N 3.23Å; Q434-N438 WeakPolarHBondContact O-CB 3.25Å; Q434-N438 PolarHBondContact O-N 2.97Å; Q434-N438 PolarHBondContact O-ND2 3.15Å; Q434-N438 VanDerWaalsContact O-ND2 3.14Å
435N47.2Very low47.4Very low105 Ų105117.1 Ų117.156%0.56160%0.597SS**Hα-helixtrans-80.2-26.5-177.7-75.6-9.6000113.6N432 I433 F439N432-N435 PolarHBondContact O-N 3.16Å; N432-N435 VanDerWaalsContact O-N 3.12Å; I433-N435 PolarHBondContact O-N 3.05Å; N435-F439 PolarHBondContact O-N 3.05Å; N435-F439 VanDerWaalsContact O-N 3.16Å
436L47.7Very low48.9Very low143 Ų143113.5 Ų113.575%0.74958%0.577SS**Hα-helixtrans-73.4-38.2165.9-94.580000110.8I433 F439 K440I433-L436 PolarHBondContact O-N 3.34Å; L436-F439 PolarHBondContact O-N 3.45Å; L436-K440 WeakPolarHBondContact O-CB 3.48Å; L436-K440 PolarHBondContact O-N 3.43Å
437E52.3Low50.4Low107 Ų107113.6 Ų113.650%0.557%0.569SS.*Hα-helixtrans-62.1-44.5173.3-76.1-177.9136.600111.8I433 Q434 F439 K440 L441I433-E437 PolarHBondContact O-N 2.99Å; Q434-E437 PolarHBondContact NE2-OE2 2.84Å; Q434-E437 PolarHBondContact O-N 3.23Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 3.32Å; E437-K440 PolarHBondContact O-N 3.18Å; E437-L441 VanDerWaalsContact O-CB 3.27Å; E437-L441 WeakPolarHBondContact O-CB 3.45Å; E437-L441 PolarHBondContact O-N 2.9Å
438N51.5Low52.3Low87 Ų87113.8 Ų113.847%0.46556%0.563SS.*Hα-helixtrans-62.1-38.7175.7-73.4-28.7000112.1Q434 F442Q434-N438 WeakPolarHBondContact O-CB 3.25Å; Q434-N438 PolarHBondContact O-N 2.97Å; Q434-N438 PolarHBondContact O-ND2 3.15Å; Q434-N438 VanDerWaalsContact O-ND2 3.14Å; N438-F442 VanDerWaalsContact O-CB 3.29Å; N438-F442 WeakPolarHBondContact O-CB 3.33Å; N438-F442 PolarHBondContact O-N 3.14Å
439F53.6Low53.8Low130 Ų130109.4 Ų109.457%0.5754%0.54SS*.Hα-helixtrans-68.6-42175.2-171.6-101.6000111.8N435 L436 E437 F442 I443N435-F439 PolarHBondContact O-N 3.05Å; N435-F439 VanDerWaalsContact O-N 3.16Å; L436-F439 PolarHBondContact O-N 3.45Å; E437-F439 VanDerWaalsContact C-N 3.33Å; E437-F439 PolarHBondContact O-N 3.32Å; F439-F442 PolarHBondContact O-N 3.42Å; F439-I443 HydrophobicContact CD1-CG1 4.36Å; F439-I443 HydrophobicContact CE1-CD1 4.44Å; F439-I443 HydrophobicContact CE1-CG1 4.07Å; F439-I443 HydrophobicContact CZ-CD1 4.35Å; F439-I443 HydrophobicContact CZ-CG1 4.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.48Å; F439-I443 PolarHBondContact O-N 2.93Å
440K57.8Low54.7Low126 Ų126108.5 Ų108.555%0.54853%0.53SS..Hα-helixtrans-61.3-44.1173.5-177.3173.8-177.8-79.10111.7L436 E437 F442 I443 E444L436-K440 WeakPolarHBondContact O-CB 3.48Å; L436-K440 PolarHBondContact O-N 3.43Å; E437-K440 PolarHBondContact O-N 3.18Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 2.96Å; K440-I443 PolarHBondContact O-N 3.43Å; K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 IonicContact NZ-OE1 3.57Å; K440-E444 PolarHBondContact NZ-OE1 3.35Å; K440-E444 WeakPolarHBondContact O-CB 3.14Å; K440-E444 WeakPolarHBondContact O-CG 3.2Å; K440-E444 PolarHBondContact O-N 3.12Å
441L67.9Low56.4Low93 Ų93107.7 Ų107.749%0.48753%0.526SS..Hα-helixtrans-66-35.3177.3-166.373.5000111.8E437 E444 L445E437-L441 VanDerWaalsContact O-CB 3.27Å; E437-L441 WeakPolarHBondContact O-CB 3.45Å; E437-L441 PolarHBondContact O-N 2.9Å; L441-E444 PolarHBondContact O-N 2.71Å; L441-L445 HydrophobicContact CG-CD1 4.32Å; L441-L445 VanDerWaalsContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CB 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.03Å
442F63.4Low58.4Low118 Ų118100.6 Ų100.652%0.51850%0.495SS..Hα-helixtrans-66.6-40.4173.2179.1-107000112.2N438 F439 K440 L445 L446N438-F442 VanDerWaalsContact O-CB 3.29Å; N438-F442 WeakPolarHBondContact O-CB 3.33Å; N438-F442 PolarHBondContact O-N 3.14Å; F439-F442 PolarHBondContact O-N 3.42Å; K440-F442 VanDerWaalsContact C-N 3.34Å; K440-F442 PolarHBondContact O-N 2.96Å; F442-L445 PolarHBondContact O-N 3.28Å; F442-L446 HydrophobicContact CD1-CD1 3.97Å; F442-L446 HydrophobicContact CE1-CD1 3.47Å; F442-L446 VanDerWaalsContact CE1-CD1 3.47Å; F442-L446 HydrophobicContact CE1-CG 4.46Å; F442-L446 HydrophobicContact CE2-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD1 3.66Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CB 3.17Å; F442-L446 WeakPolarHBondContact O-CG 3.26Å; F442-L446 PolarHBondContact O-N 3.11Å
443I56.6Low59.2Low48 Ų48100.7 Ų100.725%0.24650%0.498CS..Hα-helixtrans-65.2-42.6171.9-66.8-70.4000111.1F439 K440 L446 L447F439-I443 HydrophobicContact CD1-CG1 4.36Å; F439-I443 HydrophobicContact CE1-CD1 4.44Å; F439-I443 HydrophobicContact CE1-CG1 4.07Å; F439-I443 HydrophobicContact CZ-CD1 4.35Å; F439-I443 HydrophobicContact CZ-CG1 4.38Å; F439-I443 WeakPolarHBondContact O-CG1 3.48Å; F439-I443 PolarHBondContact O-N 2.93Å; K440-I443 PolarHBondContact O-N 3.43Å; I443-L446 PolarHBondContact O-N 3.49Å; I443-L447 HydrophobicContact CG2-CD1 3.95Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 WeakPolarHBondContact O-CG 3.28Å; I443-L447 PolarHBondContact O-N 3.33Å
444E67.3Low60Low90 Ų9097.9 Ų97.942%0.42148%0.484SS..Hα-helixtrans-64.2-39.3176-75.6171.2-179.200112.2K440 L441 Y448K440-E444 WeakPolarHBondContact CE-OE1 3.39Å; K440-E444 IonicContact NZ-OE1 3.57Å; K440-E444 PolarHBondContact NZ-OE1 3.35Å; K440-E444 WeakPolarHBondContact O-CB 3.14Å; K440-E444 WeakPolarHBondContact O-CG 3.2Å; K440-E444 PolarHBondContact O-N 3.12Å; L441-E444 PolarHBondContact O-N 2.71Å; E444-Y448 VanDerWaalsContact O-CB 3.29Å; E444-Y448 WeakPolarHBondContact O-CB 3.48Å; E444-Y448 PolarHBondContact O-N 3.49Å
445L71.1Confident60.3Low93 Ų9399.5 Ų99.549%0.48749%0.491SS..Hα-helixtrans-67.5-44.5174.2-78.2165.5000112.3L441 F442 L447 Y448 D449L441-L445 HydrophobicContact CG-CD1 4.32Å; L441-L445 VanDerWaalsContact O-CB 3.32Å; L441-L445 WeakPolarHBondContact O-CB 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.39Å; L441-L445 PolarHBondContact O-N 3.03Å; F442-L445 PolarHBondContact O-N 3.28Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.48Å; L445-Y448 PolarHBondContact O-N 2.95Å; L445-D449 PolarHBondContact O-N 3.49Å
446L64.9Low60.3Low85 Ų8599.7 Ų99.745%0.44549%0.489SS..Hα-helixtrans-62.2-40.8175-82.4171.6000112F442 I443 T450F442-L446 HydrophobicContact CD1-CD1 3.97Å; F442-L446 HydrophobicContact CE1-CD1 3.47Å; F442-L446 VanDerWaalsContact CE1-CD1 3.47Å; F442-L446 HydrophobicContact CE1-CG 4.46Å; F442-L446 HydrophobicContact CE2-CD1 4.29Å; F442-L446 HydrophobicContact CZ-CD1 3.66Å; F442-L446 HydrophobicContact CZ-CG 4.32Å; F442-L446 WeakPolarHBondContact O-CB 3.17Å; F442-L446 WeakPolarHBondContact O-CG 3.26Å; F442-L446 PolarHBondContact O-N 3.11Å; I443-L446 PolarHBondContact O-N 3.49Å; L446-T450 VanDerWaalsContact O-CB 3.24Å; L446-T450 WeakPolarHBondContact O-CB 3.32Å; L446-T450 PolarHBondContact O-N 2.56Å; L446-T450 PolarHBondContact O-OG1 3.38Å
447L66.4Low60Low101 Ų10198.4 Ų98.453%0.52948%0.482SS..Hα-helixtrans-64.6-42173.3-76.3167.5000111.4I443 L445 T450 L451I443-L447 HydrophobicContact CG2-CD1 3.95Å; I443-L447 WeakPolarHBondContact O-CB 3.39Å; I443-L447 WeakPolarHBondContact O-CG 3.28Å; I443-L447 PolarHBondContact O-N 3.33Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.48Å; L447-T450 PolarHBondContact O-N 3.42Å; L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.43Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.01Å
448Y72.2Confident59.5Low149 Ų149100.6 Ų100.658%0.58449%0.49SS*.Hα-helixtrans-63-50.1177.3-177.2-96.3000112.1E444 L445 T450 L451 K452E444-Y448 VanDerWaalsContact O-CB 3.29Å; E444-Y448 WeakPolarHBondContact O-CB 3.48Å; E444-Y448 PolarHBondContact O-N 3.49Å; L445-Y448 PolarHBondContact O-N 2.95Å; Y448-T450 VanDerWaalsContact C-N 3.35Å; Y448-T450 PolarHBondContact O-N 3.27Å; Y448-L451 PolarHBondContact O-N 3.43Å; Y448-K452 HydrophobicContact CE1-CD 3.99Å; Y448-K452 WeakPolarHBondContact O-CB 3.45Å; Y448-K452 PolarHBondContact O-N 3.1Å
449D67.7Low58.8Low87 Ų87100.6 Ų100.647%0.46550%0.496SS..Hα-helixtrans-67.4-34.2178.8-80.7-20.6000112.1L445 T453L445-D449 PolarHBondContact O-N 3.49Å; D449-T453 VanDerWaalsContact O-CB 3.3Å; D449-T453 WeakPolarHBondContact O-CB 3.46Å; D449-T453 PolarHBondContact O-N 3.11Å; D449-T453 PolarHBondContact O-OG1 3.45Å
450T58.6Low58.3Low71 Ų71101.2 Ų101.244%0.43651%0.505SS..Hα-helixtrans-66.7-46.6173.7-55.70000111.1L446 L447 Y448 K452 T453 I454L446-T450 VanDerWaalsContact O-CB 3.24Å; L446-T450 WeakPolarHBondContact O-CB 3.32Å; L446-T450 PolarHBondContact O-N 2.56Å; L446-T450 PolarHBondContact O-OG1 3.38Å; L447-T450 PolarHBondContact O-N 3.42Å; Y448-T450 VanDerWaalsContact C-N 3.35Å; Y448-T450 PolarHBondContact O-N 3.27Å; T450-K452 PolarHBondContact O-N 2.93Å; T450-T453 PolarHBondContact O-N 3.49Å; T450-I454 HydrophobicContact CG2-CD1 4.11Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.38Å; T450-I454 PolarHBondContact O-N 2.99Å
451L64.9Low57.1Low108 Ų108100.6 Ų100.657%0.56552%0.515SS*.Hα-helixtrans-62.6-42175.8-75.2168.1000111.7L447 Y448 I454 Q455L447-L451 VanDerWaalsContact O-CB 3.28Å; L447-L451 WeakPolarHBondContact O-CB 3.4Å; L447-L451 WeakPolarHBondContact O-CD1 3.43Å; L447-L451 WeakPolarHBondContact O-CG 3.4Å; L447-L451 PolarHBondContact O-N 3.01Å; Y448-L451 PolarHBondContact O-N 3.43Å; L451-I454 PolarHBondContact O-N 3.14Å; L451-Q455 WeakPolarHBondContact O-CB 3.42Å; L451-Q455 PolarHBondContact O-N 3.26Å
452K72.2Confident55.7Low73 Ų73101.6 Ų101.632%0.31752%0.521SS..Hα-helixtrans-63.9-41.7176-178.8176.4172-63.70111.7Y448 T450 Q455 E456Y448-K452 HydrophobicContact CE1-CD 3.99Å; Y448-K452 WeakPolarHBondContact O-CB 3.45Å; Y448-K452 PolarHBondContact O-N 3.1Å; T450-K452 PolarHBondContact O-N 2.93Å; K452-Q455 CarbonylContact O-C 3.59Å; K452-Q455 WeakPolarHBondContact O-CB 3.33Å; K452-Q455 PolarHBondContact O-N 3.19Å; K452-Q455 VanDerWaalsContact O-N 3.14Å; K452-E456 VanDerWaalsContact CE-OE1 3.31Å; K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 VanDerWaalsContact NZ-CD 3.3Å; K452-E456 IonicContact NZ-OE1 3.97Å; K452-E456 PolarHBondContact NZ-OE1 2.97Å; K452-E456 IonicContact NZ-OE2 3.36Å; K452-E456 PolarHBondContact NZ-OE2 2.63Å; K452-E456 WeakPolarHBondContact O-CB 3.37Å; K452-E456 WeakPolarHBondContact O-CG 3.33Å; K452-E456 PolarHBondContact O-N 3.46Å
453T56.7Low54.6Low72 Ų72102.3 Ų102.344%0.44253%0.53SS..Hα-helixtrans-63.6-42.3174.6-55.80000111D449 T450 Q455 E456 L457D449-T453 VanDerWaalsContact O-CB 3.3Å; D449-T453 WeakPolarHBondContact O-CB 3.46Å; D449-T453 PolarHBondContact O-N 3.11Å; D449-T453 PolarHBondContact O-OG1 3.45Å; T450-T453 PolarHBondContact O-N 3.49Å; T453-Q455 VanDerWaalsContact C-N 3.28Å; T453-Q455 PolarHBondContact O-N 3.33Å; T453-E456 PolarHBondContact O-N 3.13Å; T453-L457 HydrophobicContact CG2-CD1 4.06Å; T453-L457 HydrophobicContact CG2-CG 4.48Å; T453-L457 WeakPolarHBondContact O-CB 3.48Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.33Å; T453-L457 PolarHBondContact O-N 3.39Å
454I51.9Low54Low70 Ų70108.2 Ų108.236%0.35955%0.554SS.*Hα-helixtrans-61.3-38.7172.7-70.2164.7000110.9I401 T450 L451 K458I401-I454 HydrophobicContact CD1-CD1 4.4Å; T450-I454 HydrophobicContact CG2-CD1 4.11Å; T450-I454 VanDerWaalsContact O-CG1 3.31Å; T450-I454 WeakPolarHBondContact O-CG1 3.38Å; T450-I454 PolarHBondContact O-N 2.99Å; L451-I454 PolarHBondContact O-N 3.14Å; I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.87Å
455Q55.1Low53.2Low134 Ų134108.8 Ų108.863%0.62656%0.557SS**Hα-helixtrans-71.8-37.1179.7-153.1165.511.200112.4L451 K452 T453 K458 C459L451-Q455 WeakPolarHBondContact O-CB 3.42Å; L451-Q455 PolarHBondContact O-N 3.26Å; K452-Q455 CarbonylContact O-C 3.59Å; K452-Q455 WeakPolarHBondContact O-CB 3.33Å; K452-Q455 PolarHBondContact O-N 3.19Å; K452-Q455 VanDerWaalsContact O-N 3.14Å; T453-Q455 VanDerWaalsContact C-N 3.28Å; T453-Q455 PolarHBondContact O-N 3.33Å; Q455-K458 PolarHBondContact O-N 3.35Å; Q455-C459 PolarHBondContact O-N 2.91Å; Q455-C459 PolarHBondContact O-SG 2.95Å; Q455-C459 VanDerWaalsContact O-SG 3.32Å
456E47.3Very low52.2Low108 Ų108107.2 Ų107.251%0.50555%0.554SS.*Hα-helixtrans-71.3-41.9175.3-74.4170.8171.900111.6K452 T453 K458 C459K452-E456 VanDerWaalsContact CE-OE1 3.31Å; K452-E456 WeakPolarHBondContact CE-OE1 3.28Å; K452-E456 VanDerWaalsContact NZ-CD 3.3Å; K452-E456 IonicContact NZ-OE1 3.97Å; K452-E456 PolarHBondContact NZ-OE1 2.97Å; K452-E456 IonicContact NZ-OE2 3.36Å; K452-E456 PolarHBondContact NZ-OE2 2.63Å; K452-E456 WeakPolarHBondContact O-CB 3.37Å; K452-E456 WeakPolarHBondContact O-CG 3.33Å; K452-E456 PolarHBondContact O-N 3.46Å; T453-E456 PolarHBondContact O-N 3.13Å; E456-K458 VanDerWaalsContact C-N 3.31Å; E456-K458 PolarHBondContact O-N 2.91Å; E456-C459 PolarHBondContact O-N 3.44Å; E456-C459 VanDerWaalsContact O-N 3.17Å
457L41.5Very low51.6Low117 Ų117106.5 Ų106.561%0.61355%0.553SS**Hα-helixtrans-62.7-37.3171.5-71.1170.3000112T453 C459 N460T453-L457 HydrophobicContact CG2-CD1 4.06Å; T453-L457 HydrophobicContact CG2-CG 4.48Å; T453-L457 WeakPolarHBondContact O-CB 3.48Å; T453-L457 VanDerWaalsContact O-CG 3.27Å; T453-L457 WeakPolarHBondContact O-CG 3.33Å; T453-L457 PolarHBondContact O-N 3.39Å; L457-C459 PolarHBondContact O-N 3.44Å; L457-N460 PolarHBondContact O-N 3.34Å
458K41.9Very low51Low152 Ų152105.1 Ų105.166%0.66155%0.545SS*.Hα-helixtrans-67.4-17.5175.8-172.3169.5-174.7170.50113.9I454 Q455 E456I454-K458 WeakPolarHBondContact O-CB 3.48Å; I454-K458 PolarHBondContact O-N 2.87Å; Q455-K458 PolarHBondContact O-N 3.35Å; E456-K458 VanDerWaalsContact C-N 3.31Å; E456-K458 PolarHBondContact O-N 2.91Å
459C36.7Very low50.2Low88 Ų88103.6 Ų103.660%0.59554%0.543SS*.Hα-helixtrans-85-15.3175-72.70000113.6Q455 E456 L457 C461Q455-C459 PolarHBondContact O-N 2.91Å; Q455-C459 PolarHBondContact O-SG 2.95Å; Q455-C459 VanDerWaalsContact O-SG 3.32Å; E456-C459 PolarHBondContact O-N 3.44Å; E456-C459 VanDerWaalsContact O-N 3.17Å; L457-C459 PolarHBondContact O-N 3.44Å; C459-C461 PolarHBondContact O-N 2.79Å
460N42.1Very low49.1Very low143 Ų143102.4 Ų102.477%0.76554%0.542SS*.THydrogen-bonded Turntrans-79.515.2-167.9-137.829.4000114.9L457L457-N460 PolarHBondContact O-N 3.34Å
461C33Very low48.5Very low112 Ų112103.3 Ų103.376%0.75754%0.543SS*.THydrogen-bonded Turntrans-125.14-178.7-58.30000114.1C459C459-C461 PolarHBondContact O-N 2.79Å
462N38.2Very low47.9Very low114 Ų114103.6 Ų103.661%0.6154%0.541SS*.  trans-104.128.8-170.8-81.4-14.8000114.7K464 Q465N462-K464 PolarHBondContact O-N 2.78Å; N462-Q465 PolarHBondContact O-N 2.8Å
463D41.3Very low47.5Very low133 Ų133103.5 Ų103.571%0.71155%0.55SS*.THydrogen-bonded Turntrans-72.522.3-167.7-15027000115.9S466 V467D463-S466 PolarHBondContact OD1-OG 2.65Å; D463-V467 WeakPolarHBondContact O-CG2 3.47Å
464K42.9Very low47Very low172 Ų172104.8 Ų104.875%0.74855%0.551SS**THydrogen-bonded Turntrans-110.8-29168.1-67.9-178.9179.8176.10112.4N462 V467 I468N462-K464 PolarHBondContact O-N 2.78Å; K464-V467 PolarHBondContact O-N 3.15Å; K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.34Å; K464-I468 PolarHBondContact O-N 3.05Å
465Q49.7Very low46.6Very low102 Ų102106.5 Ų106.548%0.47756%0.56SS.*Hα-helixtrans-76.2-40.7-178.2-167.764.220.100111.6N462 V467 I468 E469N462-Q465 PolarHBondContact O-N 2.8Å; Q465-V467 VanDerWaalsContact C-N 3.25Å; Q465-V467 PolarHBondContact O-N 2.77Å; Q465-I468 PolarHBondContact O-N 2.81Å; Q465-E469 PolarHBondContact O-N 3.4Å
466S52.1Low46.5Very low60 Ų60105.3 Ų105.342%0.4256%0.562SS.*Hα-helixtrans-53.2-42.7168.247.80000112.1D463 C470D463-S466 PolarHBondContact OD1-OG 2.65Å; S466-C470 VanDerWaalsContact O-CB 3.28Å; S466-C470 WeakPolarHBondContact O-CB 3.46Å; S466-C470 PolarHBondContact O-N 2.66Å
467V50.5Low46.5Very low71 Ų71105 Ų10543%0.4357%0.568SS.*Hα-helixtrans-69.8-41.2178.2177.50000111.4D463 K464 Q465 C470 L471D463-V467 WeakPolarHBondContact O-CG2 3.47Å; K464-V467 PolarHBondContact O-N 3.15Å; Q465-V467 VanDerWaalsContact C-N 3.25Å; Q465-V467 PolarHBondContact O-N 2.77Å; V467-C470 PolarHBondContact O-N 2.79Å; V467-L471 HydrophobicContact CG1-CD1 3.86Å; V467-L471 HydrophobicContact CG1-CG 4.33Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.44Å; V467-L471 PolarHBondContact O-N 2.82Å
468I53.8Low46.6Very low72 Ų72105.6 Ų105.637%0.36957%0.57SS.*Hα-helixtrans-62.6-46.5175.9-72.8163.5000111.2K464 Q465 C470 L471 Q472K464-I468 VanDerWaalsContact O-CG1 3.28Å; K464-I468 WeakPolarHBondContact O-CG1 3.34Å; K464-I468 PolarHBondContact O-N 3.05Å; Q465-I468 PolarHBondContact O-N 2.81Å; I468-C470 VanDerWaalsContact C-N 3.34Å; I468-C470 PolarHBondContact O-N 3.32Å; I468-L471 PolarHBondContact O-N 3.35Å; I468-Q472 HydrophobicContact CG2-CG 4.44Å; I468-Q472 WeakPolarHBondContact O-CB 3.32Å; I468-Q472 VanDerWaalsContact O-CG 3.27Å; I468-Q472 WeakPolarHBondContact O-CG 3.45Å; I468-Q472 PolarHBondContact O-N 3.42Å
469E55.3Low46.5Very low116 Ų116106.2 Ų106.254%0.54258%0.576SS.*Hα-helixtrans-66-36.7177.7-71.2175.3-166.900111.8Q465 Q472 S473Q465-E469 PolarHBondContact O-N 3.4Å; E469-Q472 PolarHBondContact O-N 2.87Å; E469-S473 WeakPolarHBondContact O-CB 3.34Å; E469-S473 PolarHBondContact O-N 3.29Å
470C45.4Very low46.8Very low63 Ų63106.4 Ų106.443%0.42658%0.578SS.*Hα-helixtrans-64.6-44.7173.3-166.90000112.2S466 V467 I468 S473 Q474S466-C470 VanDerWaalsContact O-CB 3.28Å; S466-C470 WeakPolarHBondContact O-CB 3.46Å; S466-C470 PolarHBondContact O-N 2.66Å; V467-C470 PolarHBondContact O-N 2.79Å; I468-C470 VanDerWaalsContact C-N 3.34Å; I468-C470 PolarHBondContact O-N 3.32Å; C470-S473 PolarHBondContact O-N 2.96Å; C470-Q474 WeakPolarHBondContact O-CG 3.37Å; C470-Q474 PolarHBondContact O-N 2.85Å; C470-Q474 PolarHBondContact SG-NE2 3.44Å
471L46.8Very low46.5Very low89 Ų89105.9 Ų105.947%0.46658%0.575SS.*Hα-helixtrans-66.6-38.6176.9-73.4170.5000112V467 I468 Q474 L475V467-L471 HydrophobicContact CG1-CD1 3.86Å; V467-L471 HydrophobicContact CG1-CG 4.33Å; V467-L471 WeakPolarHBondContact O-CB 3.35Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.44Å; V467-L471 PolarHBondContact O-N 2.82Å; I468-L471 PolarHBondContact O-N 3.35Å; L471-Q474 PolarHBondContact O-N 2.78Å; L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 2.88Å
472Q50.8Low46.5Very low114 Ų114108.7 Ų108.753%0.53358%0.577SS.*Hα-helixtrans-63.2-43.4173.6-75173.3-6.700111.4I468 E469 Q474 L475 T476I468-Q472 HydrophobicContact CG2-CG 4.44Å; I468-Q472 WeakPolarHBondContact O-CB 3.32Å; I468-Q472 VanDerWaalsContact O-CG 3.27Å; I468-Q472 WeakPolarHBondContact O-CG 3.45Å; I468-Q472 PolarHBondContact O-N 3.42Å; E469-Q472 PolarHBondContact O-N 2.87Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.38Å; Q472-L475 PolarHBondContact O-N 2.83Å; Q472-T476 PolarHBondContact O-N 2.71Å; Q472-T476 PolarHBondContact O-OG1 3.07Å; Q472-T476 VanDerWaalsContact O-OG1 3.12Å
473S64.7Low46.3Very low71 Ų71111.3 Ų111.350%0.49759%0.586SS.*Hα-helixtrans-62.1-39.5174.3-1730000112.5E469 C470 T476 T477E469-S473 WeakPolarHBondContact O-CB 3.34Å; E469-S473 PolarHBondContact O-N 3.29Å; C470-S473 PolarHBondContact O-N 2.96Å; S473-T476 WeakPolarHBondContact CA-OG1 3.46Å; S473-T476 PolarHBondContact O-OG1 2.79Å; S473-T477 PolarHBondContact O-N 3.48Å; S473-T477 PolarHBondContact O-OG1 2.97Å
474Q45.2Very low46.4Very low99 Ų99113.8 Ų113.846%0.46359%0.593SS.*Hα-helixtrans-69.2-41.5176.2-7117836.100111.7C470 L471 Q472 T476 T477 I478C470-Q474 WeakPolarHBondContact O-CG 3.37Å; C470-Q474 PolarHBondContact O-N 2.85Å; C470-Q474 PolarHBondContact SG-NE2 3.44Å; L471-Q474 PolarHBondContact O-N 2.78Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.38Å; Q474-T476 PolarHBondContact O-N 3.3Å; Q474-T477 PolarHBondContact O-N 3.19Å; Q474-I478 WeakPolarHBondContact O-CG1 3.43Å; Q474-I478 PolarHBondContact O-N 2.98Å; Q474-I478 VanDerWaalsContact O-N 3.13Å
475L44.6Very low46.3Very low106 Ų106112.3 Ų112.356%0.55559%0.588SS**Hα-helixtrans-57.8-44.8174.8-80.8162.9000112L471 Q472 T477 I478L471-L475 WeakPolarHBondContact O-CB 3.44Å; L471-L475 WeakPolarHBondContact O-CG 3.49Å; L471-L475 PolarHBondContact O-N 2.88Å; Q472-L475 PolarHBondContact O-N 2.83Å; L475-T477 PolarHBondContact O-N 3.43Å; L475-I478 PolarHBondContact O-N 2.81Å
476T53.7Low46.1Very low109 Ų109113.1 Ų113.167%0.66959%0.592SS**Hα-helixtrans-66-17.9174.342.80000114.4Q472 S473 Q474Q472-T476 PolarHBondContact O-N 2.71Å; Q472-T476 PolarHBondContact O-OG1 3.07Å; Q472-T476 VanDerWaalsContact O-OG1 3.12Å; S473-T476 WeakPolarHBondContact CA-OG1 3.46Å; S473-T476 PolarHBondContact O-OG1 2.79Å; Q474-T476 PolarHBondContact O-N 3.3Å
477T46.6Very low45.8Very low101 Ų101118.9 Ų118.962%0.6261%0.612SS**Hα-helixtrans-94.4-19.6-177.8-51.20000112.7S473 Q474 L475S473-T477 PolarHBondContact O-N 3.48Å; S473-T477 PolarHBondContact O-OG1 2.97Å; Q474-T477 PolarHBondContact O-N 3.19Å; L475-T477 PolarHBondContact O-N 3.43Å
478I44.5Very low45.6Very low130 Ų130123.6 Ų123.667%0.66763%0.63SS**Hα-helixtrans-92.4-22.5-175.3-69.2166.6000112.7Q474 L475 S480Q474-I478 WeakPolarHBondContact O-CG1 3.43Å; Q474-I478 PolarHBondContact O-N 2.98Å; Q474-I478 VanDerWaalsContact O-N 3.13Å; L475-I478 PolarHBondContact O-N 2.81Å; I478-S480 PolarHBondContact O-N 2.87Å
479Q39.6Very low45.2Very low166 Ų166124.9 Ų124.978%0.77663%0.634SS**THydrogen-bonded Turntrans-74.521-174.7-71.3-177.2-22.200115.8
480S41.3Very low45.3Very low92 Ų92124 Ų12464%0.64363%0.63SS**THydrogen-bonded Turntrans-106.31-17080.40000116.8I478I478-S480 PolarHBondContact O-N 2.87Å
481N36Very low46Very low131 Ų131127 Ų12770%0.70164%0.641SS**SBendtrans-139.2129.2-173.1-88-17.6000115.9
482E33.5Very low46.7Very low171 Ų171128.1 Ų128.180%0.79965%0.647SS**  trans71.468.5138.4-57.8-173146.600119.6H484E482-H484 PolarHBondContact O-N 3.33Å
483E33.8Very low47.2Very low170 Ų170125.4 Ų125.479%0.79464%0.639SS**  trans-29.21162.6-56.817412000121
484H43.7Very low47.5Very low184 Ų184125.8 Ų125.885%0.85264%0.635SS**THydrogen-bonded Turntrans-98.75.4-153.3-132.2-52.4000118.2E482E482-H484 PolarHBondContact O-N 3.33Å
485Q41.7Very low48.5Very low141 Ų141127.1 Ų127.166%0.65964%0.641SS**THydrogen-bonded Turntrans-124.39.4-175.9-143.6171.212.300115.2Q487 Q489Q485-Q487 PolarHBondContact O-N 2.77Å; Q485-Q489 WeakPolarHBondContact O-CG 3.39Å
486Q44.6Very low49.5Very low120 Ų120126.4 Ų126.456%0.56164%0.637SS**Hα-helixtrans-62.4-30.4-165.6-68.9178-13.700115.8Q489 Q490Q486-Q489 CarbonylContact O-C 3.56Å; Q486-Q489 WeakPolarHBondContact O-CB 3.44Å; Q486-Q489 PolarHBondContact O-N 2.8Å; Q486-Q490 WeakPolarHBondContact O-CB 3.31Å; Q486-Q490 PolarHBondContact O-N 2.97Å
487Q45.7Very low50.2Low180 Ų180124.5 Ų124.584%0.84162%0.623SS**Hα-helixtrans-78-29.8-165.9-160.4169.230.100114.8Q485 Q490Q485-Q487 PolarHBondContact O-N 2.77Å; Q487-Q490 WeakPolarHBondContact O-CB 3.38Å
488E45.7Very low51.5Low171 Ų171125.9 Ų125.980%0.79962%0.623SS**Hα-helixtrans-86.9-31.2172.3-166.2166.3-134.300110.8Q490E488-Q490 PolarHBondContact O-N 3.35Å
489Q46Very low52.6Low98 Ų98125.9 Ų125.946%0.45862%0.62SS.*Hα-helixtrans-58.6-31.9163.4-71.5175.5-18.800112Q485 Q486 L491 L492 T493Q485-Q489 WeakPolarHBondContact O-CG 3.39Å; Q486-Q489 CarbonylContact O-C 3.56Å; Q486-Q489 WeakPolarHBondContact O-CB 3.44Å; Q486-Q489 PolarHBondContact O-N 2.8Å; Q489-L491 PolarHBondContact O-N 3.49Å; Q489-L492 PolarHBondContact O-N 3.23Å; Q489-T493 WeakPolarHBondContact O-CA 3.31Å; Q489-T493 WeakPolarHBondContact O-CB 3.28Å; Q489-T493 PolarHBondContact O-N 2.78Å; Q489-T493 PolarHBondContact O-OG1 3.17Å
490Q56.3Low53.9Low97 Ų97122 Ų12245%0.45360%0.603SS.*Hα-helixtrans-60.4-47.3-177.4-16669.656.400112Q486 Q487 E488 L492 T493 D494Q486-Q490 WeakPolarHBondContact O-CB 3.31Å; Q486-Q490 PolarHBondContact O-N 2.97Å; Q487-Q490 WeakPolarHBondContact O-CB 3.38Å; E488-Q490 PolarHBondContact O-N 3.35Å; Q490-L492 PolarHBondContact O-N 3.35Å; Q490-T493 CarbonylContact O-C 3.56Å; Q490-T493 WeakPolarHBondContact O-CB 3.44Å; Q490-T493 PolarHBondContact O-N 2.78Å; Q490-D494 PolarHBondContact NE2-OD1 3.47Å; Q490-D494 PolarHBondContact O-N 2.95Å
491L61.6Low55.3Low126 Ų126122.2 Ų122.266%0.6660%0.598SS**Hα-helixtrans-69.6-36.9-177.9-167.972.1000112Q489 D494 Q495Q489-L491 PolarHBondContact O-N 3.49Å; L491-D494 PolarHBondContact O-N 3.37Å; L491-Q495 PolarHBondContact O-N 2.65Å
492L60.7Low57Low113 Ų113120.6 Ų120.659%0.59259%0.589SS**Hα-helixtrans-69.2-37.8173.4-167.869.5000111Q489 Q490 Q495 L496Q489-L492 PolarHBondContact O-N 3.23Å; Q490-L492 PolarHBondContact O-N 3.35Å; L492-Q495 PolarHBondContact O-N 3Å; L492-L496 WeakPolarHBondContact O-CB 3.47Å; L492-L496 PolarHBondContact O-N 3.49Å
493T62Low58.4Low58 Ų58118.3 Ų118.336%0.35658%0.581SS.*Hα-helixtrans-65.2-36.1173.7-65.30000111.3Q489 Q490 L496 N497Q489-T493 WeakPolarHBondContact O-CA 3.31Å; Q489-T493 WeakPolarHBondContact O-CB 3.28Å; Q489-T493 PolarHBondContact O-N 2.78Å; Q489-T493 PolarHBondContact O-OG1 3.17Å; Q490-T493 CarbonylContact O-C 3.56Å; Q490-T493 WeakPolarHBondContact O-CB 3.44Å; Q490-T493 PolarHBondContact O-N 2.78Å; T493-L496 PolarHBondContact O-N 2.86Å; T493-N497 WeakPolarHBondContact CG2-ND2 3.33Å; T493-N497 WeakPolarHBondContact O-CA 3.1Å; T493-N497 WeakPolarHBondContact O-CB 3.43Å; T493-N497 PolarHBondContact O-N 2.82Å; T493-N497 PolarHBondContact O-ND2 3.21Å
494D70.2Confident60Low79 Ų79115.8 Ų115.842%0.42257%0.57SS.*Hα-helixtrans-70-36.8176.4-66.9-21.4000111.1Q490 L491 Q498Q490-D494 PolarHBondContact NE2-OD1 3.47Å; Q490-D494 PolarHBondContact O-N 2.95Å; L491-D494 PolarHBondContact O-N 3.37Å; D494-Q498 PolarHBondContact O-N 2.74Å
495Q65.9Low61.3Low126 Ų126111.8 Ų111.859%0.58955%0.554SS**Hα-helixtrans-69.2-40.9170.3-72-169.3-31.100112.6L491 L492 Q498 Q499L491-Q495 PolarHBondContact O-N 2.65Å; L492-Q495 PolarHBondContact O-N 3Å; Q495-Q498 PolarHBondContact O-N 3.05Å; Q495-Q499 PolarHBondContact O-N 3.43Å
496L65.4Low62.4Low91 Ų91109.1 Ų109.148%0.47654%0.544SS..Hα-helixtrans-62.9-43.9173.9-131.776.4000110.4L492 T493 Q498 Q499 I500L492-L496 WeakPolarHBondContact O-CB 3.47Å; L492-L496 PolarHBondContact O-N 3.49Å; T493-L496 PolarHBondContact O-N 2.86Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.18Å; L496-Q499 PolarHBondContact O-N 3.33Å; L496-I500 HydrophobicContact CB-CD1 4.36Å; L496-I500 HydrophobicContact CD2-CD1 4.24Å; L496-I500 HydrophobicContact CG-CD1 4.19Å; L496-I500 WeakPolarHBondContact O-CB 3.5Å; L496-I500 WeakPolarHBondContact O-CD1 3.38Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.33Å
497N68.9Low63Low70 Ų70111 Ų11137%0.37455%0.548SS..Hα-helixtrans-62.4-34.8175.2-74.6-21.1000111.5T493 N501T493-N497 WeakPolarHBondContact CG2-ND2 3.33Å; T493-N497 WeakPolarHBondContact O-CA 3.1Å; T493-N497 WeakPolarHBondContact O-CB 3.43Å; T493-N497 PolarHBondContact O-N 2.82Å; T493-N497 PolarHBondContact O-ND2 3.21Å; N497-N501 WeakPolarHBondContact O-CA 3.47Å; N497-N501 WeakPolarHBondContact O-CB 3.16Å; N497-N501 PolarHBondContact O-N 2.83Å; N497-N501 PolarHBondContact O-ND2 3.29Å; N497-N501 PolarHBondContact O-OD1 2.91Å
498Q74.1Confident63.9Low129 Ų129105.3 Ų105.360%0.60353%0.527SS*.Hα-helixtrans-71.3-39174.6-166.3171.42000112.1D494 Q495 L496 N502D494-Q498 PolarHBondContact O-N 2.74Å; Q495-Q498 PolarHBondContact O-N 3.05Å; L496-Q498 VanDerWaalsContact C-N 3.3Å; L496-Q498 PolarHBondContact O-N 3.18Å; Q498-N502 VanDerWaalsContact O-CG 3.28Å; Q498-N502 PolarHBondContact O-N 3.47Å; Q498-N502 PolarHBondContact O-OD1 3.11Å
499Q67.2Low65Low130 Ų130102.4 Ų102.461%0.60751%0.512SS*.Hα-helixtrans-70.1-40.2173.5-71.2-173.2-1300112.4Q495 L496 N502 L503Q495-Q499 PolarHBondContact O-N 3.43Å; L496-Q499 PolarHBondContact O-N 3.33Å; Q499-N502 PolarHBondContact O-N 2.84Å; Q499-L503 WeakPolarHBondContact O-CB 3.48Å; Q499-L503 WeakPolarHBondContact O-CG 3.42Å; Q499-L503 PolarHBondContact O-N 3.39Å
500I67.2Low65.3Low84 Ų84101.9 Ų101.943%0.43151%0.51SS..Hα-helixtrans-64.1-42173.5-71.4165.4000109.7L496 L503 H504L496-I500 HydrophobicContact CB-CD1 4.36Å; L496-I500 HydrophobicContact CD2-CD1 4.24Å; L496-I500 HydrophobicContact CG-CD1 4.19Å; L496-I500 WeakPolarHBondContact O-CB 3.5Å; L496-I500 WeakPolarHBondContact O-CD1 3.38Å; L496-I500 WeakPolarHBondContact O-CG1 3.38Å; L496-I500 PolarHBondContact O-N 3.33Å; I500-L503 CarbonylContact O-C 3.51Å; I500-L503 PolarHBondContact O-N 2.84Å; I500-H504 WeakPolarHBondContact O-CA 3.33Å; I500-H504 WeakPolarHBondContact O-CB 3.36Å; I500-H504 PolarHBondContact O-N 3.23Å
501N70.2Confident65.4Low98 Ų98100.1 Ų100.152%0.52451%0.506SS..Hα-helixtrans-66.7-40176.4-74.9-12.9000111.7N497 H504 D505N497-N501 WeakPolarHBondContact O-CA 3.47Å; N497-N501 WeakPolarHBondContact O-CB 3.16Å; N497-N501 PolarHBondContact O-N 2.83Å; N497-N501 PolarHBondContact O-ND2 3.29Å; N497-N501 PolarHBondContact O-OD1 2.91Å; N501-H504 CarbonylContact O-C 3.51Å; N501-H504 PolarHBondContact O-N 3.3Å; N501-D505 WeakPolarHBondContact O-CB 3.09Å; N501-D505 PolarHBondContact O-N 3.36Å
502N71.4Confident65.6Low97 Ų97100.3 Ų100.352%0.51950%0.501SS..Hα-helixtrans-64.3-47.4173.8-71-0.7000111.3Q498 Q499 H504 D505 D506Q498-N502 VanDerWaalsContact O-CG 3.28Å; Q498-N502 PolarHBondContact O-N 3.47Å; Q498-N502 PolarHBondContact O-OD1 3.11Å; Q499-N502 PolarHBondContact O-N 2.84Å; N502-H504 PolarHBondContact O-N 3.07Å; N502-D505 PolarHBondContact O-N 3.34Å; N502-D506 PolarHBondContact O-N 2.98Å
503L63.9Low65.6Low122 Ų122101 Ų10164%0.63950%0.499SS*.Hα-helixtrans-64.3-29174.8-75.4168.4000112.4Q499 I500 Y507Q499-L503 WeakPolarHBondContact O-CB 3.48Å; Q499-L503 WeakPolarHBondContact O-CG 3.42Å; Q499-L503 PolarHBondContact O-N 3.39Å; I500-L503 CarbonylContact O-C 3.51Å; I500-L503 PolarHBondContact O-N 2.84Å; L503-Y507 WeakPolarHBondContact O-CA 3.17Å; L503-Y507 WeakPolarHBondContact O-CB 3.23Å; L503-Y507 PolarHBondContact O-N 2.92Å
504H67.6Low65.2Low118 Ų118106 Ų10655%0.54651%0.513SS..Hα-helixtrans-82.5-28.9177.1-17168000111.4I500 N501 N502 S508I500-H504 WeakPolarHBondContact O-CA 3.33Å; I500-H504 WeakPolarHBondContact O-CB 3.36Å; I500-H504 PolarHBondContact O-N 3.23Å; N501-H504 CarbonylContact O-C 3.51Å; N501-H504 PolarHBondContact O-N 3.3Å; N502-H504 PolarHBondContact O-N 3.07Å; H504-S508 VanDerWaalsContact O-CA 3.31Å; H504-S508 WeakPolarHBondContact O-CA 3.46Å; H504-S508 WeakPolarHBondContact O-CB 3.39Å; H504-S508 PolarHBondContact O-N 3.36Å
505D70Confident64.7Low99 Ų99104.3 Ų104.353%0.52951%0.507SS..Hα-helixtrans-70.7-41.9169.1-111.623.9000110.7N501 N502 S508 K509N501-D505 WeakPolarHBondContact O-CB 3.09Å; N501-D505 PolarHBondContact O-N 3.36Å; N502-D505 PolarHBondContact O-N 3.34Å; D505-S508 PolarHBondContact O-N 3.33Å; D505-K509 WeakPolarHBondContact O-CD 3.36Å; D505-K509 WeakPolarHBondContact O-CE 3.47Å; D505-K509 VanDerWaalsContact O-CG 3.24Å; D505-K509 WeakPolarHBondContact O-CG 3.45Å; D505-K509 PolarHBondContact O-N 2.86Å
506D66.5Low64.5Low85 Ų85101.4 Ų101.446%0.45550%0.496SS..Hα-helixtrans-72.6-43.6176.2-70.5-23.1000111.3N502 S508 K509 E510N502-D506 PolarHBondContact O-N 2.98Å; D506-S508 PolarHBondContact O-N 3.47Å; D506-K509 CarbonylContact O-C 3.57Å; D506-K509 WeakPolarHBondContact O-CB 3.21Å; D506-K509 PolarHBondContact O-N 2.92Å; D506-K509 VanDerWaalsContact O-N 3.13Å; D506-K509 IonicContact OD1-NZ 2.62Å; D506-K509 PolarHBondContact OD1-NZ 3.23Å; D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 PolarHBondContact O-N 3.43Å
507Y56.3Low63.8Low161 Ų161100.7 Ų100.763%0.63149%0.492SS*.Hα-helixtrans-68.9-20.5170.2-164.3-99.1000112.4L503 V511L503-Y507 WeakPolarHBondContact O-CA 3.17Å; L503-Y507 WeakPolarHBondContact O-CB 3.23Å; L503-Y507 PolarHBondContact O-N 2.92Å; Y507-V511 HydrophobicContact CD1-CG2 3.55Å; Y507-V511 HydrophobicContact CE1-CG2 3.33Å; Y507-V511 HydrophobicContact CG-CG2 4.27Å; Y507-V511 WeakPolarHBondContact O-CA 3.31Å; Y507-V511 WeakPolarHBondContact O-CB 3.35Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.27Å
508S65.6Low62.9Low59 Ų59101.8 Ų101.841%0.41350%0.495SS..Hα-helixtrans-79.2-31.4169.1178.10000111.1H504 D505 D506 K512H504-S508 VanDerWaalsContact O-CA 3.31Å; H504-S508 WeakPolarHBondContact O-CA 3.46Å; H504-S508 WeakPolarHBondContact O-CB 3.39Å; H504-S508 PolarHBondContact O-N 3.36Å; D505-S508 PolarHBondContact O-N 3.33Å; D506-S508 PolarHBondContact O-N 3.47Å; S508-K512 WeakPolarHBondContact O-CA 3.38Å; S508-K512 WeakPolarHBondContact O-CB 3.2Å; S508-K512 PolarHBondContact O-N 2.83Å
509K67.8Low62.3Low110 Ų11098.8 Ų98.848%0.47848%0.482SS..Hα-helixtrans-69.7-35.7166.3-66.8155.9-145.1156.60111.3D505 D506 K513D505-K509 WeakPolarHBondContact O-CD 3.36Å; D505-K509 WeakPolarHBondContact O-CE 3.47Å; D505-K509 VanDerWaalsContact O-CG 3.24Å; D505-K509 WeakPolarHBondContact O-CG 3.45Å; D505-K509 PolarHBondContact O-N 2.86Å; D506-K509 CarbonylContact O-C 3.57Å; D506-K509 WeakPolarHBondContact O-CB 3.21Å; D506-K509 PolarHBondContact O-N 2.92Å; D506-K509 VanDerWaalsContact O-N 3.13Å; D506-K509 IonicContact OD1-NZ 2.62Å; D506-K509 PolarHBondContact OD1-NZ 3.23Å; K509-K513 WeakPolarHBondContact O-CB 3.35Å; K509-K513 WeakPolarHBondContact O-CG 3.41Å; K509-K513 PolarHBondContact O-N 2.93Å
510E53.2Low61.7Low88 Ų8894 Ų9441%0.41146%0.46SS..Hα-helixtrans-76.1-42.1177.9-138.484-98.300111.6D506 K512 K513 Y514D506-E510 WeakPolarHBondContact O-CB 3.45Å; D506-E510 PolarHBondContact O-N 3.43Å; E510-K512 VanDerWaalsContact C-N 3.35Å; E510-K513 CarbonylContact O-C 3.58Å; E510-K513 WeakPolarHBondContact O-CB 3.32Å; E510-K513 PolarHBondContact O-N 3Å; E510-K513 WeakPolarHBondContact OE1-CD 3.21Å; E510-K513 IonicContact OE1-NZ 3.16Å; E510-K513 PolarHBondContact OE1-NZ 3.21Å; E510-Y514 VanDerWaalsContact O-CB 3.31Å; E510-Y514 WeakPolarHBondContact O-CB 3.42Å; E510-Y514 PolarHBondContact O-N 2.85Å
511V57.1Low61Low60 Ų6096 Ų9636%0.36446%0.463SS..Hα-helixtrans-70-31170.7168.50000110.8Y507 Y514 S515Y507-V511 HydrophobicContact CD1-CG2 3.55Å; Y507-V511 HydrophobicContact CE1-CG2 3.33Å; Y507-V511 HydrophobicContact CG-CG2 4.27Å; Y507-V511 WeakPolarHBondContact O-CA 3.31Å; Y507-V511 WeakPolarHBondContact O-CB 3.35Å; Y507-V511 WeakPolarHBondContact O-CG2 3.34Å; Y507-V511 PolarHBondContact O-N 3.27Å; V511-Y514 CarbonylContact O-C 3.53Å; V511-Y514 PolarHBondContact O-N 3.35Å; V511-S515 WeakPolarHBondContact O-CA 3.5Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.45Å; V511-S515 PolarHBondContact O-N 2.84Å; V511-S515 PolarHBondContact O-OG 3.5Å; V511-S515 VanDerWaalsContact O-OG 3.04Å
512K65.8Low60.5Low130 Ų13092 Ų9257%0.56544%0.441SS*.Hα-helixtrans-74.8-36.6170.9-172.2170.5-177.7-178.60111.6S508 E510 Y514 S515 D516S508-K512 WeakPolarHBondContact O-CA 3.38Å; S508-K512 WeakPolarHBondContact O-CB 3.2Å; S508-K512 PolarHBondContact O-N 2.83Å; E510-K512 VanDerWaalsContact C-N 3.35Å; K512-Y514 VanDerWaalsContact C-N 3.3Å; K512-Y514 PolarHBondContact O-N 3.3Å; K512-S515 PolarHBondContact O-N 2.99Å; K512-D516 WeakPolarHBondContact O-CA 3.44Å; K512-D516 WeakPolarHBondContact O-CB 3.35Å; K512-D516 PolarHBondContact O-N 3.35Å
513K62.3Low59.9Low127 Ų12787.5 Ų87.555%0.55242%0.417SS*.Hα-helixtrans-59.1-43.2164.9-86.1-176.5-169.7165.10110.8K509 E510 D516 L517K509-K513 WeakPolarHBondContact O-CB 3.35Å; K509-K513 WeakPolarHBondContact O-CG 3.41Å; K509-K513 PolarHBondContact O-N 2.93Å; E510-K513 CarbonylContact O-C 3.58Å; E510-K513 WeakPolarHBondContact O-CB 3.32Å; E510-K513 PolarHBondContact O-N 3Å; E510-K513 WeakPolarHBondContact OE1-CD 3.21Å; E510-K513 IonicContact OE1-NZ 3.16Å; E510-K513 PolarHBondContact OE1-NZ 3.21Å; K513-D516 CarbonylContact O-C 3.58Å; K513-L517 WeakPolarHBondContact O-CA 3.42Å; K513-L517 WeakPolarHBondContact O-CB 3.49Å; K513-L517 PolarHBondContact O-N 2.79Å
514Y52Low59Low164 Ų16485 Ų8564%0.64341%0.407SS*.Hα-helixtrans-73.8-27.9-180-104.6-86.7000112.7E510 V511 K512 L517 E518E510-Y514 VanDerWaalsContact O-CB 3.31Å; E510-Y514 WeakPolarHBondContact O-CB 3.42Å; E510-Y514 PolarHBondContact O-N 2.85Å; V511-Y514 CarbonylContact O-C 3.53Å; V511-Y514 PolarHBondContact O-N 3.35Å; K512-Y514 VanDerWaalsContact C-N 3.3Å; K512-Y514 PolarHBondContact O-N 3.3Å; Y514-L517 CarbonylContact O-C 3.57Å; Y514-E518 WeakPolarHBondContact O-CA 3.28Å; Y514-E518 WeakPolarHBondContact O-CB 3.45Å; Y514-E518 PolarHBondContact O-N 2.88Å
515S61.2Low58.5Low43 Ų4382 Ų8230%0.30139%0.393SS..Hα-helixtrans-76.6-45.8170.3-71.70000109.2V511 K512 L517 E518 L519V511-S515 WeakPolarHBondContact O-CA 3.5Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.45Å; V511-S515 PolarHBondContact O-N 2.84Å; V511-S515 PolarHBondContact O-OG 3.5Å; V511-S515 VanDerWaalsContact O-OG 3.04Å; K512-S515 PolarHBondContact O-N 2.99Å; S515-L517 PolarHBondContact O-N 3.33Å; S515-E518 CarbonylContact O-C 3.57Å; S515-E518 WeakPolarHBondContact O-CA 3.47Å; S515-E518 WeakPolarHBondContact O-CB 3.49Å; S515-E518 PolarHBondContact O-N 3.39Å; S515-L519 WeakPolarHBondContact O-CA 3.5Å; S515-L519 WeakPolarHBondContact O-CB 3.44Å; S515-L519 WeakPolarHBondContact O-CG 3.33Å; S515-L519 PolarHBondContact O-N 2.95Å
516D60.7Low58.2Low65 Ų6577.8 Ų77.835%0.34837%0.371SS..Hα-helixtrans-61.1-28.4170-61.5-15.6000110.3K512 K513 K520K512-D516 WeakPolarHBondContact O-CA 3.44Å; K512-D516 WeakPolarHBondContact O-CB 3.35Å; K512-D516 PolarHBondContact O-N 3.35Å; K513-D516 CarbonylContact O-C 3.58Å; D516-K520 WeakPolarHBondContact O-CA 3.46Å; D516-K520 VanDerWaalsContact O-CB 3.25Å; D516-K520 WeakPolarHBondContact O-CB 3.48Å; D516-K520 PolarHBondContact O-N 2.91Å
517L51.6Low57.4Low76 Ų7677 Ų7740%0.39837%0.365SS..THydrogen-bonded Turntrans-83.5-15.2167.8-115.276.2000114.8K513 Y514 S515 K520 Y521K513-L517 WeakPolarHBondContact O-CA 3.42Å; K513-L517 WeakPolarHBondContact O-CB 3.49Å; K513-L517 PolarHBondContact O-N 2.79Å; Y514-L517 CarbonylContact O-C 3.57Å; S515-L517 PolarHBondContact O-N 3.33Å; L517-K520 HydrophobicContact CD1-CD 4.22Å; L517-K520 HydrophobicContact CG-CB 4.41Å; L517-Y521 WeakPolarHBondContact O-CB 3.32Å; L517-Y521 PolarHBondContact O-N 3.45Å
518E49.7Very low57.5Low93 Ų9373.7 Ų73.744%0.43536%0.357SS..Hα-helixtrans-85.4-63.3174.7-172.7158.5-148.100105.5K271 Y514 S515 K520 Y521 N522K271-E518 VanDerWaalsContact CE-CG 3.44Å; K271-E518 IonicContact NZ-OE1 3.74Å; K271-E518 PolarHBondContact NZ-OE1 3.28Å; Y514-E518 WeakPolarHBondContact O-CA 3.28Å; Y514-E518 WeakPolarHBondContact O-CB 3.45Å; Y514-E518 PolarHBondContact O-N 2.88Å; S515-E518 CarbonylContact O-C 3.57Å; S515-E518 WeakPolarHBondContact O-CA 3.47Å; S515-E518 WeakPolarHBondContact O-CB 3.49Å; S515-E518 PolarHBondContact O-N 3.39Å; E518-K520 CarbonylContact O-C 3.57Å; E518-K520 PolarHBondContact O-N 3.1Å; E518-Y521 CarbonylContact O-C 3.49Å; E518-Y521 WeakPolarHBondContact O-CA 3.43Å; E518-Y521 PolarHBondContact O-N 3.32Å; E518-N522 WeakPolarHBondContact O-CA 3.45Å; E518-N522 WeakPolarHBondContact O-CB 3.42Å; E518-N522 PolarHBondContact O-N 2.96Å; E518-N522 PolarHBondContact O-OD1 2.93Å
519L61.8Low57.4Low65 Ų6572.6 Ų72.634%0.3435%0.347SS..Hα-helixtrans-38.5-34.2154.8-52.5171.9000112.1E274 Q275 S515 N522E274-L519 CarbonylContact C-O 3.59Å; E274-L519 WeakPolarHBondContact CA-O 3.11Å; E274-L519 HydrophobicContact CB-CB 4.07Å; E274-L519 WeakPolarHBondContact CB-O 3.18Å; E274-L519 VanDerWaalsContact CD-CD2 3.43Å; E274-L519 WeakPolarHBondContact OE1-CD2 3.25Å; E274-L519 WeakPolarHBondContact OE2-CD2 3.47Å; Q275-L519 PolarHBondContact N-O 3.39Å; S515-L519 WeakPolarHBondContact O-CA 3.5Å; S515-L519 WeakPolarHBondContact O-CB 3.44Å; S515-L519 WeakPolarHBondContact O-CG 3.33Å; S515-L519 PolarHBondContact O-N 2.95Å; L519-N522 WeakPolarHBondContact CA-ND2 3.27Å; L519-N522 WeakPolarHBondContact O-CB 3.23Å
520K53.6Low57.4Low31 Ų3169.9 Ų69.914%0.13534%0.339CS..Hα-helixtrans-67.9-73.9163.2-117.8-175.1-157.784.60110.6Q275 E278 L282 D516 L517 E518 N522 E523Q275-K520 WeakPolarHBondContact CA-O 3.41Å; Q275-K520 HydrophobicContact CB-CG 4.41Å; Q275-K520 WeakPolarHBondContact CB-O 3.36Å; Q275-K520 HydrophobicContact CG-CB 4.02Å; Q275-K520 HydrophobicContact CG-CG 3.82Å; Q275-K520 WeakPolarHBondContact CG-O 2.86Å; Q275-K520 PolarHBondContact N-O 3.04Å; Q275-K520 VanDerWaalsContact N-O 3.08Å; Q275-K520 PolarHBondContact OE1-O 2.71Å; E278-K520 HydrophobicContact CB-CD 4.44Å; E278-K520 HydrophobicContact CB-CG 3.78Å; E278-K520 IonicContact OE1-NZ 3.24Å; E278-K520 PolarHBondContact OE1-NZ 3.3Å; E278-K520 WeakPolarHBondContact OE2-CG 3.41Å; E278-K520 IonicContact OE2-NZ 2.69Å; E278-K520 PolarHBondContact OE2-NZ 3.41Å; L282-K520 VanDerWaalsContact CD1-CE 3.44Å; D516-K520 WeakPolarHBondContact O-CA 3.46Å; D516-K520 VanDerWaalsContact O-CB 3.25Å; D516-K520 WeakPolarHBondContact O-CB 3.48Å; D516-K520 PolarHBondContact O-N 2.91Å; L517-K520 HydrophobicContact CD1-CD 4.22Å; L517-K520 HydrophobicContact CG-CB 4.41Å; E518-K520 CarbonylContact O-C 3.57Å; E518-K520 PolarHBondContact O-N 3.1Å; K520-N522 CarbonylContact O-C 3.35Å; K520-N522 WeakPolarHBondContact O-CA 3.32Å; K520-N522 PolarHBondContact O-N 3.33Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.09Å
521Y53.5Low57.6Low125 Ų12570.1 Ų70.149%0.4935%0.347SS..Hα-helixtrans-40.4-31.5-179.2-174.6-88000113.6K271 T272 Q275 L517 E518 E523 Q525K271-Y521 HydrophobicContact CD-CD1 3.97Å; K271-Y521 HydrophobicContact CD-CE1 4.39Å; K271-Y521 HydrophobicContact CG-CD1 3.97Å; K271-Y521 HydrophobicContact CG-CE1 4.32Å; T272-Y521 WeakPolarHBondContact CG2-O 3.42Å; Q275-Y521 PolarHBondContact OE1-O 2.91Å; Q275-Y521 VanDerWaalsContact OE1-O 3.09Å; L517-Y521 WeakPolarHBondContact O-CB 3.32Å; L517-Y521 PolarHBondContact O-N 3.45Å; E518-Y521 CarbonylContact O-C 3.49Å; E518-Y521 WeakPolarHBondContact O-CA 3.43Å; E518-Y521 PolarHBondContact O-N 3.32Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.14Å; Y521-Q525 PolarHBondContact OH-OE1 3.43Å
522N58.1Low57.9Low13 Ų1371.4 Ų71.47%0.0735%0.349CS..SBendtrans-56.332.1162.9-56.98.9000118.3N270 K271 T272 N273 E274 E518 L519 K520N270-N522 WeakPolarHBondContact O-CB 3.18Å; K271-N522 HydrophobicContact CB-CB 4.19Å; K271-N522 VanDerWaalsContact CB-CG 3.46Å; K271-N522 WeakPolarHBondContact CB-OD1 3.43Å; K271-N522 WeakPolarHBondContact CE-OD1 3.4Å; K271-N522 WeakPolarHBondContact CG-OD1 3.18Å; T272-N522 CarbonylContact C-O 3.54Å; T272-N522 VanDerWaalsContact CA-C 3.43Å; T272-N522 VanDerWaalsContact CA-O 3.24Å; T272-N522 WeakPolarHBondContact CA-O 3.26Å; T272-N522 PolarHBondContact N-O 3.48Å; N273-N522 CarbonylContact C-O 3.56Å; N273-N522 VanDerWaalsContact CA-O 3.31Å; N273-N522 WeakPolarHBondContact CA-O 3.3Å; N273-N522 PolarHBondContact N-O 2.88Å; E274-N522 HydrophobicContact CB-CB 4.32Å; E274-N522 PolarHBondContact N-O 2.92Å; E274-N522 PolarHBondContact OE2-ND2 3.27Å; E518-N522 WeakPolarHBondContact O-CA 3.45Å; E518-N522 WeakPolarHBondContact O-CB 3.42Å; E518-N522 PolarHBondContact O-N 2.96Å; E518-N522 PolarHBondContact O-OD1 2.93Å; L519-N522 WeakPolarHBondContact CA-ND2 3.27Å; L519-N522 WeakPolarHBondContact O-CB 3.23Å; K520-N522 CarbonylContact O-C 3.35Å; K520-N522 WeakPolarHBondContact O-CA 3.32Å; K520-N522 PolarHBondContact O-N 3.33Å
523E59.5Low58.1Low3 Ų369.3 Ų69.31%0.01434%0.344CS..SBendtrans-146.7-31.5161.2-166.7161.6161.500119.3T272 N273 E274 Q275 S276 N277 K280 K520 Y521 Q525 V526 Q527T272-E523 CarbonylContact O-C 3.05Å; T272-E523 WeakPolarHBondContact O-CA 3.41Å; T272-E523 VanDerWaalsContact O-O 3.11Å; N273-E523 VanDerWaalsContact C-CD 3.48Å; N273-E523 VanDerWaalsContact C-OE2 3.27Å; N273-E523 VanDerWaalsContact O-OE2 3.13Å; E274-E523 WeakPolarHBondContact CA-OE2 3.5Å; E274-E523 VanDerWaalsContact N-CB 3.34Å; E274-E523 PolarHBondContact N-OE2 3.42Å; Q275-E523 VanDerWaalsContact CA-CB 3.49Å; Q275-E523 HydrophobicContact CB-CB 3.39Å; Q275-E523 PolarHBondContact N-OE2 2.95Å; S276-E523 WeakPolarHBondContact CA-OE2 3.45Å; S276-E523 VanDerWaalsContact CB-CG 3.47Å; S276-E523 WeakPolarHBondContact CB-OE1 3.3Å; S276-E523 VanDerWaalsContact N-CD 3.25Å; S276-E523 PolarHBondContact N-OE2 3.38Å; N277-E523 PolarHBondContact N-OE1 3.02Å; N277-E523 PolarHBondContact N-OE2 3.37Å; N277-E523 PolarHBondContact ND2-OE1 3.47Å; N277-E523 PolarHBondContact ND2-OE2 3.4Å; K280-E523 IonicContact NZ-OE1 2.61Å; K520-E523 PolarHBondContact O-N 3.13Å; K520-E523 VanDerWaalsContact O-N 3.09Å; Y521-E523 PolarHBondContact O-N 3.39Å; Y521-E523 VanDerWaalsContact O-N 3.14Å; E523-Q525 PolarHBondContact O-N 3.13Å; E523-V526 PolarHBondContact O-N 3Å; E523-Q527 HydrophobicContact CG-CG 3.92Å; E523-Q527 PolarHBondContact O-N 2.97Å; E523-Q527 PolarHBondContact OE1-NE2 3.22Å
524V44.9Very low58.3Low70 Ų7068.7 Ų68.742%0.42434%0.342SS..Hα-helixtrans-56.8-15.3-175.1167.40000111.2Q275 I279 Q527 L528Q275-V524 HydrophobicContact CB-CG2 4.11Å; Q275-V524 HydrophobicContact CG-CG2 3.95Å; I279-V524 HydrophobicContact CD1-CG2 3.89Å; V524-Q527 CarbonylContact O-C 3.58Å; V524-L528 WeakPolarHBondContact O-CA 3.25Å; V524-L528 VanDerWaalsContact O-CB 3.22Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 2.72Å
525Q58.2Low58.8Low54 Ų5465.5 Ų65.525%0.25234%0.336SS..Hα-helixtrans-115.16.1-175.3169.6179.222.600119.1I268 T272 Y521 E523 L528 N529I268-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 HydrophobicContact CG2-CB 3.54Å; T272-Q525 HydrophobicContact CG2-CG 4.39Å; T272-Q525 VanDerWaalsContact CG2-N 3.34Å; T272-Q525 WeakPolarHBondContact OG1-CA 3.29Å; T272-Q525 WeakPolarHBondContact OG1-CB 3.27Å; T272-Q525 WeakPolarHBondContact OG1-CG 3.08Å; T272-Q525 PolarHBondContact OG1-O 3.49Å; Y521-Q525 PolarHBondContact OH-OE1 3.43Å; E523-Q525 PolarHBondContact O-N 3.13Å; Q525-L528 VanDerWaalsContact CA-CB 3.49Å; Q525-L528 HydrophobicContact CB-CB 4.02Å; Q525-L528 HydrophobicContact CG-CB 4.45Å; Q525-N529 VanDerWaalsContact C-N 3.34Å; Q525-N529 WeakPolarHBondContact O-CA 3.23Å; Q525-N529 WeakPolarHBondContact O-CB 3.33Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact O-ND2 2.97Å; Q525-N529 VanDerWaalsContact O-ND2 3.09Å; Q525-N529 PolarHBondContact O-OD1 3.23Å
526V62.7Low59.1Low11 Ų1168.4 Ų68.47%0.06735%0.345CS..Hα-helixtrans-101.3-19.4144.8-179.80000108.5I269 T272 E523 L528 T530I269-V526 VanDerWaalsContact CA-CG2 3.4Å; I269-V526 HydrophobicContact CB-CG2 3.64Å; I269-V526 HydrophobicContact CG1-CG2 3.71Å; I269-V526 HydrophobicContact CG2-CG2 3.54Å; I269-V526 WeakPolarHBondContact O-CG2 3.42Å; T272-V526 VanDerWaalsContact O-CA 3.31Å; T272-V526 WeakPolarHBondContact O-CA 3.14Å; T272-V526 WeakPolarHBondContact O-CB 3.49Å; T272-V526 VanDerWaalsContact O-CG2 3.3Å; T272-V526 WeakPolarHBondContact O-CG2 3.37Å; T272-V526 PolarHBondContact O-N 2.94Å; T272-V526 PolarHBondContact OG1-N 3.3Å; E523-V526 PolarHBondContact O-N 3Å; V526-L528 VanDerWaalsContact C-N 3.34Å; V526-T530 WeakPolarHBondContact CG1-OG1 3.16Å; V526-T530 VanDerWaalsContact O-CA 3.27Å; V526-T530 WeakPolarHBondContact O-CA 3.39Å; V526-T530 WeakPolarHBondContact O-CB 3.14Å; V526-T530 PolarHBondContact O-N 2.9Å; V526-T530 PolarHBondContact O-OG1 3.34Å
527Q50.2Low59.5Low70 Ų7068.3 Ų68.333%0.32735%0.349SS..Hα-helixtrans-64.7-43152.9-64.3-170-3.800109.3S276 E523 V524 V531S276-Q527 PolarHBondContact OG-OE1 2.73Å; E523-Q527 HydrophobicContact CG-CG 3.92Å; E523-Q527 PolarHBondContact O-N 2.97Å; E523-Q527 PolarHBondContact OE1-NE2 3.22Å; V524-Q527 CarbonylContact O-C 3.58Å; Q527-V531 WeakPolarHBondContact O-CA 3.2Å; Q527-V531 WeakPolarHBondContact O-CB 3.41Å; Q527-V531 WeakPolarHBondContact O-CG2 3.47Å; Q527-V531 PolarHBondContact O-N 2.99Å
528L57.3Low60.2Low90 Ų9068.6 Ų68.647%0.47135%0.354SS..Hα-helixtrans-71.6-44.2169.9-149.275.2000113.7V524 Q525 V526 V531 Q532V524-L528 WeakPolarHBondContact O-CA 3.25Å; V524-L528 VanDerWaalsContact O-CB 3.22Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 2.72Å; Q525-L528 VanDerWaalsContact CA-CB 3.49Å; Q525-L528 HydrophobicContact CB-CB 4.02Å; Q525-L528 HydrophobicContact CG-CB 4.45Å; V526-L528 VanDerWaalsContact C-N 3.34Å; L528-V531 CarbonylContact O-C 3.59Å; L528-V531 PolarHBondContact O-N 3.34Å; L528-Q532 WeakPolarHBondContact O-CA 3.36Å; L528-Q532 WeakPolarHBondContact O-CB 3.48Å; L528-Q532 PolarHBondContact O-N 3.36Å
529N65.3Low61.1Low36 Ų3667.6 Ų67.619%0.19335%0.352CS..Hα-helixtrans-76.7-23-178.9-68.4-19000112.5Q525 N533Q525-N529 VanDerWaalsContact C-N 3.34Å; Q525-N529 WeakPolarHBondContact O-CA 3.23Å; Q525-N529 WeakPolarHBondContact O-CB 3.33Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact O-ND2 2.97Å; Q525-N529 VanDerWaalsContact O-ND2 3.09Å; Q525-N529 PolarHBondContact O-OD1 3.23Å; N529-N533 WeakPolarHBondContact O-CA 3.48Å; N529-N533 WeakPolarHBondContact O-CB 3.17Å; N529-N533 PolarHBondContact O-N 3.41Å; N529-N533 PolarHBondContact O-ND2 3.08Å
530T67.5Low61.5Low53 Ų5367.1 Ų67.133%0.32536%0.357SS..Hα-helixtrans-81.8-39.9167.2-56.30000110.3V526 Q532 H534V526-T530 WeakPolarHBondContact CG1-OG1 3.16Å; V526-T530 VanDerWaalsContact O-CA 3.27Å; V526-T530 WeakPolarHBondContact O-CA 3.39Å; V526-T530 WeakPolarHBondContact O-CB 3.14Å; V526-T530 PolarHBondContact O-N 2.9Å; V526-T530 PolarHBondContact O-OG1 3.34Å; T530-Q532 PolarHBondContact O-N 3.45Å; T530-H534 VanDerWaalsContact CG2-CE1 3.41Å; T530-H534 WeakPolarHBondContact CG2-CE1 3.39Å; T530-H534 WeakPolarHBondContact CG2-NE2 3.48Å; T530-H534 WeakPolarHBondContact O-CA 3.38Å; T530-H534 WeakPolarHBondContact O-CB 3.32Å; T530-H534 PolarHBondContact O-N 3.3Å; T530-H534 PolarHBondContact O-ND1 3.08Å
531V57.7Low62.1Low93 Ų9369 Ų6956%0.56437%0.369SS*.Hα-helixtrans-63.2-32.2170.6169.60000111.1Q527 L528 H534 L535Q527-V531 WeakPolarHBondContact O-CA 3.2Å; Q527-V531 WeakPolarHBondContact O-CB 3.41Å; Q527-V531 WeakPolarHBondContact O-CG2 3.47Å; Q527-V531 PolarHBondContact O-N 2.99Å; L528-V531 CarbonylContact O-C 3.59Å; L528-V531 PolarHBondContact O-N 3.34Å; V531-H534 CarbonylContact O-C 3.57Å; V531-L535 WeakPolarHBondContact O-CA 3.32Å; V531-L535 WeakPolarHBondContact O-CB 3.42Å; V531-L535 PolarHBondContact O-N 3.46Å
532Q62.9Low62.9Low87 Ų8767.8 Ų67.841%0.40737%0.366SS..Hα-helixtrans-85.5-37.1178-174.9167.4-25.200112.2L528 T530 H534 L535 E536L528-Q532 WeakPolarHBondContact O-CA 3.36Å; L528-Q532 WeakPolarHBondContact O-CB 3.48Å; L528-Q532 PolarHBondContact O-N 3.36Å; T530-Q532 PolarHBondContact O-N 3.45Å; Q532-H534 PolarHBondContact O-N 3.5Å; Q532-L535 CarbonylContact O-C 3.6Å; Q532-L535 PolarHBondContact O-N 3.06Å; Q532-L535 VanDerWaalsContact O-N 3.16Å; Q532-E536 HydrophobicContact CG-CG 4.28Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E536 PolarHBondContact NE2-OE1 3.18Å; Q532-E536 VanDerWaalsContact O-CB 3.26Å; Q532-E536 WeakPolarHBondContact O-CB 3.25Å; Q532-E536 VanDerWaalsContact O-CG 3.31Å; Q532-E536 WeakPolarHBondContact O-CG 3.3Å; Q532-E536 PolarHBondContact O-N 3.22Å
533N70.2Confident63.4Low86 Ų8673.3 Ų73.346%0.4639%0.391SS..Hα-helixtrans-65.8-30.9166.7-74.4-26.7000110.9N529 S537N529-N533 WeakPolarHBondContact O-CA 3.48Å; N529-N533 WeakPolarHBondContact O-CB 3.17Å; N529-N533 PolarHBondContact O-N 3.41Å; N529-N533 PolarHBondContact O-ND2 3.08Å; N533-S537 WeakPolarHBondContact O-CA 3.45Å; N533-S537 WeakPolarHBondContact O-CB 3.31Å; N533-S537 PolarHBondContact O-N 3.03Å; N533-S537 PolarHBondContact O-OG 2.98Å
534H65.7Low63.8Low114 Ų11477.2 Ų77.253%0.52841%0.41SS..Hα-helixtrans-72.4-38.6168.9-72.14.3000110.7T530 V531 Q532 S537 T538T530-H534 VanDerWaalsContact CG2-CE1 3.41Å; T530-H534 WeakPolarHBondContact CG2-CE1 3.39Å; T530-H534 WeakPolarHBondContact CG2-NE2 3.48Å; T530-H534 WeakPolarHBondContact O-CA 3.38Å; T530-H534 WeakPolarHBondContact O-CB 3.32Å; T530-H534 PolarHBondContact O-N 3.3Å; T530-H534 PolarHBondContact O-ND1 3.08Å; V531-H534 CarbonylContact O-C 3.57Å; Q532-H534 PolarHBondContact O-N 3.5Å; H534-S537 CarbonylContact O-C 3.09Å; H534-S537 PolarHBondContact O-N 2.84Å; H534-T538 WeakPolarHBondContact O-CA 3.31Å; H534-T538 WeakPolarHBondContact O-CB 3.31Å; H534-T538 PolarHBondContact O-N 3.15Å; H534-T538 PolarHBondContact O-OG1 2.79Å
535L63.7Low64.8Low97 Ų9776.5 Ų76.551%0.50840%0.403SS..Hα-helixtrans-69.6-35.6176.3-170.965.3000111.5V531 Q532 N539V531-L535 WeakPolarHBondContact O-CA 3.32Å; V531-L535 WeakPolarHBondContact O-CB 3.42Å; V531-L535 PolarHBondContact O-N 3.46Å; Q532-L535 CarbonylContact O-C 3.6Å; Q532-L535 PolarHBondContact O-N 3.06Å; Q532-L535 VanDerWaalsContact O-N 3.16Å; L535-N539 WeakPolarHBondContact O-CA 3.46Å; L535-N539 WeakPolarHBondContact O-CB 3.42Å; L535-N539 PolarHBondContact O-N 3.43Å; L535-N539 PolarHBondContact O-ND2 3.38Å; L535-N539 VanDerWaalsContact O-ND2 3.14Å
536E67Low65Low105 Ų10578.5 Ų78.549%0.49141%0.412SS..Hα-helixtrans-74.8-36.8173.4-71.8175.7-156.900111Q532 A540Q532-E536 HydrophobicContact CG-CG 4.28Å; Q532-E536 WeakPolarHBondContact CG-OE1 3.5Å; Q532-E536 PolarHBondContact NE2-OE1 3.18Å; Q532-E536 VanDerWaalsContact O-CB 3.26Å; Q532-E536 WeakPolarHBondContact O-CB 3.25Å; Q532-E536 VanDerWaalsContact O-CG 3.31Å; Q532-E536 WeakPolarHBondContact O-CG 3.3Å; Q532-E536 PolarHBondContact O-N 3.22Å; E536-A540 WeakPolarHBondContact O-CB 3.42Å; E536-A540 PolarHBondContact O-N 3.28Å
537S68.7Low65.5Low63 Ų6382.1 Ų82.144%0.44143%0.434SS..Hα-helixtrans-70.2-35.6170.6-61.50000112.3N533 H534 L541N533-S537 WeakPolarHBondContact O-CA 3.45Å; N533-S537 WeakPolarHBondContact O-CB 3.31Å; N533-S537 PolarHBondContact O-N 3.03Å; N533-S537 PolarHBondContact O-OG 2.98Å; H534-S537 CarbonylContact O-C 3.09Å; H534-S537 PolarHBondContact O-N 2.84Å; S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 WeakPolarHBondContact O-CD1 3.42Å; S537-L541 WeakPolarHBondContact O-CG 3.33Å; S537-L541 PolarHBondContact O-N 3.47Å
538T66.8Low66.5Low82 Ų8282.6 Ų82.650%0.50344%0.435SS..Hα-helixtrans-75.4-34.3176-69.40000110.2H534 L541 K542H534-T538 WeakPolarHBondContact O-CA 3.31Å; H534-T538 WeakPolarHBondContact O-CB 3.31Å; H534-T538 PolarHBondContact O-N 3.15Å; H534-T538 PolarHBondContact O-OG1 2.79Å; T538-L541 CarbonylContact O-C 3.52Å; T538-K542 WeakPolarHBondContact O-CA 3.22Å; T538-K542 WeakPolarHBondContact O-CB 3.34Å; T538-K542 PolarHBondContact O-N 2.92Å
539N67Low66.9Low72 Ų7282.5 Ų82.539%0.38543%0.434SS..Hα-helixtrans-70.6-39.4170-76.5-26.6000111.2L535 K542 E543L535-N539 WeakPolarHBondContact O-CA 3.46Å; L535-N539 WeakPolarHBondContact O-CB 3.42Å; L535-N539 PolarHBondContact O-N 3.43Å; L535-N539 PolarHBondContact O-ND2 3.38Å; L535-N539 VanDerWaalsContact O-ND2 3.14Å; N539-K542 CarbonylContact O-C 3.21Å; N539-K542 WeakPolarHBondContact O-CB 2.85Å; N539-K542 PolarHBondContact O-N 2.96Å; N539-E543 WeakPolarHBondContact O-CB 3.35Å; N539-E543 WeakPolarHBondContact O-CG 3.18Å; N539-E543 PolarHBondContact O-N 2.79Å
540A70.3Confident66.9Low55 Ų5585.2 Ų85.246%0.45545%0.452SS..Hα-helixtrans-66.5-41.2172.500000111.8E536 K542 E543 E544E536-A540 WeakPolarHBondContact O-CB 3.42Å; E536-A540 PolarHBondContact O-N 3.28Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 3.01Å; A540-E543 PolarHBondContact O-N 3.48Å; A540-E544 VanDerWaalsContact O-CB 3.25Å; A540-E544 WeakPolarHBondContact O-CB 3.14Å; A540-E544 PolarHBondContact O-N 2.94Å
541L67.8Low67.1Low70 Ų7086.3 Ų86.337%0.36646%0.456SS..Hα-helixtrans-67.8-27.4171.4-77.3164.1000112S537 T538 L545S537-L541 WeakPolarHBondContact O-CB 3.46Å; S537-L541 WeakPolarHBondContact O-CD1 3.42Å; S537-L541 WeakPolarHBondContact O-CG 3.33Å; S537-L541 PolarHBondContact O-N 3.47Å; T538-L541 CarbonylContact O-C 3.52Å; L541-L545 WeakPolarHBondContact O-CB 2.92Å; L541-L545 WeakPolarHBondContact O-CD1 3.5Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 2.85Å
542K68.7Low67.3Low100 Ų10086.5 Ų86.544%0.43545%0.453SS..Hα-helixtrans-74.9-44.6174.1-177.4-158.8167.1-141.80110.3T538 N539 A540 L545 E546T538-K542 WeakPolarHBondContact O-CA 3.22Å; T538-K542 WeakPolarHBondContact O-CB 3.34Å; T538-K542 PolarHBondContact O-N 2.92Å; N539-K542 CarbonylContact O-C 3.21Å; N539-K542 WeakPolarHBondContact O-CB 2.85Å; N539-K542 PolarHBondContact O-N 2.96Å; A540-K542 VanDerWaalsContact C-N 3.28Å; A540-K542 PolarHBondContact O-N 3.01Å; K542-L545 CarbonylContact O-C 3.14Å; K542-L545 WeakPolarHBondContact O-CA 3.47Å; K542-L545 PolarHBondContact O-N 2.97Å; K542-L545 VanDerWaalsContact O-N 3.16Å; K542-E546 WeakPolarHBondContact CE-OE1 3.33Å; K542-E546 HydrophobicContact CG-CG 4.49Å; K542-E546 IonicContact NZ-OE1 2.66Å; K542-E546 PolarHBondContact NZ-OE1 2.79Å; K542-E546 IonicContact NZ-OE2 2.78Å; K542-E546 WeakPolarHBondContact O-CB 3.49Å; K542-E546 WeakPolarHBondContact O-CG 3.41Å; K542-E546 PolarHBondContact O-N 3.38Å
543E68.5Low67.5Low129 Ų12987.2 Ų87.260%0.60346%0.46SS*.Hα-helixtrans-63.8-42.3172.5-73.7178.3-174.200110.4N539 A540 L545 E546 V547N539-E543 WeakPolarHBondContact O-CB 3.35Å; N539-E543 WeakPolarHBondContact O-CG 3.18Å; N539-E543 PolarHBondContact O-N 2.79Å; A540-E543 PolarHBondContact O-N 3.48Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; E543-E546 PolarHBondContact O-N 3.18Å; E543-V547 WeakPolarHBondContact O-CB 3.43Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.49Å; E543-V547 PolarHBondContact O-N 3.22Å
544E69.8Low67.6Low85 Ų8586 Ų8640%0.39745%0.45SS..Hα-helixtrans-62.1-36.1171.3-163.2-158.9147.500111.6A540 K548A540-E544 VanDerWaalsContact O-CB 3.25Å; A540-E544 WeakPolarHBondContact O-CB 3.14Å; A540-E544 PolarHBondContact O-N 2.94Å; E544-K548 HydrophobicContact CG-CD 4.27Å; E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 WeakPolarHBondContact O-CG 3.19Å; E544-K548 PolarHBondContact O-N 2.91Å; E544-K548 VanDerWaalsContact OE1-CE 3.23Å; E544-K548 WeakPolarHBondContact OE1-CE 3.05Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.47Å
545L65.8Low67.8Low54 Ų5483.7 Ų83.728%0.28344%0.444SS..Hα-helixtrans-74.6-34.6173.8-81.4166.9000113L541 K542 E543 K548 I549 K619L541-L545 WeakPolarHBondContact O-CB 2.92Å; L541-L545 WeakPolarHBondContact O-CD1 3.5Å; L541-L545 WeakPolarHBondContact O-CG 3.43Å; L541-L545 PolarHBondContact O-N 2.85Å; K542-L545 CarbonylContact O-C 3.14Å; K542-L545 WeakPolarHBondContact O-CA 3.47Å; K542-L545 PolarHBondContact O-N 2.97Å; K542-L545 VanDerWaalsContact O-N 3.16Å; E543-L545 VanDerWaalsContact C-N 3.29Å; E543-L545 PolarHBondContact O-N 3.27Å; L545-K548 CarbonylContact O-C 3.59Å; L545-K548 PolarHBondContact O-N 3.08Å; L545-I549 WeakPolarHBondContact O-CA 3.4Å; L545-I549 WeakPolarHBondContact O-CB 3.09Å; L545-I549 WeakPolarHBondContact O-CD1 3.36Å; L545-I549 WeakPolarHBondContact O-CG1 3.5Å; L545-I549 PolarHBondContact O-N 3Å; L545-K619 HydrophobicContact CD1-CD 4.2Å; L545-K619 HydrophobicContact CD2-CD 4.19Å
546E62.3Low67.7Low96 Ų9683.8 Ų83.845%0.44944%0.442SS..Hα-helixtrans-71.8-38.4176.7-78177.1161.800110K542 E543 T550K542-E546 WeakPolarHBondContact CE-OE1 3.33Å; K542-E546 HydrophobicContact CG-CG 4.49Å; K542-E546 IonicContact NZ-OE1 2.66Å; K542-E546 PolarHBondContact NZ-OE1 2.79Å; K542-E546 IonicContact NZ-OE2 2.78Å; K542-E546 WeakPolarHBondContact O-CB 3.49Å; K542-E546 WeakPolarHBondContact O-CG 3.41Å; K542-E546 PolarHBondContact O-N 3.38Å; E543-E546 PolarHBondContact O-N 3.18Å; E546-T550 WeakPolarHBondContact O-CB 3.29Å; E546-T550 PolarHBondContact O-N 3.34Å; E546-T550 PolarHBondContact O-OG1 2.72Å
547V72.7Confident67.9Low87 Ų8781.7 Ų81.753%0.52744%0.438SS..Hα-helixtrans-62.6-51.3166.7173.20000110.3E543 I549 T550 D551E543-V547 WeakPolarHBondContact O-CB 3.43Å; E543-V547 VanDerWaalsContact O-CG2 3.3Å; E543-V547 WeakPolarHBondContact O-CG2 3.49Å; E543-V547 PolarHBondContact O-N 3.22Å; V547-I549 VanDerWaalsContact C-N 3.31Å; V547-I549 PolarHBondContact O-N 2.93Å; V547-T550 CarbonylContact O-C 3.45Å; V547-T550 WeakPolarHBondContact O-CA 3.42Å; V547-T550 WeakPolarHBondContact O-CB 3.31Å; V547-T550 PolarHBondContact O-N 3.45Å; V547-T550 VanDerWaalsContact O-N 3.07Å; V547-D551 PolarHBondContact O-N 3.04Å
548K70.1Confident67.8Low81 Ų8182.1 Ų82.135%0.35243%0.434SS..Hα-helixtrans-65.3-28178.5-78.8174.8169.7178.80113.9E544 L545 L552E544-K548 HydrophobicContact CG-CD 4.27Å; E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 WeakPolarHBondContact O-CG 3.19Å; E544-K548 PolarHBondContact O-N 2.91Å; E544-K548 VanDerWaalsContact OE1-CE 3.23Å; E544-K548 WeakPolarHBondContact OE1-CE 3.05Å; E544-K548 IonicContact OE1-NZ 2.71Å; E544-K548 PolarHBondContact OE1-NZ 3.47Å; L545-K548 CarbonylContact O-C 3.59Å; L545-K548 PolarHBondContact O-N 3.08Å; K548-L552 WeakPolarHBondContact O-CB 3.47Å; K548-L552 WeakPolarHBondContact O-CD1 3.49Å; K548-L552 WeakPolarHBondContact O-CG 3.03Å; K548-L552 PolarHBondContact O-N 2.92Å
549I65.8Low67.8Low88 Ų8883 Ų8345%0.45143%0.434SS..Hα-helixtrans-74-38.3172.2-76162.8000109.6L545 V547 L552 L553L545-I549 WeakPolarHBondContact O-CA 3.4Å; L545-I549 WeakPolarHBondContact O-CB 3.09Å; L545-I549 WeakPolarHBondContact O-CD1 3.36Å; L545-I549 WeakPolarHBondContact O-CG1 3.5Å; L545-I549 PolarHBondContact O-N 3Å; V547-I549 VanDerWaalsContact C-N 3.31Å; V547-I549 PolarHBondContact O-N 2.93Å; I549-L552 PolarHBondContact O-N 3.07Å; I549-L553 HydrophobicContact CG2-CD1 3.93Å; I549-L553 HydrophobicContact CG2-CG 4.37Å; I549-L553 VanDerWaalsContact O-CB 3.31Å; I549-L553 WeakPolarHBondContact O-CB 3.48Å; I549-L553 VanDerWaalsContact O-CG 3.23Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 2.69Å
550T66.8Low67.5Low93 Ų9385 Ų8557%0.57144%0.442SS*.Hα-helixtrans-63.7-44.2172.5-55.50000110.9E546 V547 L553 K554E546-T550 WeakPolarHBondContact O-CB 3.29Å; E546-T550 PolarHBondContact O-N 3.34Å; E546-T550 PolarHBondContact O-OG1 2.72Å; V547-T550 CarbonylContact O-C 3.45Å; V547-T550 WeakPolarHBondContact O-CA 3.42Å; V547-T550 WeakPolarHBondContact O-CB 3.31Å; V547-T550 PolarHBondContact O-N 3.45Å; V547-T550 VanDerWaalsContact O-N 3.07Å; T550-L553 PolarHBondContact O-N 2.84Å; T550-K554 WeakPolarHBondContact O-CB 3.48Å; T550-K554 PolarHBondContact O-N 3.4Å
551D70.8Confident67.4Low76 Ų7686.2 Ų86.241%0.40644%0.444SS..Hα-helixtrans-66.3-37.3173.6-72.9-31.8000112.2V547 K554 V555V547-D551 PolarHBondContact O-N 3.04Å; D551-K554 WeakPolarHBondContact O-CB 3.09Å; D551-K554 PolarHBondContact O-N 2.84Å; D551-V555 VanDerWaalsContact O-CB 3.31Å; D551-V555 WeakPolarHBondContact O-CB 3.12Å; D551-V555 VanDerWaalsContact O-CG2 3.25Å; D551-V555 WeakPolarHBondContact O-CG2 3.34Å; D551-V555 PolarHBondContact O-N 3.33Å
552L61.5Low67.2Low96 Ų9687.8 Ų87.850%0.50345%0.45SS..Hα-helixtrans-72.1-33.8175.7-80.2167.6000112.6K548 I549 Q556K548-L552 WeakPolarHBondContact O-CB 3.47Å; K548-L552 WeakPolarHBondContact O-CD1 3.49Å; K548-L552 WeakPolarHBondContact O-CG 3.03Å; K548-L552 PolarHBondContact O-N 2.92Å; I549-L552 PolarHBondContact O-N 3.07Å; L552-Q556 WeakPolarHBondContact O-CB 3.23Å; L552-Q556 PolarHBondContact O-N 2.85Å
553L67.8Low67Low103 Ų10387 Ų8754%0.53945%0.454SS..Hα-helixtrans-70.3-37.3171.9-74.5169.1000111I549 T550 Q556 S557I549-L553 HydrophobicContact CG2-CD1 3.93Å; I549-L553 HydrophobicContact CG2-CG 4.37Å; I549-L553 VanDerWaalsContact O-CB 3.31Å; I549-L553 WeakPolarHBondContact O-CB 3.48Å; I549-L553 VanDerWaalsContact O-CG 3.23Å; I549-L553 WeakPolarHBondContact O-CG 3.38Å; I549-L553 PolarHBondContact O-N 2.69Å; T550-L553 PolarHBondContact O-N 2.84Å; L553-Q556 PolarHBondContact O-N 3.32Å; L553-S557 PolarHBondContact O-N 3.49Å
554K71.7Confident66.9Low61 Ų6184.2 Ų84.227%0.26545%0.449SS..Hα-helixtrans-61.6-53169.7178.4-173.8171.5-170.90110.8T550 D551 Q556 S557 E558 E947T550-K554 WeakPolarHBondContact O-CB 3.48Å; T550-K554 PolarHBondContact O-N 3.4Å; D551-K554 WeakPolarHBondContact O-CB 3.09Å; D551-K554 PolarHBondContact O-N 2.84Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 2.64Å; K554-S557 CarbonylContact O-C 3.58Å; K554-S557 WeakPolarHBondContact O-CA 3.25Å; K554-S557 WeakPolarHBondContact O-CB 3.42Å; K554-S557 PolarHBondContact O-N 3.39Å; K554-S557 PolarHBondContact O-OG 3.44Å; K554-E558 WeakPolarHBondContact CE-OE1 3.39Å; K554-E558 WeakPolarHBondContact O-CG 3.24Å; K554-E558 PolarHBondContact O-N 2.96Å; K554-E947 WeakPolarHBondContact CE-OE2 3.44Å; K554-E947 IonicContact NZ-OE1 2.79Å; K554-E947 PolarHBondContact NZ-OE1 3.33Å; K554-E947 IonicContact NZ-OE2 2.62Å; K554-E947 PolarHBondContact NZ-OE2 2.85Å
555V70Confident66.4Low65 Ų6584.8 Ų84.839%0.39445%0.454SS..Hα-helixtrans-61.8-31.1175.7167.50000111.9D551 E558 L559D551-V555 VanDerWaalsContact O-CB 3.31Å; D551-V555 WeakPolarHBondContact O-CB 3.12Å; D551-V555 VanDerWaalsContact O-CG2 3.25Å; D551-V555 WeakPolarHBondContact O-CG2 3.34Å; D551-V555 PolarHBondContact O-N 3.33Å; V555-E558 PolarHBondContact O-N 3.36Å; V555-L559 HydrophobicContact CG1-CD1 4.27Å; V555-L559 VanDerWaalsContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CB 3.46Å; V555-L559 PolarHBondContact O-N 3.44Å
556Q61.7Low65.8Low99 Ų9986.4 Ų86.446%0.46346%0.463SS..Hα-helixtrans-67.2-43.7170.7-178.9179.5-24.400110.9L552 L553 K554 E558 L559 E560L552-Q556 WeakPolarHBondContact O-CB 3.23Å; L552-Q556 PolarHBondContact O-N 2.85Å; L553-Q556 PolarHBondContact O-N 3.32Å; K554-Q556 VanDerWaalsContact C-N 3.26Å; K554-Q556 PolarHBondContact O-N 2.64Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.48Å; Q556-L559 CarbonylContact O-C 3.54Å; Q556-L559 PolarHBondContact O-N 2.9Å; Q556-L559 VanDerWaalsContact O-N 3.16Å; Q556-E560 HydrophobicContact CG-CG 4.41Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 3.41Å; Q556-E560 WeakPolarHBondContact O-CB 3.3Å; Q556-E560 WeakPolarHBondContact O-CG 3.19Å; Q556-E560 PolarHBondContact O-N 2.89Å
557S70.9Confident65.6Low60 Ų6089.7 Ų89.742%0.4248%0.476SS..Hα-helixtrans-64.7-34.6174.680.40000112.3L553 K554 T561L553-S557 PolarHBondContact O-N 3.49Å; K554-S557 CarbonylContact O-C 3.58Å; K554-S557 WeakPolarHBondContact O-CA 3.25Å; K554-S557 WeakPolarHBondContact O-CB 3.42Å; K554-S557 PolarHBondContact O-N 3.39Å; K554-S557 PolarHBondContact O-OG 3.44Å; S557-T561 WeakPolarHBondContact O-CB 3.16Å; S557-T561 WeakPolarHBondContact O-CG2 3.28Å; S557-T561 PolarHBondContact O-N 2.84Å; S557-T561 PolarHBondContact O-OG1 2.91Å
558E68Low64.7Low73 Ų7391.9 Ų91.934%0.34148%0.481SS..Hα-helixtrans-68.2-38.5171.3-69.5174-163.600111.3K554 V555 Q556 T561 M562K554-E558 WeakPolarHBondContact CE-OE1 3.39Å; K554-E558 WeakPolarHBondContact O-CG 3.24Å; K554-E558 PolarHBondContact O-N 2.96Å; V555-E558 PolarHBondContact O-N 3.36Å; Q556-E558 VanDerWaalsContact C-N 3.29Å; Q556-E558 PolarHBondContact O-N 3.48Å; E558-T561 WeakPolarHBondContact CA-OG1 3.47Å; E558-T561 PolarHBondContact O-OG1 3.41Å; E558-T561 VanDerWaalsContact O-OG1 3.1Å; E558-M562 WeakPolarHBondContact O-CB 3.2Å; E558-M562 WeakPolarHBondContact O-CG 3.21Å; E558-M562 PolarHBondContact O-N 2.79Å
559L66.2Low64Low99 Ų9992 Ų9252%0.51848%0.484SS..Hα-helixtrans-68.9-40173.6-97.8161.8000112.6V555 Q556 M562 V563V555-L559 HydrophobicContact CG1-CD1 4.27Å; V555-L559 VanDerWaalsContact O-CB 3.31Å; V555-L559 WeakPolarHBondContact O-CB 3.46Å; V555-L559 PolarHBondContact O-N 3.44Å; Q556-L559 CarbonylContact O-C 3.54Å; Q556-L559 PolarHBondContact O-N 2.9Å; Q556-L559 VanDerWaalsContact O-N 3.16Å; L559-M562 CarbonylContact O-C 3.59Å; L559-M562 PolarHBondContact O-N 2.9Å; L559-V563 VanDerWaalsContact O-CB 3.26Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 WeakPolarHBondContact O-CG2 3.24Å; L559-V563 PolarHBondContact O-N 3.5Å
560E60Low63.4Low115 Ų11594 Ų9454%0.53749%0.491SS..Hα-helixtrans-68.3-41.2177.1-74.8178.1-161.400111.1Q556 V563 S564Q556-E560 HydrophobicContact CG-CG 4.41Å; Q556-E560 WeakPolarHBondContact CG-OE1 3.45Å; Q556-E560 PolarHBondContact NE2-OE1 3.41Å; Q556-E560 WeakPolarHBondContact O-CB 3.3Å; Q556-E560 WeakPolarHBondContact O-CG 3.19Å; Q556-E560 PolarHBondContact O-N 2.89Å; E560-V563 PolarHBondContact O-N 3.42Å; E560-S564 WeakPolarHBondContact O-CB 3.43Å; E560-S564 PolarHBondContact O-N 2.88Å
561T68.9Low62.8Low81 Ų8194.1 Ų94.150%0.49749%0.489SS..Hα-helixtrans-69.2-38.417253.10000112.2S557 E558 S564 N565S557-T561 WeakPolarHBondContact O-CB 3.16Å; S557-T561 WeakPolarHBondContact O-CG2 3.28Å; S557-T561 PolarHBondContact O-N 2.84Å; S557-T561 PolarHBondContact O-OG1 2.91Å; E558-T561 WeakPolarHBondContact CA-OG1 3.47Å; E558-T561 PolarHBondContact O-OG1 3.41Å; E558-T561 VanDerWaalsContact O-OG1 3.1Å; T561-S564 WeakPolarHBondContact O-CB 3.43Å; T561-S564 PolarHBondContact O-N 3.05Å; T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 VanDerWaalsContact O-CG 3.26Å; T561-N565 PolarHBondContact O-N 3.26Å; T561-N565 PolarHBondContact O-ND2 3.14Å
562M64.1Low62.2Low103 Ų10397.2 Ų97.251%0.50750%0.499SS..Hα-helixtrans-65.7-35.4171-78-166.7-142.500112.6E558 L559 N565 N566E558-M562 WeakPolarHBondContact O-CB 3.2Å; E558-M562 WeakPolarHBondContact O-CG 3.21Å; E558-M562 PolarHBondContact O-N 2.79Å; L559-M562 CarbonylContact O-C 3.59Å; L559-M562 PolarHBondContact O-N 2.9Å; M562-N565 PolarHBondContact O-N 2.88Å; M562-N566 WeakPolarHBondContact O-CB 3.19Å; M562-N566 VanDerWaalsContact O-CG 3.25Å; M562-N566 PolarHBondContact O-N 3.42Å; M562-N566 PolarHBondContact O-ND2 3.19Å
563V64.4Low61.6Low84 Ų8495.8 Ų95.851%0.50949%0.491SS..Hα-helixtrans-69.9-37.2174.91640000110.7L559 E560 K567L559-V563 VanDerWaalsContact O-CB 3.26Å; L559-V563 WeakPolarHBondContact O-CB 3.49Å; L559-V563 WeakPolarHBondContact O-CG2 3.24Å; L559-V563 PolarHBondContact O-N 3.5Å; E560-V563 PolarHBondContact O-N 3.42Å; V563-K567 PolarHBondContact O-N 2.93Å
564S65.3Low61.1Low70 Ų7097.5 Ų97.549%0.4950%0.495SS..Hα-helixtrans-63.7-43.7171.3-161.70000111.9E560 T561 K567E560-S564 WeakPolarHBondContact O-CB 3.43Å; E560-S564 PolarHBondContact O-N 2.88Å; T561-S564 WeakPolarHBondContact O-CB 3.43Å; T561-S564 PolarHBondContact O-N 3.05Å; S564-K567 WeakPolarHBondContact O-CB 3.48Å; S564-K567 PolarHBondContact O-N 3.16Å
565N59.9Low60.4Low96 Ų96101.8 Ų101.851%0.51352%0.516SS..Hα-helixtrans-70.8-38.2176.8-72.3-26.8000112.8T561 M562 K567 Q568 L569T561-N565 WeakPolarHBondContact O-CB 3.38Å; T561-N565 VanDerWaalsContact O-CG 3.26Å; T561-N565 PolarHBondContact O-N 3.26Å; T561-N565 PolarHBondContact O-ND2 3.14Å; M562-N565 PolarHBondContact O-N 2.88Å; N565-K567 VanDerWaalsContact C-N 3.29Å; N565-K567 PolarHBondContact O-N 3.4Å; N565-Q568 CarbonylContact O-C 3.55Å; N565-Q568 WeakPolarHBondContact O-CA 3.12Å; N565-Q568 WeakPolarHBondContact O-CB 3.21Å; N565-Q568 PolarHBondContact O-N 2.94Å; N565-L569 PolarHBondContact O-N 2.92Å
566N54Low59.5Low88 Ų88104.9 Ų104.947%0.47153%0.529SS..Hα-helixtrans-67.2-29.5175-80.2-45000112M562 Q568 L569 H570M562-N566 WeakPolarHBondContact O-CB 3.19Å; M562-N566 VanDerWaalsContact O-CG 3.25Å; M562-N566 PolarHBondContact O-N 3.42Å; M562-N566 PolarHBondContact O-ND2 3.19Å; N566-Q568 PolarHBondContact O-N 3.24Å; N566-L569 PolarHBondContact O-N 2.97Å; N566-H570 WeakPolarHBondContact O-CB 3.38Å; N566-H570 PolarHBondContact O-N 2.83Å
567K57Low59Low165 Ų165107 Ų10772%0.71754%0.542SS*.Hα-helixtrans-59.6-30.9166.1-100.41771771720112.9V563 S564 N565V563-K567 PolarHBondContact O-N 2.93Å; S564-K567 WeakPolarHBondContact O-CB 3.48Å; S564-K567 PolarHBondContact O-N 3.16Å; N565-K567 VanDerWaalsContact C-N 3.29Å; N565-K567 PolarHBondContact O-N 3.4Å
568Q55Low58.1Low134 Ų134113.2 Ų113.263%0.62656%0.561SS**Hα-helixtrans-84.3-30.6171.9-58.7-169.313.100113.1N565 N566N565-Q568 CarbonylContact O-C 3.55Å; N565-Q568 WeakPolarHBondContact O-CA 3.12Å; N565-Q568 WeakPolarHBondContact O-CB 3.21Å; N565-Q568 PolarHBondContact O-N 2.94Å; N566-Q568 PolarHBondContact O-N 3.24Å
569L54.1Low57Low82 Ų82117 Ų11743%0.42958%0.579SS.*Hα-helixtrans-67.9-39.4178.7-148.281.6000111.9N565 N566 D571 K572 D573N565-L569 PolarHBondContact O-N 2.92Å; N566-L569 PolarHBondContact O-N 2.97Å; L569-D571 PolarHBondContact O-N 2.78Å; L569-D571 VanDerWaalsContact O-N 3.11Å; L569-K572 WeakPolarHBondContact O-CA 3.42Å; L569-K572 WeakPolarHBondContact O-CB 3.27Å; L569-K572 PolarHBondContact O-N 2.86Å; L569-D573 PolarHBondContact O-N 3.41Å
570H52.7Low55.7Low130 Ų130120.2 Ų120.260%0.60260%0.596SS**Hα-helixtrans-62.8-23.7-174.5-154.3-27.2000114.1N566N566-H570 WeakPolarHBondContact O-CB 3.38Å; N566-H570 PolarHBondContact O-N 2.83Å
571D55.6Low54.7Low96 Ų96120.6 Ų120.651%0.51361%0.606SS.*Hα-helixtrans-88.5-15.9172.2-82.8-22.2000113.8L569 K574L569-D571 PolarHBondContact O-N 2.78Å; L569-D571 VanDerWaalsContact O-N 3.11Å; D571-K574 IonicContact OD1-NZ 3.97Å; D571-K574 PolarHBondContact OD1-NZ 3.05Å
572K57.4Low53.4Low142 Ų142123.9 Ų123.962%0.61762%0.621SS**Hα-helixtrans-78-42166.1-75.4178.7176.7171.30111.6L569 K574 Q575 L576L569-K572 WeakPolarHBondContact O-CA 3.42Å; L569-K572 WeakPolarHBondContact O-CB 3.27Å; L569-K572 PolarHBondContact O-N 2.86Å; K572-K574 VanDerWaalsContact C-N 3.28Å; K572-K574 PolarHBondContact O-N 2.99Å; K572-Q575 WeakPolarHBondContact O-CA 3.32Å; K572-Q575 WeakPolarHBondContact O-CB 3.49Å; K572-Q575 PolarHBondContact O-N 3.44Å; K572-L576 PolarHBondContact O-N 2.77Å; K572-L576 VanDerWaalsContact O-N 3.15Å
573D48.2Very low52.4Low65 Ų65126.8 Ų126.835%0.34863%0.633SS.*Hα-helixtrans-63.7-33.4-179.4-68.3-35000112.7L569 Q575 L576 I577L569-D573 PolarHBondContact O-N 3.41Å; D573-Q575 PolarHBondContact O-N 2.94Å; D573-Q575 VanDerWaalsContact O-N 3.14Å; D573-L576 PolarHBondContact O-N 3.26Å; D573-L576 VanDerWaalsContact O-N 3.09Å; D573-I577 WeakPolarHBondContact O-CD1 3.47Å; D573-I577 VanDerWaalsContact O-CG1 3.26Å; D573-I577 WeakPolarHBondContact O-CG1 3.49Å; D573-I577 PolarHBondContact O-N 2.82Å
574K58.6Low51.4Low140 Ų140129.1 Ų129.161%0.60964%0.638SS**Hα-helixtrans-56.7-24168.9-87.5177.1-169.4151.50114.3D571 K572D571-K574 IonicContact OD1-NZ 3.97Å; D571-K574 PolarHBondContact OD1-NZ 3.05Å; K572-K574 VanDerWaalsContact C-N 3.28Å; K572-K574 PolarHBondContact O-N 2.99Å
575Q55.9Low50.5Low151 Ų151131.9 Ų131.971%0.70665%0.648SS**Hα-helixtrans-90-35.6174.8-54.9-171.123.600111.5K572 D573K572-Q575 WeakPolarHBondContact O-CA 3.32Å; K572-Q575 WeakPolarHBondContact O-CB 3.49Å; K572-Q575 PolarHBondContact O-N 3.44Å; D573-Q575 PolarHBondContact O-N 2.94Å; D573-Q575 VanDerWaalsContact O-N 3.14Å
576L51.4Low50.2Low130 Ų130135.3 Ų135.368%0.68166%0.661SS**Hα-helixtrans-73.8-38.5-175.6-157.870.7000113.5K572 D573 K578 H579K572-L576 PolarHBondContact O-N 2.77Å; K572-L576 VanDerWaalsContact O-N 3.15Å; D573-L576 PolarHBondContact O-N 3.26Å; D573-L576 VanDerWaalsContact O-N 3.09Å; L576-K578 PolarHBondContact O-N 2.84Å; L576-H579 PolarHBondContact O-N 3.36Å
577I52.3Low50.2Low143 Ų143138.6 Ų138.673%0.73367%0.671SS**THydrogen-bonded Turntrans-54.9-20.8-179.2-74.3165.5000113.3D573D573-I577 WeakPolarHBondContact O-CD1 3.47Å; D573-I577 VanDerWaalsContact O-CG1 3.26Å; D573-I577 WeakPolarHBondContact O-CG1 3.49Å; D573-I577 PolarHBondContact O-N 2.82Å
578K51.6Low49.8Very low190 Ų190138.5 Ų138.583%0.82667%0.667SS**THydrogen-bonded Turntrans-82.8-12-173-153.6171.1-174.5176.20115L576L576-K578 PolarHBondContact O-N 2.84Å
579H45.1Very low50.1Low152 Ų152135.7 Ų135.770%0.70466%0.662SS**SBendtrans-105.3-46-154.9-115.3-60.4000118.7L576L576-H579 PolarHBondContact O-N 3.36Å
580L39.5Very low50.6Low167 Ų167138.2 Ų138.287%0.87467%0.672SS**  trans-139.490.9-168.2-72.5174.2000113.6
581T37.4Very low51Low123 Ų123136.7 Ų136.776%0.75567%0.667SS**  trans-99.5149152.8-25.10000108.4
582N42.4Very low51.8Low150 Ų150137.8 Ų137.880%0.80267%0.668SS**  trans73.492.1180-45-39.9000116.1
583E43.6Very low52.5Low164 Ų164136 Ų13677%0.76667%0.665SS**  -162.5136.6116.5-114.6-163139.900115.3
584Q42.4Very low53.6Low134 Ų134138.7 Ų138.763%0.62668%0.675SS**  trans69.2120.2157.9-50.5-164.316.200120.8
585N46.5Very low54.3Low128 Ų128138.8 Ų138.868%0.68467%0.673SS**Hα-helixtrans-85-11.7-166-70.3-19.5000116.1Y588 S589N585-Y588 VanDerWaalsContact O-CB 3.27Å; N585-Y588 WeakPolarHBondContact O-CB 3.18Å; N585-Y588 PolarHBondContact O-N 3.43Å; N585-S589 PolarHBondContact O-N 3.29Å
586E53.8Low55.3Low168 Ų168134.5 Ų134.579%0.78566%0.655SS**Hα-helixtrans-73.3-37.6178.5-72.9-173.3129.800111.9Y588 S589 Q590E586-Y588 PolarHBondContact O-N 3.43Å; E586-S589 PolarHBondContact O-N 3.47Å; E586-Q590 PolarHBondContact O-N 3.44Å
587K53.8Low56.4Low156 Ų156134 Ų13468%0.67865%0.653SS**Hα-helixtrans-60.5-34.2167.5-107.8-168.7174.8-168.90111.7S589 Q590 L591K587-S589 VanDerWaalsContact C-N 3.31Å; K587-S589 PolarHBondContact O-N 3.43Å; K587-Q590 PolarHBondContact O-N 2.61Å; K587-L591 VanDerWaalsContact O-CB 3.3Å; K587-L591 WeakPolarHBondContact O-CB 3.31Å; K587-L591 PolarHBondContact O-N 2.96Å
588Y49Very low57.4Low164 Ų164132.2 Ų132.264%0.64365%0.645SS**Hα-helixtrans-61.7-33.9172.2-98.3-85000112.8N585 E586 F592N585-Y588 VanDerWaalsContact O-CB 3.27Å; N585-Y588 WeakPolarHBondContact O-CB 3.18Å; N585-Y588 PolarHBondContact O-N 3.43Å; E586-Y588 PolarHBondContact O-N 3.43Å; Y588-F592 WeakPolarHBondContact O-CA 3.08Å; Y588-F592 WeakPolarHBondContact O-CB 3.11Å; Y588-F592 PolarHBondContact O-N 2.95Å
589S61.5Low58.6Low75 Ų75126.7 Ų126.752%0.52462%0.624SS.*Hα-helixtrans-71.7-35.7176.4-67.70000113N585 E586 K587 N593N585-S589 PolarHBondContact O-N 3.29Å; E586-S589 PolarHBondContact O-N 3.47Å; K587-S589 VanDerWaalsContact C-N 3.31Å; K587-S589 PolarHBondContact O-N 3.43Å; S589-N593 PolarHBondContact O-N 3.46Å; S589-N593 VanDerWaalsContact O-N 3.15Å
590Q64.4Low60.1Low134 Ų134125.4 Ų125.463%0.62662%0.616SS**Hα-helixtrans-71.3-50.1173-74.9-178.6-4500111.1E586 K587 F592 N593 E594E586-Q590 PolarHBondContact O-N 3.44Å; K587-Q590 PolarHBondContact O-N 2.61Å; Q590-F592 PolarHBondContact O-N 3.47Å; Q590-N593 PolarHBondContact O-N 3.37Å; Q590-E594 PolarHBondContact O-N 2.97Å
591L61.2Low61.8Low98 Ų98122.9 Ų122.951%0.51360%0.6SS.*Hα-helixtrans-61.4-28.8174.5-81164.4000113K587 Y595K587-L591 VanDerWaalsContact O-CB 3.3Å; K587-L591 WeakPolarHBondContact O-CB 3.31Å; K587-L591 PolarHBondContact O-N 2.96Å; L591-Y595 WeakPolarHBondContact O-CA 3.26Å; L591-Y595 WeakPolarHBondContact O-CB 3.17Å; L591-Y595 PolarHBondContact O-N 2.82Å
592F71.1Confident63.3Low120 Ų120122 Ų12253%0.52659%0.59SS.*Hα-helixtrans-74.9-33.4174.1-174.4-110.5000111.7Y588 Q590 N596Y588-F592 WeakPolarHBondContact O-CA 3.08Å; Y588-F592 WeakPolarHBondContact O-CB 3.11Å; Y588-F592 PolarHBondContact O-N 2.95Å; Q590-F592 PolarHBondContact O-N 3.47Å; F592-N596 VanDerWaalsContact CD1-ND2 3.26Å; F592-N596 WeakPolarHBondContact CD1-ND2 3.5Å; F592-N596 WeakPolarHBondContact CE1-ND2 3.4Å; F592-N596 WeakPolarHBondContact CZ-ND2 3.46Å; F592-N596 WeakPolarHBondContact O-CB 3.04Å; F592-N596 PolarHBondContact O-N 3.1Å; F592-N596 PolarHBondContact O-ND2 3.25Å
593N73.3Confident64.8Low104 Ų104119.4 Ų119.456%0.55658%0.576SS**Hα-helixtrans-73.1-40172.1-75-13.3000112S589 Q590 N596 N597S589-N593 PolarHBondContact O-N 3.46Å; S589-N593 VanDerWaalsContact O-N 3.15Å; Q590-N593 PolarHBondContact O-N 3.37Å; N593-N596 PolarHBondContact O-N 2.99Å; N593-N597 WeakPolarHBondContact O-CB 3.46Å; N593-N597 PolarHBondContact O-N 3.37Å
594E71.6Confident66.2Low121 Ų121115 Ų11557%0.56556%0.557SS**Hα-helixtrans-64.3-44.5171.7-71.7170.1166.300110.9Q590 N596 N597 L598Q590-E594 PolarHBondContact O-N 2.97Å; E594-N596 PolarHBondContact O-N 2.9Å; E594-N597 PolarHBondContact O-N 3.38Å; E594-L598 WeakPolarHBondContact O-CB 3.48Å; E594-L598 PolarHBondContact O-N 3.42Å
595Y72.9Confident67.6Low142 Ų142112.7 Ų112.756%0.55755%0.55SS*.Hα-helixtrans-62.6-40173.1-178.8-88.6000111.9L591 N599L591-Y595 WeakPolarHBondContact O-CA 3.26Å; L591-Y595 WeakPolarHBondContact O-CB 3.17Å; L591-Y595 PolarHBondContact O-N 2.82Å; Y595-N599 HydrophobicContact CD1-CB 4.41Å; Y595-N599 HydrophobicContact CE1-CB 4.25Å; Y595-N599 WeakPolarHBondContact O-CA 3.38Å; Y595-N599 WeakPolarHBondContact O-CB 3.2Å; Y595-N599 PolarHBondContact O-N 2.93Å
596N75.8Confident69Low62 Ų62111.3 Ų111.333%0.33254%0.542SS..Hα-helixtrans-69.3-38.4176.5-75-34.3000112.2F592 N593 E594 K600F592-N596 VanDerWaalsContact CD1-ND2 3.26Å; F592-N596 WeakPolarHBondContact CD1-ND2 3.5Å; F592-N596 WeakPolarHBondContact CE1-ND2 3.4Å; F592-N596 WeakPolarHBondContact CZ-ND2 3.46Å; F592-N596 WeakPolarHBondContact O-CB 3.04Å; F592-N596 PolarHBondContact O-N 3.1Å; F592-N596 PolarHBondContact O-ND2 3.25Å; N593-N596 PolarHBondContact O-N 2.99Å; E594-N596 PolarHBondContact O-N 2.9Å; N596-K600 VanDerWaalsContact O-CB 3.29Å; N596-K600 WeakPolarHBondContact O-CB 3.37Å; N596-K600 PolarHBondContact O-N 3.39Å
597N76Confident69.9Low120 Ų120109.3 Ų109.364%0.64253%0.533SS*.Hα-helixtrans-65.8-47.6172.2-88.7-5.4000111.2N593 E594 K600 Q601N593-N597 WeakPolarHBondContact O-CB 3.46Å; N593-N597 PolarHBondContact O-N 3.37Å; E594-N597 PolarHBondContact O-N 3.38Å; N597-K600 PolarHBondContact O-N 3.23Å; N597-Q601 WeakPolarHBondContact O-CB 3.41Å; N597-Q601 PolarHBondContact O-N 2.79Å
598L73.7Confident70.6Confident105 Ų105108.1 Ų108.155%0.5553%0.529SS..Hα-helixtrans-65.9-38.4179.5-169.971.7000111.5E594 Q601 L602E594-L598 WeakPolarHBondContact O-CB 3.48Å; E594-L598 PolarHBondContact O-N 3.42Å; L598-Q601 CarbonylContact O-C 3.59Å; L598-Q601 PolarHBondContact O-N 3.31Å; L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.36Å
599N75.6Confident71.5Confident73 Ų73104.9 Ų104.939%0.3952%0.523SS..Hα-helixtrans-72.5-30.9175.2-173.687.9000111.8Y595 L603Y595-N599 HydrophobicContact CD1-CB 4.41Å; Y595-N599 HydrophobicContact CE1-CB 4.25Å; Y595-N599 WeakPolarHBondContact O-CA 3.38Å; Y595-N599 WeakPolarHBondContact O-CB 3.2Å; Y595-N599 PolarHBondContact O-N 2.93Å; N599-L603 WeakPolarHBondContact O-CB 3.29Å; N599-L603 PolarHBondContact O-N 3.27Å
600K77.9Confident72Confident125 Ų125106 Ų10654%0.54352%0.518SS..Hα-helixtrans-67.6-46.7167.6-167.2-162.3171.5-155.70110.4N596 N597 L602 L603 D604N596-K600 VanDerWaalsContact O-CB 3.29Å; N596-K600 WeakPolarHBondContact O-CB 3.37Å; N596-K600 PolarHBondContact O-N 3.39Å; N597-K600 PolarHBondContact O-N 3.23Å; K600-L602 VanDerWaalsContact C-N 3.27Å; K600-L602 PolarHBondContact O-N 3.48Å; K600-L603 CarbonylContact O-C 3.59Å; K600-L603 WeakPolarHBondContact O-CA 3.46Å; K600-L603 WeakPolarHBondContact O-CB 3.48Å; K600-L603 PolarHBondContact O-N 2.68Å; K600-D604 WeakPolarHBondContact CE-OD2 3.48Å; K600-D604 IonicContact NZ-OD2 3.02Å; K600-D604 WeakPolarHBondContact O-CB 3.45Å; K600-D604 VanDerWaalsContact O-CG 3.24Å; K600-D604 PolarHBondContact O-N 2.74Å
601Q73.3Confident72.3Confident115 Ų115103.9 Ų103.954%0.53751%0.51SS..Hα-helixtrans-63.6-34.3177.7-160.9170.415.800111.6N597 L598 N605N597-Q601 WeakPolarHBondContact O-CB 3.41Å; N597-Q601 PolarHBondContact O-N 2.79Å; L598-Q601 CarbonylContact O-C 3.59Å; L598-Q601 PolarHBondContact O-N 3.31Å; Q601-N605 WeakPolarHBondContact O-CB 3.04Å; Q601-N605 PolarHBondContact O-N 3.38Å; Q601-N605 PolarHBondContact O-ND2 2.95Å; Q601-N605 PolarHBondContact O-OD1 2.86Å
602L69.8Low72.4Confident105 Ų105102.7 Ų102.755%0.5550%0.502SS..Hα-helixtrans-67.3-36.2169-108.2159.8000112.4L598 K600 N606L598-L602 VanDerWaalsContact O-CB 3.3Å; L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.36Å; K600-L602 VanDerWaalsContact C-N 3.27Å; K600-L602 PolarHBondContact O-N 3.48Å; L602-N606 WeakPolarHBondContact O-CB 3.37Å; L602-N606 PolarHBondContact O-N 2.86Å
603L74.7Confident72.1Confident95 Ų95102.2 Ų102.250%0.49750%0.501SS..Hα-helixtrans-70.1-48.8175.8-16870.5000111N599 K600 N605 N606 E607N599-L603 WeakPolarHBondContact O-CB 3.29Å; N599-L603 PolarHBondContact O-N 3.27Å; K600-L603 CarbonylContact O-C 3.59Å; K600-L603 WeakPolarHBondContact O-CA 3.46Å; K600-L603 WeakPolarHBondContact O-CB 3.48Å; K600-L603 PolarHBondContact O-N 2.68Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.42Å; L603-N606 CarbonylContact O-C 3.58Å; L603-N606 PolarHBondContact O-N 3.47Å; L603-N606 VanDerWaalsContact O-N 3.1Å; L603-E607 PolarHBondContact O-N 2.87Å
604D71.6Confident72.1Confident70 Ų70101.6 Ų101.637%0.37450%0.498SS..Hα-helixtrans-58.5-43.9175.5-62.1-12.6000109.9K600 Q608K600-D604 WeakPolarHBondContact CE-OD2 3.48Å; K600-D604 IonicContact NZ-OD2 3.02Å; K600-D604 WeakPolarHBondContact O-CB 3.45Å; K600-D604 VanDerWaalsContact O-CG 3.24Å; K600-D604 PolarHBondContact O-N 2.74Å; D604-Q608 PolarHBondContact O-N 2.8Å
605N72.7Confident72Confident87 Ų87100.6 Ų100.647%0.46549%0.492SS..Hα-helixtrans-67.2-34.5174-72.9-2.3000113Q601 L603 Q608 L609Q601-N605 WeakPolarHBondContact O-CB 3.04Å; Q601-N605 PolarHBondContact O-N 3.38Å; Q601-N605 PolarHBondContact O-ND2 2.95Å; Q601-N605 PolarHBondContact O-OD1 2.86Å; L603-N605 VanDerWaalsContact C-N 3.32Å; L603-N605 PolarHBondContact O-N 3.42Å; N605-Q608 PolarHBondContact O-N 2.87Å; N605-L609 VanDerWaalsContact O-CB 3.24Å; N605-L609 WeakPolarHBondContact O-CB 3.2Å; N605-L609 PolarHBondContact O-N 3.12Å
606N74.8Confident71.5Confident98 Ų9898.2 Ų98.252%0.52449%0.489SS..Hα-helixtrans-78.5-29.2179.5-166.422.6000111.5L602 L603 K610L602-N606 WeakPolarHBondContact O-CB 3.37Å; L602-N606 PolarHBondContact O-N 2.86Å; L603-N606 CarbonylContact O-C 3.58Å; L603-N606 PolarHBondContact O-N 3.47Å; L603-N606 VanDerWaalsContact O-N 3.1Å; N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.49Å
607E72.8Confident71Confident126 Ų126100.5 Ų100.559%0.58950%0.499SS*.Hα-helixtrans-67.4-43.6165.3-71.8-159.8160.200111.2L603 K610 I611L603-E607 PolarHBondContact O-N 2.87Å; E607-K610 PolarHBondContact O-N 3.45Å; E607-I611 WeakPolarHBondContact O-CB 3.44Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.4Å; E607-I611 PolarHBondContact O-N 2.81Å
608Q68.4Low70.5Confident131 Ų13199.3 Ų99.361%0.61249%0.492SS*.Hα-helixtrans-59.1-47.8171.2-79.4-166-13.400112.3D604 N605 K610 I611 E612D604-Q608 PolarHBondContact O-N 2.8Å; N605-Q608 PolarHBondContact O-N 2.87Å; Q608-K610 PolarHBondContact O-N 2.85Å; Q608-I611 WeakPolarHBondContact O-CB 3.47Å; Q608-I611 PolarHBondContact O-N 3.45Å; Q608-I611 VanDerWaalsContact O-N 3.11Å; Q608-E612 PolarHBondContact O-N 2.83Å
609L67.9Low70.1Confident97 Ų9796.7 Ų96.751%0.50848%0.476SS..Hα-helixtrans-65.3-30.3-179.7-167.1144.1000111.5N605 Q613N605-L609 VanDerWaalsContact O-CB 3.24Å; N605-L609 WeakPolarHBondContact O-CB 3.2Å; N605-L609 PolarHBondContact O-N 3.12Å; L609-Q613 HydrophobicContact CD2-CG 4.21Å; L609-Q613 VanDerWaalsContact O-CB 3.3Å; L609-Q613 WeakPolarHBondContact O-CB 3.43Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.43Å; L609-Q613 PolarHBondContact O-N 3.16Å
610K72.1Confident69.7Low97 Ų9795.7 Ų95.742%0.42248%0.475SS..Hα-helixtrans-74.8-35.3171.8-168.4172.3-175.3-179.40113.2N606 E607 Q608 Q613 N614N606-K610 WeakPolarHBondContact O-CB 3.49Å; N606-K610 PolarHBondContact O-N 3.49Å; E607-K610 PolarHBondContact O-N 3.45Å; Q608-K610 PolarHBondContact O-N 2.85Å; K610-Q613 PolarHBondContact O-N 2.83Å; K610-N614 PolarHBondContact O-N 3.49Å; K610-N614 PolarHBondContact O-OD1 3.47Å
611I71.2Confident69.2Low90 Ų9092.8 Ų92.846%0.46247%0.465SS..Hα-helixtrans-65.2-44.4171.9-72.3163.2000110.1E607 Q608 N614 K615E607-I611 WeakPolarHBondContact O-CB 3.44Å; E607-I611 VanDerWaalsContact O-CG1 3.27Å; E607-I611 WeakPolarHBondContact O-CG1 3.4Å; E607-I611 PolarHBondContact O-N 2.81Å; Q608-I611 WeakPolarHBondContact O-CB 3.47Å; Q608-I611 PolarHBondContact O-N 3.45Å; Q608-I611 VanDerWaalsContact O-N 3.11Å; I611-N614 PolarHBondContact O-N 3.2Å; I611-K615 WeakPolarHBondContact O-CG 3.26Å; I611-K615 PolarHBondContact O-N 3.44Å
612E62.8Low68.7Low74 Ų7493.1 Ų93.135%0.34647%0.467SS..Hα-helixtrans-70.2-33.4174.9-64.5-57.1121.300112.3Q608 K615 L616Q608-E612 PolarHBondContact O-N 2.83Å; E612-K615 PolarHBondContact O-N 3.24Å; E612-K615 WeakPolarHBondContact OE1-CD 3.12Å; E612-K615 WeakPolarHBondContact OE1-CE 3.46Å; E612-K615 IonicContact OE1-NZ 2.68Å; E612-K615 PolarHBondContact OE1-NZ 3.43Å; E612-L616 VanDerWaalsContact O-CB 3.31Å; E612-L616 WeakPolarHBondContact O-CB 3.33Å; E612-L616 WeakPolarHBondContact O-CG 3.47Å; E612-L616 PolarHBondContact O-N 2.87Å
613Q66.3Low68.4Low109 Ų10993.8 Ų93.851%0.50947%0.47SS..Hα-helixtrans-62.9-40.9169.6-85-179-11.400112.3L609 K610 L616 M617L609-Q613 HydrophobicContact CD2-CG 4.21Å; L609-Q613 VanDerWaalsContact O-CB 3.3Å; L609-Q613 WeakPolarHBondContact O-CB 3.43Å; L609-Q613 VanDerWaalsContact O-CG 3.27Å; L609-Q613 WeakPolarHBondContact O-CG 3.43Å; L609-Q613 PolarHBondContact O-N 3.16Å; K610-Q613 PolarHBondContact O-N 2.83Å; Q613-L616 PolarHBondContact O-N 2.83Å; Q613-M617 WeakPolarHBondContact O-CG 3.44Å; Q613-M617 PolarHBondContact O-N 3.49Å
614N71.8Confident68.1Low91 Ų9193.8 Ų93.849%0.48747%0.47SS..Hα-helixtrans-64-47.2174.2-75.15.6000110.8K610 I611 L616 M617 D618K610-N614 PolarHBondContact O-N 3.49Å; K610-N614 PolarHBondContact O-OD1 3.47Å; I611-N614 PolarHBondContact O-N 3.2Å; N614-L616 VanDerWaalsContact C-N 3.26Å; N614-L616 PolarHBondContact O-N 2.95Å; N614-M617 WeakPolarHBondContact O-CA 3.43Å; N614-M617 WeakPolarHBondContact O-CB 3.44Å; N614-M617 PolarHBondContact O-N 3.27Å; N614-D618 VanDerWaalsContact O-CG 3.25Å; N614-D618 PolarHBondContact O-N 2.72Å
615K70.5Confident68Low101 Ų10195.3 Ų95.344%0.43948%0.477SS..Hα-helixtrans-60-33.7174-68.9173.6-172.7172.40113.3I611 E612 K619I611-K615 WeakPolarHBondContact O-CG 3.26Å; I611-K615 PolarHBondContact O-N 3.44Å; E612-K615 PolarHBondContact O-N 3.24Å; E612-K615 WeakPolarHBondContact OE1-CD 3.12Å; E612-K615 WeakPolarHBondContact OE1-CE 3.46Å; E612-K615 IonicContact OE1-NZ 2.68Å; E612-K615 PolarHBondContact OE1-NZ 3.43Å; K615-K619 WeakPolarHBondContact O-CB 3.47Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.25Å
616L61.8Low67.7Low92 Ų9294.8 Ų94.848%0.48248%0.477SS..Hα-helixtrans-71.8-35.3174.2-82.5165.7000111.8E612 Q613 N614 S620E612-L616 VanDerWaalsContact O-CB 3.31Å; E612-L616 WeakPolarHBondContact O-CB 3.33Å; E612-L616 WeakPolarHBondContact O-CG 3.47Å; E612-L616 PolarHBondContact O-N 2.87Å; Q613-L616 PolarHBondContact O-N 2.83Å; N614-L616 VanDerWaalsContact C-N 3.26Å; N614-L616 PolarHBondContact O-N 2.95Å; L616-S620 WeakPolarHBondContact O-CB 3.46Å; L616-S620 PolarHBondContact O-N 3.31Å
617M65.1Low67.4Low110 Ų11095.5 Ų95.554%0.54248%0.481SS..Hα-helixtrans-64.7-46.1169.6-77-61-49.700111.2Q613 N614 S620 N621Q613-M617 WeakPolarHBondContact O-CG 3.44Å; Q613-M617 PolarHBondContact O-N 3.49Å; N614-M617 WeakPolarHBondContact O-CA 3.43Å; N614-M617 WeakPolarHBondContact O-CB 3.44Å; N614-M617 PolarHBondContact O-N 3.27Å; M617-S620 WeakPolarHBondContact O-CB 3.44Å; M617-S620 PolarHBondContact O-N 2.63Å; M617-S620 VanDerWaalsContact O-N 3.16Å; M617-N621 PolarHBondContact O-N 3.1Å; M617-N621 PolarHBondContact O-ND2 3.44Å
618D66.4Low67.4Low94 Ų9493.3 Ų93.350%0.50347%0.47SS..Hα-helixtrans-59.7-49.6177.5-61.6-31.7000110.8N614 S620 N621 E622N614-D618 VanDerWaalsContact O-CG 3.25Å; N614-D618 PolarHBondContact O-N 2.72Å; D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 3.13Å; D618-N621 WeakPolarHBondContact O-CB 3.45Å; D618-N621 PolarHBondContact O-N 3.39Å; D618-N621 VanDerWaalsContact O-N 3.14Å; D618-E622 PolarHBondContact O-N 2.94Å
619K64Low67.2Low50 Ų5092.7 Ų92.722%0.21747%0.467CS..Hα-helixtrans-65.6-29.8174.3-75-174.7169.7-168.40113.7L545 K615 N621 L623L545-K619 HydrophobicContact CD1-CD 4.2Å; L545-K619 HydrophobicContact CD2-CD 4.19Å; K615-K619 WeakPolarHBondContact O-CB 3.47Å; K615-K619 WeakPolarHBondContact O-CG 3.47Å; K615-K619 PolarHBondContact O-N 3.25Å; K619-N621 VanDerWaalsContact C-N 3.35Å; K619-L623 WeakPolarHBondContact O-CB 3.26Å; K619-L623 PolarHBondContact O-N 2.68Å
620S67.2Low67.1Low52 Ų5291.9 Ų91.936%0.36446%0.463SS..Hα-helixtrans-68.7-36.9172.6-171.70000110.9L616 M617 D618 L623 I624L616-S620 WeakPolarHBondContact O-CB 3.46Å; L616-S620 PolarHBondContact O-N 3.31Å; M617-S620 WeakPolarHBondContact O-CB 3.44Å; M617-S620 PolarHBondContact O-N 2.63Å; M617-S620 VanDerWaalsContact O-N 3.16Å; D618-S620 VanDerWaalsContact C-N 3.32Å; D618-S620 PolarHBondContact O-N 3.13Å; S620-L623 PolarHBondContact O-N 3.03Å; S620-I624 WeakPolarHBondContact O-CB 3.28Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.24Å; S620-I624 PolarHBondContact O-N 3.01Å
621N67.4Low67.2Low64 Ų6492 Ų9234%0.34246%0.464SS..Hα-helixtrans-68.3-41.5174.9-63.4-26.1000110.9M617 D618 K619 I624 I625M617-N621 PolarHBondContact O-N 3.1Å; M617-N621 PolarHBondContact O-ND2 3.44Å; D618-N621 WeakPolarHBondContact O-CB 3.45Å; D618-N621 PolarHBondContact O-N 3.39Å; D618-N621 VanDerWaalsContact O-N 3.14Å; K619-N621 VanDerWaalsContact C-N 3.35Å; N621-I624 PolarHBondContact O-N 2.78Å; N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 2.84Å
622E64.5Low67.3Low122 Ų12293.3 Ų93.357%0.5747%0.468SS*.Hα-helixtrans-58.6-45.8170.9-69.3176.816100111.9D618 I624 I625 V626D618-E622 PolarHBondContact O-N 2.94Å; E622-I624 VanDerWaalsContact C-N 3.34Å; E622-I624 PolarHBondContact O-N 3.48Å; E622-I625 PolarHBondContact O-N 3.49Å; E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.86Å
623L63.2Low67.1Low119 Ų11995 Ų9562%0.62348%0.479SS*.Hα-helixtrans-64.2-34.8176-91.3165.7000113.3K619 S620 N627K619-L623 WeakPolarHBondContact O-CB 3.26Å; K619-L623 PolarHBondContact O-N 2.68Å; S620-L623 PolarHBondContact O-N 3.03Å; L623-N627 WeakPolarHBondContact O-CB 3.47Å; L623-N627 PolarHBondContact O-N 3.45Å
624I68.4Low67.2Low96 Ų9696.2 Ų96.249%0.49248%0.483SS..Hα-helixtrans-65.6-42.8174.2-73162.4000110.5S620 N621 E622 N627 E628S620-I624 WeakPolarHBondContact O-CB 3.28Å; S620-I624 WeakPolarHBondContact O-CD1 3.42Å; S620-I624 WeakPolarHBondContact O-CG1 3.24Å; S620-I624 PolarHBondContact O-N 3.01Å; N621-I624 PolarHBondContact O-N 2.78Å; E622-I624 VanDerWaalsContact C-N 3.34Å; E622-I624 PolarHBondContact O-N 3.48Å; I624-N627 PolarHBondContact O-N 2.74Å; I624-E628 WeakPolarHBondContact O-CB 3.4Å; I624-E628 PolarHBondContact O-N 2.83Å
625I69.5Low67.2Low101 Ų10196.6 Ų96.652%0.51848%0.481SS..Hα-helixtrans-61.1-53.8175.4-67.3163.4000110.3N621 E622 N627 E628 E629N621-I625 WeakPolarHBondContact O-CG1 3.24Å; N621-I625 PolarHBondContact O-N 2.84Å; E622-I625 PolarHBondContact O-N 3.49Å; I625-N627 VanDerWaalsContact C-N 3.3Å; I625-N627 PolarHBondContact O-N 2.96Å; I625-E628 PolarHBondContact O-N 3.38Å; I625-E628 VanDerWaalsContact O-N 3.13Å; I625-E629 PolarHBondContact O-N 3.34Å
626V66.5Low67.3Low77 Ų7798 Ų9847%0.46749%0.488SS..Hα-helixtrans-60-38.8-179.3172.10000111.8E622 E629 L630E622-V626 WeakPolarHBondContact O-CG2 3.49Å; E622-V626 PolarHBondContact O-N 2.86Å; V626-E629 PolarHBondContact O-N 3.07Å; V626-L630 WeakPolarHBondContact O-CB 3.02Å; V626-L630 PolarHBondContact O-N 3.35Å
627N67.6Low67.3Low113 Ų11399.8 Ų99.860%0.60450%0.495SS*.Hα-helixtrans-70.6-33.6178.4-167.332.5000112.5L623 I624 I625 L630 K631L623-N627 WeakPolarHBondContact O-CB 3.47Å; L623-N627 PolarHBondContact O-N 3.45Å; I624-N627 PolarHBondContact O-N 2.74Å; I625-N627 VanDerWaalsContact C-N 3.3Å; I625-N627 PolarHBondContact O-N 2.96Å; N627-L630 PolarHBondContact O-N 3.38Å; N627-K631 VanDerWaalsContact O-CB 3.29Å; N627-K631 WeakPolarHBondContact O-CB 3.21Å; N627-K631 PolarHBondContact O-N 3.14Å
628E72.4Confident67.7Low79 Ų7998.1 Ų98.137%0.36949%0.494SS..Hα-helixtrans-72.6-34.7173.9-170.358.5-146.700112I624 I625 K631 Q632I624-E628 WeakPolarHBondContact O-CB 3.4Å; I624-E628 PolarHBondContact O-N 2.83Å; I625-E628 PolarHBondContact O-N 3.38Å; I625-E628 VanDerWaalsContact O-N 3.13Å; E628-K631 PolarHBondContact O-N 3.06Å; E628-K631 IonicContact OE1-NZ 2.7Å; E628-K631 PolarHBondContact OE1-NZ 3.36Å; E628-K631 IonicContact OE2-NZ 2.88Å; E628-K631 PolarHBondContact OE2-NZ 3.26Å; E628-Q632 WeakPolarHBondContact O-CG 3.25Å; E628-Q632 PolarHBondContact O-N 3.46Å
629E64.6Low68.1Low118 Ų11899.1 Ų99.155%0.55149%0.494SS*.Hα-helixtrans-62.9-45.5168.7-71-178.9165.600111.6I625 V626 K631 Q632 L633I625-E629 PolarHBondContact O-N 3.34Å; V626-E629 PolarHBondContact O-N 3.07Å; E629-K631 PolarHBondContact O-N 3.48Å; E629-Q632 PolarHBondContact O-N 2.87Å; E629-L633 PolarHBondContact O-N 3.09Å
630L65.1Low68.3Low81 Ų81101 Ų10142%0.42451%0.505SS..Hα-helixtrans-62.3-32.7175.8-126.1167.6000112.2V626 N627 K634V626-L630 WeakPolarHBondContact O-CB 3.02Å; V626-L630 PolarHBondContact O-N 3.35Å; N627-L630 PolarHBondContact O-N 3.38Å; L630-K634 WeakPolarHBondContact O-CG 3.44Å; L630-K634 PolarHBondContact O-N 3.21Å
631K75.4Confident68.3Low98 Ų98105.7 Ų105.743%0.42652%0.521SS..Hα-helixtrans-71.6-42.6173.8170.5163156.3-88.50112N627 E628 E629 L633 K634 E635N627-K631 VanDerWaalsContact O-CB 3.29Å; N627-K631 WeakPolarHBondContact O-CB 3.21Å; N627-K631 PolarHBondContact O-N 3.14Å; E628-K631 PolarHBondContact O-N 3.06Å; E628-K631 IonicContact OE1-NZ 2.7Å; E628-K631 PolarHBondContact OE1-NZ 3.36Å; E628-K631 IonicContact OE2-NZ 2.88Å; E628-K631 PolarHBondContact OE2-NZ 3.26Å; E629-K631 PolarHBondContact O-N 3.48Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 2.88Å; K631-K634 PolarHBondContact O-N 3.07Å; K631-E635 PolarHBondContact O-N 3.42Å
632Q72.6Confident68.7Low119 Ų119107.6 Ų107.656%0.55653%0.531SS*.Hα-helixtrans-61.4-41171.6-73.2175.855.400111.7E628 E629 K634 E635 F636E628-Q632 WeakPolarHBondContact O-CG 3.25Å; E628-Q632 PolarHBondContact O-N 3.46Å; E629-Q632 PolarHBondContact O-N 2.87Å; Q632-K634 PolarHBondContact O-N 3Å; Q632-E635 PolarHBondContact O-N 3.03Å; Q632-F636 WeakPolarHBondContact O-CB 3.42Å; Q632-F636 PolarHBondContact O-N 3.48Å
633L58.9Low68.9Low110 Ų110106.3 Ų106.358%0.57653%0.528SS*.Hα-helixtrans-63.5-39.8175.9-158.278000111.9E629 K631 F636 M637E629-L633 PolarHBondContact O-N 3.09Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 2.88Å; L633-F636 PolarHBondContact O-N 2.77Å; L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 WeakPolarHBondContact O-CG 3.44Å; L633-M637 PolarHBondContact O-N 2.75Å
634K68.9Low68.9Low134 Ų134108 Ų10858%0.58353%0.527SS*.Hα-helixtrans-67.4-37.8173.8-77.7173.1178.8173.20113L630 K631 Q632 S638L630-K634 WeakPolarHBondContact O-CG 3.44Å; L630-K634 PolarHBondContact O-N 3.21Å; K631-K634 PolarHBondContact O-N 3.07Å; Q632-K634 PolarHBondContact O-N 3Å; K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.03Å; K634-S638 PolarHBondContact O-OG 2.87Å
635E70.8Confident68.7Low99 Ų99108.1 Ų108.146%0.46353%0.526SS..Hα-helixtrans-64.3-40.7170.7-87.9-159-158.200112.1K631 Q632 S638 K639K631-E635 PolarHBondContact O-N 3.42Å; Q632-E635 PolarHBondContact O-N 3.03Å; E635-S638 PolarHBondContact O-N 2.69Å; E635-K639 WeakPolarHBondContact O-CB 3.33Å; E635-K639 WeakPolarHBondContact O-CD 3.42Å; E635-K639 VanDerWaalsContact O-CG 3.29Å; E635-K639 WeakPolarHBondContact O-CG 3.32Å; E635-K639 PolarHBondContact O-N 3.5Å; E635-K639 IonicContact OE2-NZ 3.86Å; E635-K639 PolarHBondContact OE2-NZ 3.06Å
636F72.8Confident69Low129 Ų129106.8 Ų106.857%0.56652%0.519SS*.Hα-helixtrans-64.5-46.8177.3-177.2-99.6000111.7Q632 L633 S638 K639 M640Q632-F636 WeakPolarHBondContact O-CB 3.42Å; Q632-F636 PolarHBondContact O-N 3.48Å; L633-F636 PolarHBondContact O-N 2.77Å; F636-S638 VanDerWaalsContact C-N 3.31Å; F636-S638 PolarHBondContact O-N 3.1Å; F636-K639 PolarHBondContact O-N 2.83Å; F636-M640 HydrophobicContact CD1-CG 4.23Å; F636-M640 HydrophobicContact CE1-CG 3.79Å; F636-M640 HydrophobicContact CE2-CG 4.5Å; F636-M640 HydrophobicContact CZ-CG 3.94Å; F636-M640 HydrophobicContact CZ-SD 4.27Å; F636-M640 WeakPolarHBondContact O-CB 3.39Å; F636-M640 WeakPolarHBondContact O-CG 3.22Å; F636-M640 PolarHBondContact O-N 2.9Å
637M62.8Low69Low131 Ų131108.1 Ų108.165%0.64552%0.52SS*.Hα-helixtrans-54.6-45.5171.4-72.7-92.8-73.200111.8L633 K639 M640 Q641L633-M637 WeakPolarHBondContact O-CB 3.37Å; L633-M637 WeakPolarHBondContact O-CG 3.44Å; L633-M637 PolarHBondContact O-N 2.75Å; M637-K639 PolarHBondContact O-N 3Å; M637-M640 PolarHBondContact O-N 2.85Å; M637-Q641 WeakPolarHBondContact O-CB 3.37Å; M637-Q641 PolarHBondContact O-N 3.49Å
638S72.1Confident69Low75 Ų75107.8 Ų107.852%0.52452%0.518SS..Hα-helixtrans-65.5-39179.3-56.20000112.2K634 E635 F636 N642K634-S638 WeakPolarHBondContact O-CB 3.19Å; K634-S638 PolarHBondContact O-N 3.03Å; K634-S638 PolarHBondContact O-OG 2.87Å; E635-S638 PolarHBondContact O-N 2.69Å; F636-S638 VanDerWaalsContact C-N 3.31Å; F636-S638 PolarHBondContact O-N 3.1Å; S638-N642 VanDerWaalsContact O-CB 3.32Å; S638-N642 WeakPolarHBondContact O-CB 3.49Å; S638-N642 PolarHBondContact O-N 2.97Å
639K74.8Confident69Low115 Ų115107.9 Ų107.950%0.552%0.521SS..Hα-helixtrans-67-44.7175.1-72.4162-170.21600111.3E635 F636 M637 Q641 N642 N643E635-K639 WeakPolarHBondContact O-CB 3.33Å; E635-K639 WeakPolarHBondContact O-CD 3.42Å; E635-K639 VanDerWaalsContact O-CG 3.29Å; E635-K639 WeakPolarHBondContact O-CG 3.32Å; E635-K639 PolarHBondContact O-N 3.5Å; E635-K639 IonicContact OE2-NZ 3.86Å; E635-K639 PolarHBondContact OE2-NZ 3.06Å; F636-K639 PolarHBondContact O-N 2.83Å; M637-K639 PolarHBondContact O-N 3Å; K639-Q641 PolarHBondContact O-N 3.45Å; K639-N642 PolarHBondContact O-N 2.77Å; K639-N643 WeakPolarHBondContact O-CB 3.41Å; K639-N643 PolarHBondContact O-N 3.46Å; K639-N643 PolarHBondContact O-OD1 3.17Å
640M69.1Low69.3Low89 Ų89108.3 Ų108.344%0.43852%0.523SS..Hα-helixtrans-57.4-48173.9-80.6-71.7-68.800112.1F636 M637 N642 N643 Y644F636-M640 HydrophobicContact CD1-CG 4.23Å; F636-M640 HydrophobicContact CE1-CG 3.79Å; F636-M640 HydrophobicContact CE2-CG 4.5Å; F636-M640 HydrophobicContact CZ-CG 3.94Å; F636-M640 HydrophobicContact CZ-SD 4.27Å; F636-M640 WeakPolarHBondContact O-CB 3.39Å; F636-M640 WeakPolarHBondContact O-CG 3.22Å; F636-M640 PolarHBondContact O-N 2.9Å; M637-M640 PolarHBondContact O-N 2.85Å; M640-N642 PolarHBondContact O-N 3.39Å; M640-N643 PolarHBondContact O-N 3.45Å; M640-Y644 HydrophobicContact CE-CE2 4.48Å; M640-Y644 PolarHBondContact O-N 2.64Å
641Q67.5Low69.4Low151 Ų151110.3 Ų110.371%0.70653%0.53SS*.Hα-helixtrans-66-37.6179.6-172.6173.90.500112.2M637 K639 Q645M637-Q641 WeakPolarHBondContact O-CB 3.37Å; M637-Q641 PolarHBondContact O-N 3.49Å; K639-Q641 PolarHBondContact O-N 3.45Å; Q641-Q645 PolarHBondContact O-N 2.82Å
642N74.7Confident69.2Low103 Ų103108.3 Ų108.355%0.55153%0.528SS*.Hα-helixtrans-71.4-38.1177.7-154.537.9000111.9S638 K639 M640 Q645 I646S638-N642 VanDerWaalsContact O-CB 3.32Å; S638-N642 WeakPolarHBondContact O-CB 3.49Å; S638-N642 PolarHBondContact O-N 2.97Å; K639-N642 PolarHBondContact O-N 2.77Å; M640-N642 PolarHBondContact O-N 3.39Å; N642-Q645 PolarHBondContact O-N 2.81Å; N642-I646 VanDerWaalsContact O-CG1 3.3Å; N642-I646 WeakPolarHBondContact O-CG1 3.4Å; N642-I646 PolarHBondContact O-N 2.77Å
643N70.2Confident69.2Low96 Ų96109.5 Ų109.551%0.51353%0.534SS..Hα-helixtrans-61.8-47.5172.5-76.115000111.5K639 M640 Q645 I646 E647K639-N643 WeakPolarHBondContact O-CB 3.41Å; K639-N643 PolarHBondContact O-N 3.46Å; K639-N643 PolarHBondContact O-OD1 3.17Å; M640-N643 PolarHBondContact O-N 3.45Å; N643-Q645 VanDerWaalsContact C-N 3.26Å; N643-Q645 PolarHBondContact O-N 3.27Å; N643-I646 WeakPolarHBondContact O-CA 3.49Å; N643-I646 WeakPolarHBondContact O-CB 3.03Å; N643-I646 PolarHBondContact O-N 2.85Å; N643-E647 PolarHBondContact O-N 2.69Å
644Y62.1Low69.8Low154 Ų154110.2 Ų110.260%0.60454%0.535SS*.Hα-helixtrans-57.9-39.1174.9-106.5-81.8000112.3M640 I646 L648M640-Y644 HydrophobicContact CE-CE2 4.48Å; M640-Y644 PolarHBondContact O-N 2.64Å; Y644-I646 VanDerWaalsContact C-N 3.34Å; Y644-L648 VanDerWaalsContact O-CB 3.3Å; Y644-L648 WeakPolarHBondContact O-CB 3.26Å; Y644-L648 PolarHBondContact O-N 3.29Å
645Q65.2Low69.8Low99 Ų99108.7 Ų108.746%0.46353%0.531SS..Hα-helixtrans-69.8-30.4176.4-170.66174.400112.7Q641 N642 N643 N649Q641-Q645 PolarHBondContact O-N 2.82Å; N642-Q645 PolarHBondContact O-N 2.81Å; N643-Q645 VanDerWaalsContact C-N 3.26Å; N643-Q645 PolarHBondContact O-N 3.27Å; Q645-N649 PolarHBondContact NE2-OD1 2.64Å; Q645-N649 WeakPolarHBondContact O-CB 3.46Å; Q645-N649 PolarHBondContact O-N 2.82Å; Q645-N649 VanDerWaalsContact O-N 3.12Å; Q645-N649 PolarHBondContact O-ND2 2.92Å; Q645-N649 PolarHBondContact O-OD1 2.66Å
646I75.5Confident69.9Low72 Ų72110 Ų11037%0.36954%0.538SS..Hα-helixtrans-69.2-51.4173.1-70.4161.5000110.1N642 N643 Y644 L648 N649 E650N642-I646 VanDerWaalsContact O-CG1 3.3Å; N642-I646 WeakPolarHBondContact O-CG1 3.4Å; N642-I646 PolarHBondContact O-N 2.77Å; N643-I646 WeakPolarHBondContact O-CA 3.49Å; N643-I646 WeakPolarHBondContact O-CB 3.03Å; N643-I646 PolarHBondContact O-N 2.85Å; Y644-I646 VanDerWaalsContact C-N 3.34Å; I646-L648 VanDerWaalsContact C-N 3.29Å; I646-L648 PolarHBondContact O-N 3.05Å; I646-N649 WeakPolarHBondContact O-CB 3.44Å; I646-N649 PolarHBondContact O-N 2.76Å; I646-E650 HydrophobicContact CG2-CG 4.28Å; I646-E650 WeakPolarHBondContact O-CG 3.38Å; I646-E650 PolarHBondContact O-N 2.95Å
647E65.7Low70.1Confident106 Ų106106.9 Ų106.950%0.49553%0.532SS..Hα-helixtrans-57.8-40.7178-70.3179.1151.200112.1N643 N649 E650 Q651N643-E647 PolarHBondContact O-N 2.69Å; E647-N649 VanDerWaalsContact C-N 3.34Å; E647-N649 PolarHBondContact O-N 2.74Å; E647-E650 PolarHBondContact O-N 3.33Å; E647-Q651 WeakPolarHBondContact O-CB 3.32Å; E647-Q651 WeakPolarHBondContact O-CG 3.43Å; E647-Q651 PolarHBondContact O-N 3.48Å
648L67Low70.4Confident106 Ų106105.7 Ų105.756%0.55553%0.528SS*.Hα-helixtrans-70-31.2178.4-147.5160000112Y644 I646 S652Y644-L648 VanDerWaalsContact O-CB 3.3Å; Y644-L648 WeakPolarHBondContact O-CB 3.26Å; Y644-L648 PolarHBondContact O-N 3.29Å; I646-L648 VanDerWaalsContact C-N 3.29Å; I646-L648 PolarHBondContact O-N 3.05Å; L648-S652 WeakPolarHBondContact O-CB 3.04Å; L648-S652 PolarHBondContact O-N 2.83Å; L648-S652 VanDerWaalsContact O-N 3.16Å
649N72.6Confident70.4Confident81 Ų81107.7 Ų107.743%0.43353%0.528SS..Hα-helixtrans-72.8-44.7171.8-69.9-5.7000111.6Q645 I646 E647 Q651 S652 E653Q645-N649 PolarHBondContact NE2-OD1 2.64Å; Q645-N649 WeakPolarHBondContact O-CB 3.46Å; Q645-N649 PolarHBondContact O-N 2.82Å; Q645-N649 VanDerWaalsContact O-N 3.12Å; Q645-N649 PolarHBondContact O-ND2 2.92Å; Q645-N649 PolarHBondContact O-OD1 2.66Å; I646-N649 WeakPolarHBondContact O-CB 3.44Å; I646-N649 PolarHBondContact O-N 2.76Å; E647-N649 VanDerWaalsContact C-N 3.34Å; E647-N649 PolarHBondContact O-N 2.74Å; N649-Q651 PolarHBondContact O-N 2.75Å; N649-S652 WeakPolarHBondContact O-CA 3.44Å; N649-S652 VanDerWaalsContact O-CB 3.3Å; N649-S652 WeakPolarHBondContact O-CB 3.03Å; N649-S652 PolarHBondContact O-N 2.79Å; N649-E653 PolarHBondContact O-N 2.93Å
650E71.6Confident70.3Confident126 Ų126108.6 Ų108.659%0.58953%0.534SS*.Hα-helixtrans-61.1-43.4177.8-72.6-179.7177.200111.3I646 E647 S652 E653 E654I646-E650 HydrophobicContact CG2-CG 4.28Å; I646-E650 WeakPolarHBondContact O-CG 3.38Å; I646-E650 PolarHBondContact O-N 2.95Å; E647-E650 PolarHBondContact O-N 3.33Å; E650-S652 VanDerWaalsContact C-N 3.3Å; E650-S652 PolarHBondContact O-N 3.35Å; E650-E653 PolarHBondContact O-N 3.44Å; E650-E654 PolarHBondContact O-N 3.05Å
651Q66.8Low70.5Confident123 Ų123108 Ų10858%0.57554%0.536SS*.Hα-helixtrans-61.8-35.8171-72.7-1808.600112.4E647 N649 I655E647-Q651 WeakPolarHBondContact O-CB 3.32Å; E647-Q651 WeakPolarHBondContact O-CG 3.43Å; E647-Q651 PolarHBondContact O-N 3.48Å; N649-Q651 PolarHBondContact O-N 2.75Å; Q651-I655 WeakPolarHBondContact O-CB 2.99Å; Q651-I655 WeakPolarHBondContact O-CD1 3.49Å; Q651-I655 WeakPolarHBondContact O-CG1 2.95Å; Q651-I655 PolarHBondContact O-N 3.49Å
652S70.5Confident70.7Confident56 Ų56106.3 Ų106.339%0.39253%0.531SS..Hα-helixtrans-67.2-41.2176-159.50000112.3L648 N649 E650 I655 Q656L648-S652 WeakPolarHBondContact O-CB 3.04Å; L648-S652 PolarHBondContact O-N 2.83Å; L648-S652 VanDerWaalsContact O-N 3.16Å; N649-S652 WeakPolarHBondContact O-CA 3.44Å; N649-S652 VanDerWaalsContact O-CB 3.3Å; N649-S652 WeakPolarHBondContact O-CB 3.03Å; N649-S652 PolarHBondContact O-N 2.79Å; E650-S652 VanDerWaalsContact C-N 3.3Å; E650-S652 PolarHBondContact O-N 3.35Å; S652-I655 PolarHBondContact O-N 2.89Å; S652-Q656 WeakPolarHBondContact O-CG 3.32Å; S652-Q656 PolarHBondContact O-N 2.93Å
653E73.8Confident70.7Confident144 Ų144105.7 Ų105.767%0.67353%0.528SS*.Hα-helixtrans-68.2-39.4175.4-70.2-169.8-174.900112.1N649 E650 Q656 S657N649-E653 PolarHBondContact O-N 2.93Å; E650-E653 PolarHBondContact O-N 3.44Å; E653-Q656 PolarHBondContact O-N 3.05Å; E653-S657 WeakPolarHBondContact O-CB 3.48Å; E653-S657 PolarHBondContact O-N 3.47Å
654E71.8Confident70.8Confident126 Ų126104.4 Ų104.459%0.58952%0.524SS*.Hα-helixtrans-64.3-43.1173.5-172.9169.2-14300111.6E650 Q656 S657 L658E650-E654 PolarHBondContact O-N 3.05Å; E654-Q656 PolarHBondContact O-N 2.79Å; E654-S657 WeakPolarHBondContact O-CB 2.91Å; E654-S657 PolarHBondContact O-N 2.9Å; E654-L658 HydrophobicContact CG-CD1 4.06Å; E654-L658 HydrophobicContact CG-CG 4.39Å; E654-L658 WeakPolarHBondContact O-CB 3.27Å; E654-L658 VanDerWaalsContact O-CG 3.3Å; E654-L658 WeakPolarHBondContact O-CG 3.36Å; E654-L658 PolarHBondContact O-N 2.92Å
655I68.2Low71.2Confident101 Ų101101 Ų10152%0.51852%0.519SS..Hα-helixtrans-60.9-42.5174.6-72.7166.4000111.4Q651 S652 L658 Q659Q651-I655 WeakPolarHBondContact O-CB 2.99Å; Q651-I655 WeakPolarHBondContact O-CD1 3.49Å; Q651-I655 WeakPolarHBondContact O-CG1 2.95Å; Q651-I655 PolarHBondContact O-N 3.49Å; S652-I655 PolarHBondContact O-N 2.89Å; I655-L658 PolarHBondContact O-N 3.2Å; I655-Q659 WeakPolarHBondContact O-CB 3.12Å; I655-Q659 PolarHBondContact O-N 2.69Å
656Q73.2Confident71.8Confident128 Ų128101.6 Ų101.660%0.59852%0.52SS*.Hα-helixtrans-64.9-41.3175-75-170.93600112.2S652 E653 E654 Q659 Q660S652-Q656 WeakPolarHBondContact O-CG 3.32Å; S652-Q656 PolarHBondContact O-N 2.93Å; E653-Q656 PolarHBondContact O-N 3.05Å; E654-Q656 PolarHBondContact O-N 2.79Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q656-Q660 WeakPolarHBondContact O-CB 3.32Å; Q656-Q660 PolarHBondContact O-N 3.14Å
657S76.1Confident71.8Confident63 Ų63102.9 Ų102.944%0.44153%0.528SS..Hα-helixtrans-59.8-44.7175.1-177.70000111.7E653 E654 Q660 T661E653-S657 WeakPolarHBondContact O-CB 3.48Å; E653-S657 PolarHBondContact O-N 3.47Å; E654-S657 WeakPolarHBondContact O-CB 2.91Å; E654-S657 PolarHBondContact O-N 2.9Å; S657-Q660 PolarHBondContact O-N 3.4Å; S657-T661 WeakPolarHBondContact O-CB 3.46Å; S657-T661 PolarHBondContact O-N 2.89Å; S657-T661 PolarHBondContact O-OG1 2.96Å
658L70.9Confident72.3Confident106 Ų106103.4 Ų103.456%0.55553%0.53SS*.Hα-helixtrans-66.1-42.5175.5-70.5170.7000111.9E654 I655 T661 L662E654-L658 HydrophobicContact CG-CD1 4.06Å; E654-L658 HydrophobicContact CG-CG 4.39Å; E654-L658 WeakPolarHBondContact O-CB 3.27Å; E654-L658 VanDerWaalsContact O-CG 3.3Å; E654-L658 WeakPolarHBondContact O-CG 3.36Å; E654-L658 PolarHBondContact O-N 2.92Å; I655-L658 PolarHBondContact O-N 3.2Å; L658-T661 PolarHBondContact O-N 3.48Å; L658-L662 VanDerWaalsContact O-CB 3.29Å; L658-L662 WeakPolarHBondContact O-CB 3.49Å; L658-L662 PolarHBondContact O-N 3.24Å
659Q70.5Confident72.5Confident116 Ų116104.8 Ų104.854%0.54253%0.532SS..Hα-helixtrans-63.4-41.5174.3-92.9-175.3-20.600112.7I655 Q656 T661 L662 N663I655-Q659 WeakPolarHBondContact O-CB 3.12Å; I655-Q659 PolarHBondContact O-N 2.69Å; Q656-Q659 PolarHBondContact O-N 3.34Å; Q659-T661 VanDerWaalsContact C-N 3.34Å; Q659-L662 PolarHBondContact O-N 2.86Å; Q659-N663 WeakPolarHBondContact O-CB 3.49Å; Q659-N663 PolarHBondContact O-N 3.25Å; Q659-N663 PolarHBondContact O-ND2 3.21Å
660Q74.1Confident72.2Confident134 Ų134105 Ų10563%0.62653%0.53SS*.Hα-helixtrans-67.7-37.1177.6-166.6173.383.100111.3Q656 S657 T664Q656-Q660 WeakPolarHBondContact O-CB 3.32Å; Q656-Q660 PolarHBondContact O-N 3.14Å; S657-Q660 PolarHBondContact O-N 3.4Å; Q660-T664 WeakPolarHBondContact O-CB 3.49Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 PolarHBondContact O-OG1 3.45Å
661T73.1Confident72.3Confident78 Ų78101.8 Ų101.848%0.47952%0.522SS..Hα-helixtrans-66.1-42.6172.7-590000111.9S657 L658 Q659 T664 T665S657-T661 WeakPolarHBondContact O-CB 3.46Å; S657-T661 PolarHBondContact O-N 2.89Å; S657-T661 PolarHBondContact O-OG1 2.96Å; L658-T661 PolarHBondContact O-N 3.48Å; Q659-T661 VanDerWaalsContact C-N 3.34Å; T661-T664 PolarHBondContact O-N 3.3Å; T661-T665 WeakPolarHBondContact O-CB 2.94Å; T661-T665 PolarHBondContact O-N 2.83Å; T661-T665 PolarHBondContact O-OG1 2.83Å
662L72.2Confident72.5Confident115 Ų115101.2 Ų101.260%0.60252%0.521SS*.Hα-helixtrans-62.8-48.1176.5-179.364.3000111.3L658 Q659 T664 T665 K666L658-L662 VanDerWaalsContact O-CB 3.29Å; L658-L662 WeakPolarHBondContact O-CB 3.49Å; L658-L662 PolarHBondContact O-N 3.24Å; Q659-L662 PolarHBondContact O-N 2.86Å; L662-T664 PolarHBondContact O-N 3.48Å; L662-T665 PolarHBondContact O-N 2.97Å; L662-K666 WeakPolarHBondContact O-CB 3.34Å; L662-K666 PolarHBondContact O-N 3.34Å
663N73.1Confident72.5Confident90 Ų90103 Ų10348%0.48152%0.524SS..Hα-helixtrans-62-41.8176.2-74.7-30000111.9Q659 T665 K666 N667Q659-N663 WeakPolarHBondContact O-CB 3.49Å; Q659-N663 PolarHBondContact O-N 3.25Å; Q659-N663 PolarHBondContact O-ND2 3.21Å; N663-T665 VanDerWaalsContact C-N 3.33Å; N663-T665 PolarHBondContact O-N 3.06Å; N663-K666 PolarHBondContact O-N 3.18Å; N663-N667 WeakPolarHBondContact O-CB 3.38Å; N663-N667 PolarHBondContact O-N 3.42Å; N663-N667 PolarHBondContact O-OD1 3.3Å
664T73.7Confident72.4Confident69 Ų6999.7 Ų99.742%0.42351%0.513SS..Hα-helixtrans-63-41.1175.9-570000111.5Q660 T661 L662 Q668Q660-T664 WeakPolarHBondContact O-CB 3.49Å; Q660-T664 PolarHBondContact O-N 3.43Å; Q660-T664 PolarHBondContact O-OG1 3.45Å; T661-T664 PolarHBondContact O-N 3.3Å; L662-T664 PolarHBondContact O-N 3.48Å; T664-Q668 WeakPolarHBondContact O-CG 3.45Å; T664-Q668 PolarHBondContact O-N 3.2Å
665T70.7Confident72.5Confident81 Ų8199.9 Ų99.950%0.49751%0.514SS..Hα-helixtrans-68.4-41.3177.6-55.20000111.7T661 L662 N663 Q668 F669T661-T665 WeakPolarHBondContact O-CB 2.94Å; T661-T665 PolarHBondContact O-N 2.83Å; T661-T665 PolarHBondContact O-OG1 2.83Å; L662-T665 PolarHBondContact O-N 2.97Å; N663-T665 VanDerWaalsContact C-N 3.33Å; N663-T665 PolarHBondContact O-N 3.06Å; T665-Q668 PolarHBondContact O-N 3.28Å; T665-F669 PolarHBondContact O-N 2.67Å
666K77.4Confident72.5Confident113 Ų113101 Ų10149%0.49152%0.515SS..Hα-helixtrans-59.9-49.4174178.7178.6169.7-179.50111.3L662 N663 Q668 F669 E670L662-K666 WeakPolarHBondContact O-CB 3.34Å; L662-K666 PolarHBondContact O-N 3.34Å; N663-K666 PolarHBondContact O-N 3.18Å; K666-Q668 VanDerWaalsContact C-N 3.28Å; K666-Q668 PolarHBondContact O-N 2.93Å; K666-F669 WeakPolarHBondContact O-CB 3.46Å; K666-F669 PolarHBondContact O-N 2.85Å; K666-E670 WeakPolarHBondContact CE-OE1 3.23Å; K666-E670 HydrophobicContact CG-CG 4.46Å; K666-E670 IonicContact NZ-OE1 3.78Å; K666-E670 PolarHBondContact O-N 2.93Å
667N75.8Confident72.3Confident98 Ų9898.3 Ų98.352%0.52451%0.505SS..Hα-helixtrans-63.4-33.7178.9-65.71.1000112.1N663 S671N663-N667 WeakPolarHBondContact O-CB 3.38Å; N663-N667 PolarHBondContact O-N 3.42Å; N663-N667 PolarHBondContact O-OD1 3.3Å; N667-S671 VanDerWaalsContact O-CB 3.26Å; N667-S671 WeakPolarHBondContact O-CB 3.33Å; N667-S671 PolarHBondContact O-N 3.39Å
668Q74.8Confident72.2Confident117 Ų11799.7 Ų99.755%0.54751%0.507SS..Hα-helixtrans-67.1-41.8171.1-73.8178.325.500112.1T664 T665 K666 S671 I672T664-Q668 WeakPolarHBondContact O-CG 3.45Å; T664-Q668 PolarHBondContact O-N 3.2Å; T665-Q668 PolarHBondContact O-N 3.28Å; K666-Q668 VanDerWaalsContact C-N 3.28Å; K666-Q668 PolarHBondContact O-N 2.93Å; Q668-S671 PolarHBondContact O-N 2.88Å; Q668-I672 VanDerWaalsContact O-CG1 3.28Å; Q668-I672 WeakPolarHBondContact O-CG1 3.43Å; Q668-I672 PolarHBondContact O-N 2.82Å
669F70.7Confident72.5Confident135 Ų13599.4 Ų99.459%0.59250%0.501SS*.Hα-helixtrans-64-47.9176.2-173.8-90.3000111.8T665 K666 S671 I672 Q673T665-F669 PolarHBondContact O-N 2.67Å; K666-F669 WeakPolarHBondContact O-CB 3.46Å; K666-F669 PolarHBondContact O-N 2.85Å; F669-S671 VanDerWaalsContact C-N 3.29Å; F669-S671 PolarHBondContact O-N 3.24Å; F669-I672 PolarHBondContact O-N 2.88Å; F669-I672 VanDerWaalsContact O-N 3.16Å; F669-Q673 WeakPolarHBondContact O-CB 3.46Å; F669-Q673 PolarHBondContact O-N 3.21Å
670E67.9Low72.2Confident86 Ų8696.5 Ų96.540%0.40249%0.493SS..Hα-helixtrans-61.2-36.8176.6-71.1177.3173.500111.9K666 T674K666-E670 WeakPolarHBondContact CE-OE1 3.23Å; K666-E670 HydrophobicContact CG-CG 4.46Å; K666-E670 IonicContact NZ-OE1 3.78Å; K666-E670 PolarHBondContact O-N 2.93Å; E670-T674 VanDerWaalsContact O-CB 3.29Å; E670-T674 WeakPolarHBondContact O-CB 3.46Å; E670-T674 PolarHBondContact O-N 3.34Å; E670-T674 PolarHBondContact O-OG1 2.95Å
671S72.3Confident71.8Confident59 Ų5995.4 Ų95.441%0.41349%0.488SS..Hα-helixtrans-66.3-42.5173.3-175.50000112.7N667 Q668 F669 T674 Q675N667-S671 VanDerWaalsContact O-CB 3.26Å; N667-S671 WeakPolarHBondContact O-CB 3.33Å; N667-S671 PolarHBondContact O-N 3.39Å; Q668-S671 PolarHBondContact O-N 2.88Å; F669-S671 VanDerWaalsContact C-N 3.29Å; F669-S671 PolarHBondContact O-N 3.24Å; S671-T674 PolarHBondContact O-N 2.92Å; S671-Q675 WeakPolarHBondContact O-CB 3.4Å; S671-Q675 VanDerWaalsContact O-CG 3.31Å; S671-Q675 WeakPolarHBondContact O-CG 3.5Å; S671-Q675 PolarHBondContact O-N 3.42Å; S671-Q675 PolarHBondContact OG-NE2 3.38Å
672I72.9Confident71.8Confident110 Ų11095.1 Ų95.156%0.56449%0.489SS*.Hα-helixtrans-66.2-43.5175.4-70.1165.5000110.7Q668 F669 Q675 F676Q668-I672 VanDerWaalsContact O-CG1 3.28Å; Q668-I672 WeakPolarHBondContact O-CG1 3.43Å; Q668-I672 PolarHBondContact O-N 2.82Å; F669-I672 PolarHBondContact O-N 2.88Å; F669-I672 VanDerWaalsContact O-N 3.16Å; I672-Q675 PolarHBondContact O-N 3.38Å; I672-F676 WeakPolarHBondContact O-CB 3.33Å; I672-F676 PolarHBondContact O-N 2.96Å
673Q69.4Low71.7Confident94 Ų9493.3 Ų93.344%0.43948%0.478SS..Hα-helixtrans-60.6-45.5175.8-177.4178-2.100111F669 F676 I677F669-Q673 WeakPolarHBondContact O-CB 3.46Å; F669-Q673 PolarHBondContact O-N 3.21Å; Q673-F676 PolarHBondContact O-N 3.43Å; Q673-I677 HydrophobicContact CG-CD1 3.89Å; Q673-I677 WeakPolarHBondContact O-CB 3.28Å; Q673-I677 VanDerWaalsContact O-CG1 3.31Å; Q673-I677 WeakPolarHBondContact O-CG1 3.38Å; Q673-I677 PolarHBondContact O-N 3.45Å
674T71Confident71.4Confident74 Ų7491.8 Ų91.845%0.45447%0.474SS..Hα-helixtrans-64-41.8176.5-56.30000111.6E670 S671 F676 I677 N678E670-T674 VanDerWaalsContact O-CB 3.29Å; E670-T674 WeakPolarHBondContact O-CB 3.46Å; E670-T674 PolarHBondContact O-N 3.34Å; E670-T674 PolarHBondContact O-OG1 2.95Å; S671-T674 PolarHBondContact O-N 2.92Å; T674-F676 VanDerWaalsContact C-N 3.33Å; T674-F676 PolarHBondContact O-N 3.31Å; T674-I677 PolarHBondContact O-N 3.21Å; T674-N678 VanDerWaalsContact O-CB 3.29Å; T674-N678 WeakPolarHBondContact O-CB 3.27Å; T674-N678 PolarHBondContact O-N 2.8Å; T674-N678 PolarHBondContact O-ND2 2.87Å; T674-N678 PolarHBondContact O-OD1 3.47Å
675Q74.2Confident71.4Confident130 Ų13092.9 Ų92.961%0.60748%0.481SS*.Hα-helixtrans-64.8-36.2174.5-74.4176.540.200112.6S671 I672 K679S671-Q675 WeakPolarHBondContact O-CB 3.4Å; S671-Q675 VanDerWaalsContact O-CG 3.31Å; S671-Q675 WeakPolarHBondContact O-CG 3.5Å; S671-Q675 PolarHBondContact O-N 3.42Å; S671-Q675 PolarHBondContact OG-NE2 3.38Å; I672-Q675 PolarHBondContact O-N 3.38Å; Q675-K679 VanDerWaalsContact O-CB 3.24Å; Q675-K679 WeakPolarHBondContact O-CB 3.25Å; Q675-K679 PolarHBondContact O-N 3.5Å; Q675-K679 VanDerWaalsContact O-N 3.11Å
676F68.4Low71.5Confident124 Ų12492.1 Ų92.154%0.54448%0.478SS..Hα-helixtrans-68.9-47.8175.9-172.1-95.8000111.5I672 Q673 T674 K679 C680I672-F676 WeakPolarHBondContact O-CB 3.33Å; I672-F676 PolarHBondContact O-N 2.96Å; Q673-F676 PolarHBondContact O-N 3.43Å; T674-F676 VanDerWaalsContact C-N 3.33Å; T674-F676 PolarHBondContact O-N 3.31Å; F676-K679 PolarHBondContact O-N 2.77Å; F676-C680 VanDerWaalsContact CE1-SG 3.6Å; F676-C680 WeakPolarHBondContact O-CB 3.39Å; F676-C680 PolarHBondContact O-N 3.49Å; F676-C680 PolarHBondContact O-SG 3.28Å; F676-C680 VanDerWaalsContact O-SG 3.4Å
677I69.9Low71.1Confident73 Ų7390.6 Ų90.637%0.37447%0.473SS..Hα-helixtrans-58.7-55176-69.5167.9000110.4Q673 T674 K679 C680 E681Q673-I677 HydrophobicContact CG-CD1 3.89Å; Q673-I677 WeakPolarHBondContact O-CB 3.28Å; Q673-I677 VanDerWaalsContact O-CG1 3.31Å; Q673-I677 WeakPolarHBondContact O-CG1 3.38Å; Q673-I677 PolarHBondContact O-N 3.45Å; T674-I677 PolarHBondContact O-N 3.21Å; I677-K679 PolarHBondContact O-N 2.89Å; I677-K679 VanDerWaalsContact O-N 3.12Å; I677-C680 PolarHBondContact O-N 3.33Å; I677-E681 HydrophobicContact CG2-CG 4.26Å; I677-E681 WeakPolarHBondContact O-CB 3.23Å; I677-E681 WeakPolarHBondContact O-CG 3.08Å; I677-E681 PolarHBondContact O-N 3.21Å
678N73.8Confident70.9Confident91 Ų9190.5 Ų90.549%0.48747%0.472SS..Hα-helixtrans-56.1-34.8178.9-69.3-6.2000112.3T674 S682T674-N678 VanDerWaalsContact O-CB 3.29Å; T674-N678 WeakPolarHBondContact O-CB 3.27Å; T674-N678 PolarHBondContact O-N 2.8Å; T674-N678 PolarHBondContact O-ND2 2.87Å; T674-N678 PolarHBondContact O-OD1 3.47Å; N678-S682 WeakPolarHBondContact O-CB 3.21Å; N678-S682 PolarHBondContact O-N 3.28Å; N678-S682 PolarHBondContact O-OG 3.34Å
679K76.3Confident70.9Confident100 Ų10088.3 Ų88.344%0.43547%0.467SS..Hα-helixtrans-70.4-50.5175.4-176.3-179.4170.9-171.30111.4Q675 F676 I677 E681 S682 E683Q675-K679 VanDerWaalsContact O-CB 3.24Å; Q675-K679 WeakPolarHBondContact O-CB 3.25Å; Q675-K679 PolarHBondContact O-N 3.5Å; Q675-K679 VanDerWaalsContact O-N 3.11Å; F676-K679 PolarHBondContact O-N 2.77Å; I677-K679 PolarHBondContact O-N 2.89Å; I677-K679 VanDerWaalsContact O-N 3.12Å; K679-E681 VanDerWaalsContact C-N 3.27Å; K679-E681 PolarHBondContact O-N 2.97Å; K679-S682 PolarHBondContact O-N 2.92Å; K679-S682 VanDerWaalsContact O-N 3.09Å; K679-S682 PolarHBondContact O-OG 2.87Å; K679-E683 WeakPolarHBondContact CE-OE1 3.48Å; K679-E683 IonicContact NZ-OE1 2.76Å; K679-E683 PolarHBondContact O-N 2.85Å
680C64.1Low71Confident55 Ų5586.6 Ų86.637%0.37246%0.461SS..Hα-helixtrans-59.8-36.9177-71.90000112.1F676 I677 S684F676-C680 VanDerWaalsContact CE1-SG 3.6Å; F676-C680 WeakPolarHBondContact O-CB 3.39Å; F676-C680 PolarHBondContact O-N 3.49Å; F676-C680 PolarHBondContact O-SG 3.28Å; F676-C680 VanDerWaalsContact O-SG 3.4Å; I677-C680 PolarHBondContact O-N 3.33Å; C680-S684 WeakPolarHBondContact O-CB 3.4Å; C680-S684 PolarHBondContact O-N 2.84Å
681E67Low71.1Confident111 Ų11187.2 Ų87.252%0.51947%0.466SS..Hα-helixtrans-63.7-46.2170.6-72.8-179176.900111.7I677 K679 E683 S684 V685I677-E681 HydrophobicContact CG2-CG 4.26Å; I677-E681 WeakPolarHBondContact O-CB 3.23Å; I677-E681 WeakPolarHBondContact O-CG 3.08Å; I677-E681 PolarHBondContact O-N 3.21Å; K679-E681 VanDerWaalsContact C-N 3.27Å; K679-E681 PolarHBondContact O-N 2.97Å; E681-E683 PolarHBondContact O-N 3.25Å; E681-S684 PolarHBondContact O-N 2.8Å; E681-V685 WeakPolarHBondContact O-CB 3.47Å; E681-V685 WeakPolarHBondContact O-CG2 3.37Å; E681-V685 PolarHBondContact O-N 2.81Å
682S71.7Confident71.1Confident72 Ų7290.8 Ų90.850%0.50348%0.476SS..Hα-helixtrans-63.8-39.6178.4740000113.1N678 K679 S686N678-S682 WeakPolarHBondContact O-CB 3.21Å; N678-S682 PolarHBondContact O-N 3.28Å; N678-S682 PolarHBondContact O-OG 3.34Å; K679-S682 PolarHBondContact O-N 2.92Å; K679-S682 VanDerWaalsContact O-N 3.09Å; K679-S682 PolarHBondContact O-OG 2.87Å; S682-S686 PolarHBondContact O-N 3.16Å; S682-S686 VanDerWaalsContact O-N 3.15Å
683E71.3Confident71.2Confident78 Ų7890.2 Ų90.236%0.36448%0.475SS..Hα-helixtrans-70.2-41.5174.7-69.3179.6174.300110.1K679 E681 S686 H687K679-E683 WeakPolarHBondContact CE-OE1 3.48Å; K679-E683 IonicContact NZ-OE1 2.76Å; K679-E683 PolarHBondContact O-N 2.85Å; E681-E683 PolarHBondContact O-N 3.25Å; E683-S686 WeakPolarHBondContact O-CB 3.49Å; E683-S686 PolarHBondContact O-N 2.71Å; E683-H687 VanDerWaalsContact O-CG 3.32Å; E683-H687 PolarHBondContact O-N 2.79Å; E683-H687 PolarHBondContact O-ND1 3.41Å
684S67Low71.2Confident58 Ų5887.5 Ų87.541%0.40646%0.463SS..Hα-helixtrans-60.7-44.2174.8178.40000113.2C680 E681 S686 H687 N688C680-S684 WeakPolarHBondContact O-CB 3.4Å; C680-S684 PolarHBondContact O-N 2.84Å; E681-S684 PolarHBondContact O-N 2.8Å; S684-S686 VanDerWaalsContact C-N 3.34Å; S684-S686 PolarHBondContact O-N 3.14Å; S684-H687 PolarHBondContact O-N 3.39Å; S684-N688 WeakPolarHBondContact O-CB 3.38Å; S684-N688 PolarHBondContact O-N 2.7Å; S684-N688 PolarHBondContact O-ND2 2.88Å
685V72.6Confident71.2Confident92 Ų9290.3 Ų90.356%0.55847%0.471SS*.Hα-helixtrans-65-38.3176.3169.30000111E681 T689E681-V685 WeakPolarHBondContact O-CB 3.47Å; E681-V685 WeakPolarHBondContact O-CG2 3.37Å; E681-V685 PolarHBondContact O-N 2.81Å; V685-T689 WeakPolarHBondContact O-CB 3.37Å; V685-T689 PolarHBondContact O-N 2.71Å; V685-T689 PolarHBondContact O-OG1 2.97Å
686S73.4Confident71.3Confident64 Ų6488.2 Ų88.245%0.44847%0.467SS..Hα-helixtrans-61.7-51.6173.6-164.60000111.2S682 E683 S684 N688 T689 E690S682-S686 PolarHBondContact O-N 3.16Å; S682-S686 VanDerWaalsContact O-N 3.15Å; E683-S686 WeakPolarHBondContact O-CB 3.49Å; E683-S686 PolarHBondContact O-N 2.71Å; S684-S686 VanDerWaalsContact C-N 3.34Å; S684-S686 PolarHBondContact O-N 3.14Å; S686-N688 PolarHBondContact O-N 2.71Å; S686-T689 WeakPolarHBondContact O-CB 3.38Å; S686-T689 PolarHBondContact O-N 3.49Å; S686-T689 VanDerWaalsContact O-N 3.17Å; S686-E690 PolarHBondContact O-N 3.48Å
687H68.4Low71.6Confident81 Ų8187.3 Ų87.338%0.37546%0.464SS..Hα-helixtrans-65.1-37.3179.2-61.7128000112.8E683 S684 T689 E690 L691E683-H687 VanDerWaalsContact O-CG 3.32Å; E683-H687 PolarHBondContact O-N 2.79Å; E683-H687 PolarHBondContact O-ND1 3.41Å; S684-H687 PolarHBondContact O-N 3.39Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 3.11Å; H687-E690 PolarHBondContact O-N 3.43Å; H687-L691 WeakPolarHBondContact O-CB 3.5Å; H687-L691 WeakPolarHBondContact O-CG 3.42Å; H687-L691 PolarHBondContact O-N 2.7Å
688N71.3Confident71.6Confident97 Ų9786.3 Ų86.352%0.51946%0.459SS..Hα-helixtrans-62.3-39.9172.3-100-61.9000111.9S684 S686 L691 Q692S684-N688 WeakPolarHBondContact O-CB 3.38Å; S684-N688 PolarHBondContact O-N 2.7Å; S684-N688 PolarHBondContact O-ND2 2.88Å; S686-N688 PolarHBondContact O-N 2.71Å; N688-L691 PolarHBondContact O-N 3.49Å; N688-Q692 VanDerWaalsContact O-CB 3.28Å; N688-Q692 WeakPolarHBondContact O-CB 3.43Å; N688-Q692 PolarHBondContact O-N 3.26Å
689T74.9Confident71.6Confident71 Ų7185.2 Ų85.244%0.43646%0.456SS..Hα-helixtrans-65.9-40.2177.1-54.40000111.1V685 S686 H687 N693V685-T689 WeakPolarHBondContact O-CB 3.37Å; V685-T689 PolarHBondContact O-N 2.71Å; V685-T689 PolarHBondContact O-OG1 2.97Å; S686-T689 WeakPolarHBondContact O-CB 3.38Å; S686-T689 PolarHBondContact O-N 3.49Å; S686-T689 VanDerWaalsContact O-N 3.17Å; H687-T689 VanDerWaalsContact C-N 3.33Å; H687-T689 PolarHBondContact O-N 3.11Å; T689-N693 PolarHBondContact O-N 2.94Å; T689-N693 VanDerWaalsContact O-N 3.07Å; T689-N693 PolarHBondContact O-ND2 2.72Å
690E73.8Confident71.6Confident98 Ų9885.3 Ų85.346%0.45846%0.458SS..Hα-helixtrans-66.8-44.3173.8-69.1-170.2160.100112.4S686 H687 Q692 N693 I694S686-E690 PolarHBondContact O-N 3.48Å; H687-E690 PolarHBondContact O-N 3.43Å; E690-Q692 VanDerWaalsContact C-N 3.35Å; E690-Q692 PolarHBondContact O-N 2.9Å; E690-N693 PolarHBondContact O-N 3.31Å; E690-I694 WeakPolarHBondContact O-CD1 3.16Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.31Å; E690-I694 PolarHBondContact O-N 3.07Å
691L70.7Confident71.7Confident99 Ų9983.8 Ų83.852%0.51845%0.449SS..Hα-helixtrans-58.6-43.7174-78.8167.2000112H687 N688 N693 I694 Q695H687-L691 WeakPolarHBondContact O-CB 3.5Å; H687-L691 WeakPolarHBondContact O-CG 3.42Å; H687-L691 PolarHBondContact O-N 2.7Å; N688-L691 PolarHBondContact O-N 3.49Å; L691-N693 PolarHBondContact O-N 2.65Å; L691-I694 PolarHBondContact O-N 3.46Å; L691-Q695 VanDerWaalsContact O-CB 3.32Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 PolarHBondContact O-N 3.28Å
692Q71.6Confident71.8Confident134 Ų13485.8 Ų85.863%0.62645%0.453SS*.Hα-helixtrans-66.8-36.9179.1-163.8174.856.600111.8N688 E690 T696N688-Q692 VanDerWaalsContact O-CB 3.28Å; N688-Q692 WeakPolarHBondContact O-CB 3.43Å; N688-Q692 PolarHBondContact O-N 3.26Å; E690-Q692 VanDerWaalsContact C-N 3.35Å; E690-Q692 PolarHBondContact O-N 2.9Å; Q692-T696 WeakPolarHBondContact O-CB 3.38Å; Q692-T696 PolarHBondContact O-N 3.34Å; Q692-T696 PolarHBondContact O-OG1 2.91Å
693N74.4Confident72.1Confident99 Ų9988.5 Ų88.553%0.52946%0.456SS..Hα-helixtrans-63.8-46.6171-76.4-48.1000111.7T689 E690 L691 Q695 T696 E697T689-N693 PolarHBondContact O-N 2.94Å; T689-N693 VanDerWaalsContact O-N 3.07Å; T689-N693 PolarHBondContact O-ND2 2.72Å; E690-N693 PolarHBondContact O-N 3.31Å; L691-N693 PolarHBondContact O-N 2.65Å; N693-Q695 PolarHBondContact O-N 2.92Å; N693-T696 WeakPolarHBondContact O-CB 3.3Å; N693-T696 PolarHBondContact O-N 3.42Å; N693-E697 PolarHBondContact O-N 2.92Å
694I70.4Confident72.3Confident37 Ų3791.5 Ų91.519%0.1946%0.464CS..Hα-helixtrans-62.1-42.6177.7-69.9162.2000111.3E690 L691 T696 E697 L698 I769E690-I694 WeakPolarHBondContact O-CD1 3.16Å; E690-I694 VanDerWaalsContact O-CG1 3.28Å; E690-I694 WeakPolarHBondContact O-CG1 3.31Å; E690-I694 PolarHBondContact O-N 3.07Å; L691-I694 PolarHBondContact O-N 3.46Å; I694-T696 VanDerWaalsContact C-N 3.31Å; I694-T696 PolarHBondContact O-N 3.24Å; I694-E697 PolarHBondContact O-N 3.28Å; I694-L698 HydrophobicContact CG2-CD1 4.11Å; I694-L698 WeakPolarHBondContact O-CB 3.29Å; I694-L698 PolarHBondContact O-N 2.86Å; I694-I769 HydrophobicContact CD1-CD1 3.56Å
695Q71.1Confident72.5Confident132 Ų13291.2 Ų91.262%0.61746%0.458SS*.Hα-helixtrans-65.1-34.7176.4-171.1175.68.100112L691 N693 T699L691-Q695 VanDerWaalsContact O-CB 3.32Å; L691-Q695 WeakPolarHBondContact O-CB 3.45Å; L691-Q695 PolarHBondContact O-N 3.28Å; N693-Q695 PolarHBondContact O-N 2.92Å; Q695-T699 WeakPolarHBondContact O-CB 3.47Å; Q695-T699 PolarHBondContact O-N 2.78Å; Q695-T699 PolarHBondContact O-OG1 2.98Å
696T75.6Confident72.7Confident86 Ų8692.5 Ų92.553%0.52846%0.457SS..Hα-helixtrans-68.4-45.6174.7-56.60000111.2Q692 N693 I694 T699 E700Q692-T696 WeakPolarHBondContact O-CB 3.38Å; Q692-T696 PolarHBondContact O-N 3.34Å; Q692-T696 PolarHBondContact O-OG1 2.91Å; N693-T696 WeakPolarHBondContact O-CB 3.3Å; N693-T696 PolarHBondContact O-N 3.42Å; I694-T696 VanDerWaalsContact C-N 3.31Å; I694-T696 PolarHBondContact O-N 3.24Å; T696-T699 PolarHBondContact O-N 2.99Å; T696-E700 PolarHBondContact O-N 2.88Å; T696-E700 VanDerWaalsContact O-N 3.07Å
697E73.9Confident72.9Confident105 Ų10593.9 Ų93.949%0.49146%0.46SS..Hα-helixtrans-60.7-45.1173.8-74-172.5172.800112.3N693 I694 T699 E700 A701 K765N693-E697 PolarHBondContact O-N 2.92Å; I694-E697 PolarHBondContact O-N 3.28Å; E697-T699 VanDerWaalsContact C-N 3.32Å; E697-T699 PolarHBondContact O-N 3.32Å; E697-E700 PolarHBondContact O-N 2.84Å; E697-A701 WeakPolarHBondContact O-CB 3.25Å; E697-A701 PolarHBondContact O-N 3.47Å; E697-K765 IonicContact OE1-NZ 2.58Å; E697-K765 PolarHBondContact OE1-NZ 2.87Å; E697-K765 IonicContact OE2-NZ 3.78Å; E697-K765 PolarHBondContact OE2-NZ 2.69Å
698L70.1Confident73.2Confident52 Ų5292.7 Ų92.727%0.27246%0.456SS..Hα-helixtrans-58-44.2174.5-94.6160.3000111.3I694 E700 A701 Y702 L762I694-L698 HydrophobicContact CG2-CD1 4.11Å; I694-L698 WeakPolarHBondContact O-CB 3.29Å; I694-L698 PolarHBondContact O-N 2.86Å; L698-E700 VanDerWaalsContact C-N 3.3Å; L698-E700 PolarHBondContact O-N 3.33Å; L698-A701 PolarHBondContact O-N 2.95Å; L698-Y702 HydrophobicContact CB-CE2 4.49Å; L698-Y702 HydrophobicContact CD2-CE2 3.92Å; L698-Y702 WeakPolarHBondContact O-CD2 3.36Å; L698-Y702 PolarHBondContact O-N 2.91Å; L698-L762 HydrophobicContact CD1-CD2 4.38Å; L698-L762 HydrophobicContact CD2-CD1 4.32Å; L698-L762 HydrophobicContact CD2-CD2 4.17Å; L698-L762 HydrophobicContact CG-CD2 4.3Å
699T74.6Confident73.2Confident69 Ų6993.2 Ų93.242%0.42346%0.455SS..Hα-helixtrans-61.7-37178-58.90000112Q695 T696 E697 K703Q695-T699 WeakPolarHBondContact O-CB 3.47Å; Q695-T699 PolarHBondContact O-N 2.78Å; Q695-T699 PolarHBondContact O-OG1 2.98Å; T696-T699 PolarHBondContact O-N 2.99Å; E697-T699 VanDerWaalsContact C-N 3.32Å; E697-T699 PolarHBondContact O-N 3.32Å; T699-K703 WeakPolarHBondContact O-CG 3.42Å; T699-K703 PolarHBondContact O-N 3.48Å
700E75.6Confident73.2Confident102 Ų10293.4 Ų93.448%0.47746%0.458SS..Hα-helixtrans-76.9-34.4174.8-153.2-172.9133.100112.7T696 E697 L698 K703 R704T696-E700 PolarHBondContact O-N 2.88Å; T696-E700 VanDerWaalsContact O-N 3.07Å; E697-E700 PolarHBondContact O-N 2.84Å; L698-E700 VanDerWaalsContact C-N 3.3Å; L698-E700 PolarHBondContact O-N 3.33Å; E700-K703 PolarHBondContact O-N 2.88Å; E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 2.88Å; E700-R704 VanDerWaalsContact O-N 3.11Å; E700-R704 IonicContact OE1-CZ 2.62Å; E700-R704 IonicContact OE1-NE 2.63Å; E700-R704 PolarHBondContact OE1-NE 2.65Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.34Å
701A67.1Low73.3Confident22 Ų2292.9 Ų92.918%0.18246%0.456CS..Hα-helixtrans-60.7-45.5172.600000111.6E697 L698 K703 R704 I705E697-A701 WeakPolarHBondContact O-CB 3.25Å; E697-A701 PolarHBondContact O-N 3.47Å; L698-A701 PolarHBondContact O-N 2.95Å; A701-K703 PolarHBondContact O-N 3.2Å; A701-R704 WeakPolarHBondContact O-CB 3.45Å; A701-R704 PolarHBondContact O-N 3.46Å; A701-R704 VanDerWaalsContact O-N 3.11Å; A701-I705 WeakPolarHBondContact O-CG1 3.49Å; A701-I705 PolarHBondContact O-N 3.08Å
702Y69Low73.5Confident154 Ų15490.5 Ų90.560%0.60444%0.444SS*.Hα-helixtrans-58.5-44.6174.7-79.4-61.2000112.3L698 R704 I705 E706L698-Y702 HydrophobicContact CB-CE2 4.49Å; L698-Y702 HydrophobicContact CD2-CE2 3.92Å; L698-Y702 WeakPolarHBondContact O-CD2 3.36Å; L698-Y702 PolarHBondContact O-N 2.91Å; Y702-R704 VanDerWaalsContact C-N 3.25Å; Y702-R704 PolarHBondContact O-N 3.09Å; Y702-I705 HydrophobicContact CD1-CD1 4.48Å; Y702-I705 PolarHBondContact O-N 3.47Å; Y702-I705 VanDerWaalsContact O-N 3.16Å; Y702-E706 WeakPolarHBondContact O-CB 3.3Å; Y702-E706 PolarHBondContact O-N 3.18Å
703K77.8Confident73.6Confident128 Ų12891.5 Ų91.556%0.55744%0.443SS*.Hα-helixtrans-61-31.4175.3-73.1173-178.8174.60113.4T699 E700 A701 N707T699-K703 WeakPolarHBondContact O-CG 3.42Å; T699-K703 PolarHBondContact O-N 3.48Å; E700-K703 PolarHBondContact O-N 2.88Å; A701-K703 PolarHBondContact O-N 3.2Å; K703-N707 WeakPolarHBondContact O-CB 3.5Å; K703-N707 PolarHBondContact O-N 3.04Å; K703-N707 VanDerWaalsContact O-N 3.14Å
704R75.8Confident73.7Confident142 Ų14289.6 Ų89.654%0.53644%0.437SS..Hα-helixtrans-74.1-39.6175.1-66.4170.9-171.8-173.24.6111.5E700 A701 Y702 L708E700-R704 WeakPolarHBondContact O-CG 3.45Å; E700-R704 PolarHBondContact O-N 2.88Å; E700-R704 VanDerWaalsContact O-N 3.11Å; E700-R704 IonicContact OE1-CZ 2.62Å; E700-R704 IonicContact OE1-NE 2.63Å; E700-R704 PolarHBondContact OE1-NE 2.65Å; E700-R704 IonicContact OE1-NH2 2.84Å; E700-R704 PolarHBondContact OE1-NH2 3.34Å; A701-R704 WeakPolarHBondContact O-CB 3.45Å; A701-R704 PolarHBondContact O-N 3.46Å; A701-R704 VanDerWaalsContact O-N 3.11Å; Y702-R704 VanDerWaalsContact C-N 3.25Å; Y702-R704 PolarHBondContact O-N 3.09Å; R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 2.8Å; R704-L708 VanDerWaalsContact O-N 3.1Å
705I71.3Confident73.7Confident52 Ų5289 Ų8927%0.26744%0.436SS..Hα-helixtrans-62.6-47.1172.8-64.5165.7000110.4A701 Y702 N707 L708 Q709 L755A701-I705 WeakPolarHBondContact O-CG1 3.49Å; A701-I705 PolarHBondContact O-N 3.08Å; Y702-I705 HydrophobicContact CD1-CD1 4.48Å; Y702-I705 PolarHBondContact O-N 3.47Å; Y702-I705 VanDerWaalsContact O-N 3.16Å; I705-N707 PolarHBondContact O-N 3.36Å; I705-L708 PolarHBondContact O-N 3.4Å; I705-Q709 WeakPolarHBondContact O-CB 3.31Å; I705-Q709 PolarHBondContact O-N 3.39Å; I705-L755 HydrophobicContact CD1-CD2 3.83Å; I705-L755 HydrophobicContact CG1-CD2 4.13Å
706E75.2Confident73.8Confident118 Ų11886 Ų8655%0.55142%0.424SS*.Hα-helixtrans-57.5-45.4178-176.2177.8-14700111.7Y702 Q709 C710Y702-E706 WeakPolarHBondContact O-CB 3.3Å; Y702-E706 PolarHBondContact O-N 3.18Å; E706-Q709 WeakPolarHBondContact O-CB 3.34Å; E706-Q709 PolarHBondContact O-N 2.62Å; E706-C710 PolarHBondContact O-N 2.99Å; E706-C710 PolarHBondContact O-SG 3.49Å; E706-C710 VanDerWaalsContact O-SG 3.34Å
707N77.5Confident73.9Confident93 Ų9388.1 Ų88.150%0.49743%0.428SS..Hα-helixtrans-62.3-44.3175.7-171.4-16.8000112.4K703 I705 Q709 C710 Q711K703-N707 WeakPolarHBondContact O-CB 3.5Å; K703-N707 PolarHBondContact O-N 3.04Å; K703-N707 VanDerWaalsContact O-N 3.14Å; I705-N707 PolarHBondContact O-N 3.36Å; N707-Q709 VanDerWaalsContact C-N 3.31Å; N707-Q709 PolarHBondContact O-N 2.87Å; N707-C710 WeakPolarHBondContact O-CB 3.33Å; N707-C710 PolarHBondContact O-N 3.16Å; N707-Q711 WeakPolarHBondContact O-CG 3.45Å; N707-Q711 PolarHBondContact O-N 3.46Å; N707-Q711 PolarHBondContact OD1-NE2 3.32Å
708L74.6Confident73.8Confident57 Ų5788.1 Ų88.130%0.29843%0.428SS..Hα-helixtrans-64.3-35.8174.8-71.4166.4000112.2R704 I705 Q711 L712 L754R704-L708 WeakPolarHBondContact O-CG 3.46Å; R704-L708 PolarHBondContact O-N 2.8Å; R704-L708 VanDerWaalsContact O-N 3.1Å; I705-L708 PolarHBondContact O-N 3.4Å; L708-Q711 PolarHBondContact O-N 3.32Å; L708-L712 WeakPolarHBondContact O-CB 3.22Å; L708-L712 PolarHBondContact O-N 2.92Å; L708-L754 HydrophobicContact CD1-CD1 3.64Å
709Q71.8Confident73.8Confident108 Ų10886.4 Ų86.451%0.50542%0.419SS..Hα-helixtrans-64.9-41.9174.6-170.8176.1700111.2I705 E706 N707 L712 Y713I705-Q709 WeakPolarHBondContact O-CB 3.31Å; I705-Q709 PolarHBondContact O-N 3.39Å; E706-Q709 WeakPolarHBondContact O-CB 3.34Å; E706-Q709 PolarHBondContact O-N 2.62Å; N707-Q709 VanDerWaalsContact C-N 3.31Å; N707-Q709 PolarHBondContact O-N 2.87Å; Q709-L712 PolarHBondContact O-N 2.78Å; Q709-Y713 HydrophobicContact CG-CD2 4.13Å; Q709-Y713 HydrophobicContact CG-CE2 4.18Å; Q709-Y713 WeakPolarHBondContact O-CD2 3.47Å; Q709-Y713 PolarHBondContact O-N 2.88Å
710C75.3Confident73.9Confident74 Ų7486.5 Ų86.550%0.542%0.419SS..Hα-helixtrans-60.4-44.5172-67.10000112.2E706 N707 Y713 S714E706-C710 PolarHBondContact O-N 2.99Å; E706-C710 PolarHBondContact O-SG 3.49Å; E706-C710 VanDerWaalsContact O-SG 3.34Å; N707-C710 WeakPolarHBondContact O-CB 3.33Å; N707-C710 PolarHBondContact O-N 3.16Å; C710-Y713 PolarHBondContact O-N 2.76Å; C710-S714 PolarHBondContact O-N 3.32Å; C710-S714 PolarHBondContact O-OG 2.96Å
711Q76.2Confident73.7Confident88 Ų8887.1 Ų87.141%0.41142%0.422SS..Hα-helixtrans-62-45177-69.2172.543.100111.7N707 L708 Y713 S714 S715N707-Q711 WeakPolarHBondContact O-CG 3.45Å; N707-Q711 PolarHBondContact O-N 3.46Å; N707-Q711 PolarHBondContact OD1-NE2 3.32Å; L708-Q711 PolarHBondContact O-N 3.32Å; Q711-Y713 VanDerWaalsContact C-N 3.35Å; Q711-Y713 PolarHBondContact O-N 3Å; Q711-S714 PolarHBondContact O-N 3.49Å; Q711-S715 PolarHBondContact O-N 2.87Å; Q711-S715 PolarHBondContact O-OG 3.26Å
712L73.7Confident73.8Confident49 Ų4988.3 Ų88.326%0.25743%0.425SS..Hα-helixtrans-61.3-42.5176.8-168.273.4000111.5L708 Q709 S715 I716 L744 L747L708-L712 WeakPolarHBondContact O-CB 3.22Å; L708-L712 PolarHBondContact O-N 2.92Å; Q709-L712 PolarHBondContact O-N 2.78Å; L712-S715 PolarHBondContact O-N 3.09Å; L712-I716 HydrophobicContact CD2-CD1 4.5Å; L712-I716 HydrophobicContact CG-CD1 4.06Å; L712-I716 VanDerWaalsContact O-CG1 3.26Å; L712-I716 WeakPolarHBondContact O-CG1 3.3Å; L712-I716 PolarHBondContact O-N 2.88Å; L712-L744 HydrophobicContact CD1-CD2 4.05Å; L712-L747 HydrophobicContact CD1-CB 4.29Å
713Y74.7Confident73.8Confident154 Ų15482.5 Ų82.560%0.60441%0.409SS*.Hα-helixtrans-59.7-45.4173.3-96.4-71.1000112.2Q709 C710 Q711 S715 I716 E717Q709-Y713 HydrophobicContact CG-CD2 4.13Å; Q709-Y713 HydrophobicContact CG-CE2 4.18Å; Q709-Y713 WeakPolarHBondContact O-CD2 3.47Å; Q709-Y713 PolarHBondContact O-N 2.88Å; C710-Y713 PolarHBondContact O-N 2.76Å; Q711-Y713 VanDerWaalsContact C-N 3.35Å; Q711-Y713 PolarHBondContact O-N 3Å; Y713-S715 VanDerWaalsContact C-N 3.34Å; Y713-S715 PolarHBondContact O-N 2.8Å; Y713-I716 PolarHBondContact O-N 2.77Å; Y713-E717 PolarHBondContact O-N 2.8Å
714S76.6Confident73.6Confident60 Ų6081.7 Ų81.742%0.4241%0.405SS..Hα-helixtrans-61.5-38.8176.3-620000112.8C710 Q711 E717 Q718C710-S714 PolarHBondContact O-N 3.32Å; C710-S714 PolarHBondContact O-OG 2.96Å; Q711-S714 PolarHBondContact O-N 3.49Å; S714-E717 PolarHBondContact O-N 2.82Å; S714-Q718 VanDerWaalsContact O-CG 3.31Å; S714-Q718 WeakPolarHBondContact O-CG 3.01Å; S714-Q718 PolarHBondContact O-N 2.66Å
715S69.7Low73.2Confident23 Ų2377.7 Ų77.716%0.16140%0.396CS..Hα-helixtrans-71-33.9174.7-65.20000113.1Q711 L712 Y713 Q718 N719Q711-S715 PolarHBondContact O-N 2.87Å; Q711-S715 PolarHBondContact O-OG 3.26Å; L712-S715 PolarHBondContact O-N 3.09Å; Y713-S715 VanDerWaalsContact C-N 3.34Å; Y713-S715 PolarHBondContact O-N 2.8Å; S715-Q718 PolarHBondContact O-N 3.46Å; S715-N719 WeakPolarHBondContact O-CB 3.21Å; S715-N719 PolarHBondContact O-N 2.88Å; S715-N719 PolarHBondContact O-OD1 3.26Å; S715-N719 VanDerWaalsContact O-OD1 3.1Å
716I74.5Confident72.8Confident71 Ų7177.7 Ų77.736%0.36440%0.396SS..Hα-helixtrans-66.4-40.3172.4-69.3164.5000110.8L712 Y713 N719 T720 L744L712-I716 HydrophobicContact CD2-CD1 4.5Å; L712-I716 HydrophobicContact CG-CD1 4.06Å; L712-I716 VanDerWaalsContact O-CG1 3.26Å; L712-I716 WeakPolarHBondContact O-CG1 3.3Å; L712-I716 PolarHBondContact O-N 2.88Å; Y713-I716 PolarHBondContact O-N 2.77Å; I716-N719 PolarHBondContact O-N 2.82Å; I716-T720 WeakPolarHBondContact O-CB 3.31Å; I716-T720 WeakPolarHBondContact O-CG2 3.18Å; I716-T720 PolarHBondContact O-N 2.67Å; I716-T720 PolarHBondContact O-OG1 2.66Å; I716-L744 HydrophobicContact CG1-CD1 3.88Å; I716-L744 HydrophobicContact CG1-CD2 4.19Å; I716-L744 HydrophobicContact CG1-CG 4.49Å
717E77Confident72.3Confident130 Ų13080 Ų8061%0.60741%0.407SS*.Hα-helixtrans-64.4-42.5175-171.4168.6-148.100111.4Y713 S714 T720 H721Y713-E717 PolarHBondContact O-N 2.8Å; S714-E717 PolarHBondContact O-N 2.82Å; E717-T720 WeakPolarHBondContact CA-OG1 3.44Å; E717-T720 PolarHBondContact O-N 3.33Å; E717-T720 PolarHBondContact O-OG1 2.76Å; E717-T720 VanDerWaalsContact O-OG1 3.11Å; E717-H721 PolarHBondContact O-N 2.63Å
718Q72.6Confident71.8Confident105 Ų10583 Ų8349%0.49142%0.418SS..Hα-helixtrans-61.8-47.5172.5-73.3171.74.600112.5S714 S715 T720 H721 L722S714-Q718 VanDerWaalsContact O-CG 3.31Å; S714-Q718 WeakPolarHBondContact O-CG 3.01Å; S714-Q718 PolarHBondContact O-N 2.66Å; S715-Q718 PolarHBondContact O-N 3.46Å; Q718-T720 VanDerWaalsContact C-N 3.34Å; Q718-T720 PolarHBondContact O-N 3.4Å; Q718-H721 WeakPolarHBondContact O-CB 3.09Å; Q718-H721 PolarHBondContact O-N 2.79Å; Q718-L722 PolarHBondContact O-N 3.25Å
719N68.9Low71.1Confident16 Ų1686.6 Ų86.69%0.08643%0.433CS..Hα-helixtrans-64.2-36.6178.3-78.939.2000112.4S715 I716 L722 A723 H740 L744S715-N719 WeakPolarHBondContact O-CB 3.21Å; S715-N719 PolarHBondContact O-N 2.88Å; S715-N719 PolarHBondContact O-OD1 3.26Å; S715-N719 VanDerWaalsContact O-OD1 3.1Å; I716-N719 PolarHBondContact O-N 2.82Å; N719-L722 PolarHBondContact O-N 2.98Å; N719-A723 WeakPolarHBondContact O-CB 3.33Å; N719-A723 PolarHBondContact O-N 3.39Å; N719-H740 PolarHBondContact ND2-O 3.44Å; N719-H740 VanDerWaalsContact ND2-O 3.15Å; N719-H740 PolarHBondContact OD1-ND1 2.98Å; N719-L744 HydrophobicContact CB-CD1 4.03Å; N719-L744 WeakPolarHBondContact ND2-CD1 3.31Å
720T76.2Confident70.3Confident70 Ų7090.3 Ų90.343%0.42945%0.45SS..Hα-helixtrans-75.1-24.1175.750.10000113I716 E717 Q718 K724I716-T720 WeakPolarHBondContact O-CB 3.31Å; I716-T720 WeakPolarHBondContact O-CG2 3.18Å; I716-T720 PolarHBondContact O-N 2.67Å; I716-T720 PolarHBondContact O-OG1 2.66Å; E717-T720 WeakPolarHBondContact CA-OG1 3.44Å; E717-T720 PolarHBondContact O-N 3.33Å; E717-T720 PolarHBondContact O-OG1 2.76Å; E717-T720 VanDerWaalsContact O-OG1 3.11Å; Q718-T720 VanDerWaalsContact C-N 3.34Å; Q718-T720 PolarHBondContact O-N 3.4Å; T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.88Å
721H73Confident69.4Low116 Ų11690.5 Ų90.554%0.53745%0.449SS..Hα-helixtrans-68.8-48.7164.5-115.3-71.4000111.6E717 Q718 A723 K724 T725E717-H721 PolarHBondContact O-N 2.63Å; Q718-H721 WeakPolarHBondContact O-CB 3.09Å; Q718-H721 PolarHBondContact O-N 2.79Å; H721-A723 VanDerWaalsContact C-N 3.31Å; H721-A723 PolarHBondContact O-N 3.38Å; H721-K724 PolarHBondContact O-N 2.89Å; H721-T725 PolarHBondContact O-N 3.34Å; H721-T725 VanDerWaalsContact O-N 3.07Å; H721-T725 PolarHBondContact O-OG1 3.31Å
722L68.7Low68.5Low47 Ų4794.1 Ų94.125%0.24647%0.471CS..Hα-helixtrans-58.6-42.6178.6-134.281.1000111.8Q718 N719 K724 T725 M726 H740Q718-L722 PolarHBondContact O-N 3.25Å; N719-L722 PolarHBondContact O-N 2.98Å; L722-K724 PolarHBondContact O-N 2.83Å; L722-T725 PolarHBondContact O-N 2.81Å; L722-M726 WeakPolarHBondContact O-CG 3.18Å; L722-M726 PolarHBondContact O-N 3.16Å; L722-H740 HydrophobicContact CD2-CB 4.24Å
723A68Low67.8Low31 Ų3193.8 Ų93.826%0.25647%0.471SS..Hα-helixtrans-59.8-43.6176.900000112.4N719 H721 M726 E727 Y737N719-A723 WeakPolarHBondContact O-CB 3.33Å; N719-A723 PolarHBondContact O-N 3.39Å; H721-A723 VanDerWaalsContact C-N 3.31Å; H721-A723 PolarHBondContact O-N 3.38Å; A723-M726 WeakPolarHBondContact O-CB 3.39Å; A723-M726 PolarHBondContact O-N 2.86Å; A723-E727 PolarHBondContact O-N 2.96Å; A723-Y737 HydrophobicContact CB-CE2 4.22Å
724K73.6Confident67.4Low111 Ų11191 Ų9148%0.48347%0.466SS..Hα-helixtrans-62.4-42.7174.3-71.1168.5-176.5170.60111.7T720 H721 L722 M726 E727 E728T720-K724 WeakPolarHBondContact O-CG 3.37Å; T720-K724 PolarHBondContact O-N 2.88Å; H721-K724 PolarHBondContact O-N 2.89Å; L722-K724 PolarHBondContact O-N 2.83Å; K724-M726 VanDerWaalsContact C-N 3.28Å; K724-M726 PolarHBondContact O-N 2.84Å; K724-E727 PolarHBondContact O-N 3.21Å; K724-E727 VanDerWaalsContact O-N 3.1Å; K724-E728 WeakPolarHBondContact O-CG 3.29Å; K724-E728 PolarHBondContact O-N 2.69Å
725T68.6Low67Low58 Ų5892 Ų9236%0.35647%0.473SS..Hα-helixtrans-63.3-33.9177.2-49.50000112H721 L722 E728 E729H721-T725 PolarHBondContact O-N 3.34Å; H721-T725 VanDerWaalsContact O-N 3.07Å; H721-T725 PolarHBondContact O-OG1 3.31Å; L722-T725 PolarHBondContact O-N 2.81Å; T725-E728 PolarHBondContact O-N 3.46Å; T725-E729 HydrophobicContact CG2-CG 4.15Å; T725-E729 PolarHBondContact O-N 2.8Å
726M62Low66.8Low52 Ų5296.7 Ų96.726%0.25649%0.492SS..Hα-helixtrans-67.6-37.3171.3-67.9-179.977.100113.3L722 A723 K724 E728 L734 Y737L722-M726 WeakPolarHBondContact O-CG 3.18Å; L722-M726 PolarHBondContact O-N 3.16Å; A723-M726 WeakPolarHBondContact O-CB 3.39Å; A723-M726 PolarHBondContact O-N 2.86Å; K724-M726 VanDerWaalsContact C-N 3.28Å; K724-M726 PolarHBondContact O-N 2.84Å; M726-E728 VanDerWaalsContact C-N 3.3Å; M726-L734 HydrophobicContact CE-CD1 4.4Å; M726-Y737 HydrophobicContact CE-CG 4.31Å; M726-Y737 WeakPolarHBondContact SD-CB 3.17Å; M726-Y737 HydrophobicContact SD-CD1 4.29Å; M726-Y737 HydrophobicContact SD-CD2 3.57Å; M726-Y737 VanDerWaalsContact SD-CD2 3.57Å; M726-Y737 HydrophobicContact SD-CE2 4.4Å; M726-Y737 HydrophobicContact SD-CG 3.5Å
727E65.4Low66.5Low166 Ų16697.2 Ų97.278%0.77649%0.491SS*.Hα-helixtrans-67.8-29.3173.5-70.3-176.7156.400112.3A723 K724A723-E727 PolarHBondContact O-N 2.96Å; K724-E727 PolarHBondContact O-N 3.21Å; K724-E727 VanDerWaalsContact O-N 3.1Å
728E67.1Low66.2Low157 Ų15796 Ų9673%0.73449%0.485SS*.Hα-helixtrans-88.6-38.7-177.1-72.3177.717200114.6K724 T725 M726K724-E728 WeakPolarHBondContact O-CG 3.29Å; K724-E728 PolarHBondContact O-N 2.69Å; T725-E728 PolarHBondContact O-N 3.46Å; M726-E728 VanDerWaalsContact C-N 3.3Å
729E59.2Low66.2Low132 Ų13296.8 Ų96.862%0.61749%0.489SS*.Hα-helixtrans-103.9-10.4-167-61.8-156.4134.400117T725 V731T725-E729 HydrophobicContact CG2-CG 4.15Å; T725-E729 PolarHBondContact O-N 2.8Å; E729-V731 HydrophobicContact CB-CG2 3.86Å; E729-V731 PolarHBondContact O-N 2.89Å
730H55.3Low66.3Low186 Ų18699 Ų9986%0.86150%0.498SS*.  trans56.323.8-177.4-80.3-50.9000115.8
731V56.3Low66.1Low79 Ų7997.9 Ų97.948%0.47949%0.491SS..  trans-87.1146.7-178.9-1720000111.8E729 T733E729-V731 HydrophobicContact CB-CG2 3.86Å; E729-V731 PolarHBondContact O-N 2.89Å; V731-T733 HydrophobicContact CB-CG2 4.32Å; V731-T733 HydrophobicContact CG1-CG2 3.91Å; V731-T733 PolarHBondContact O-N 3.17Å
732D57Low66.3Low164 Ų164100.4 Ų100.488%0.87750%0.497SS*.  trans-69.637.9174.1-74.5-52000114.3L734D732-L734 PolarHBondContact O-N 2.77Å
733T60.1Low66.6Low41 Ų41101.8 Ų101.825%0.25250%0.503SS..THydrogen-bonded Turntrans-74.817.9174.1490000113.5V731 S735 E736 Y737V731-T733 HydrophobicContact CB-CG2 4.32Å; V731-T733 HydrophobicContact CG1-CG2 3.91Å; V731-T733 PolarHBondContact O-N 3.17Å; T733-S735 PolarHBondContact O-N 3.02Å; T733-E736 WeakPolarHBondContact CG2-OE2 3.48Å; T733-E736 PolarHBondContact O-N 3.09Å; T733-Y737 PolarHBondContact O-N 3.07Å
734L64.9Low66.8Low95 Ų95102.1 Ų102.150%0.49750%0.5SS..Hα-helixtrans-52.8-32.2176.9-17566.1000112.5M726 D732 Q738M726-L734 HydrophobicContact CE-CD1 4.4Å; D732-L734 PolarHBondContact O-N 2.77Å; L734-Q738 WeakPolarHBondContact O-CB 3.47Å; L734-Q738 VanDerWaalsContact O-CG 3.24Å; L734-Q738 WeakPolarHBondContact O-CG 3.45Å; L734-Q738 PolarHBondContact O-N 3.11Å
735S69.4Low66.9Low82 Ų82100.9 Ų100.957%0.57350%0.497SS*.Hα-helixtrans-68.9-34.8175.1-166.90000113.3T733 Q739T733-S735 PolarHBondContact O-N 3.02Å; S735-Q739 WeakPolarHBondContact O-CB 3.19Å; S735-Q739 PolarHBondContact O-N 3.39Å
736E65.5Low67.4Low121 Ų121102.2 Ų102.257%0.56550%0.498SS*.Hα-helixtrans-75.4-39.4177.6-62.8-175.2149.600110.5T733 Q739 H740T733-E736 WeakPolarHBondContact CG2-OE2 3.48Å; T733-E736 PolarHBondContact O-N 3.09Å; E736-Q739 WeakPolarHBondContact O-CB 3.46Å; E736-Q739 PolarHBondContact O-N 2.65Å; E736-H740 WeakPolarHBondContact O-CB 3.31Å; E736-H740 PolarHBondContact O-N 3.37Å
737Y67.1Low68.1Low83 Ų83101.7 Ų101.733%0.32550%0.497SS..Hα-helixtrans-63.2-42.5171.6-174.5-101.1000112.2A723 M726 T733 Q739 H740 V741A723-Y737 HydrophobicContact CB-CE2 4.22Å; M726-Y737 HydrophobicContact CE-CG 4.31Å; M726-Y737 WeakPolarHBondContact SD-CB 3.17Å; M726-Y737 HydrophobicContact SD-CD1 4.29Å; M726-Y737 HydrophobicContact SD-CD2 3.57Å; M726-Y737 VanDerWaalsContact SD-CD2 3.57Å; M726-Y737 HydrophobicContact SD-CE2 4.4Å; M726-Y737 HydrophobicContact SD-CG 3.5Å; T733-Y737 PolarHBondContact O-N 3.07Å; Y737-Q739 VanDerWaalsContact C-N 3.34Å; Y737-Q739 PolarHBondContact O-N 3.24Å; Y737-H740 PolarHBondContact O-N 3.06Å; Y737-V741 HydrophobicContact CD1-CG2 4.15Å; Y737-V741 HydrophobicContact CE1-CG2 3.79Å; Y737-V741 HydrophobicContact CE2-CG2 4.42Å; Y737-V741 WeakPolarHBondContact O-CB 3.36Å; Y737-V741 WeakPolarHBondContact O-CG2 3.38Å; Y737-V741 PolarHBondContact O-N 2.93Å
738Q71.6Confident68.4Low103 Ų10396.1 Ų96.148%0.48148%0.476SS..Hα-helixtrans-60.8-42.7172-78.4177-700111.6L734 H740 V741 Y742L734-Q738 WeakPolarHBondContact O-CB 3.47Å; L734-Q738 VanDerWaalsContact O-CG 3.24Å; L734-Q738 WeakPolarHBondContact O-CG 3.45Å; L734-Q738 PolarHBondContact O-N 3.11Å; Q738-H740 PolarHBondContact O-N 2.86Å; Q738-V741 PolarHBondContact O-N 3.49Å; Q738-Y742 WeakPolarHBondContact O-CB 3.3Å; Q738-Y742 VanDerWaalsContact O-CD2 3.26Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.5Å; Q738-Y742 PolarHBondContact O-N 3.39Å
739Q73.3Confident69Low123 Ų12393.1 Ų93.158%0.57547%0.465SS*.Hα-helixtrans-59.8-45.3175.3-164.672.922.400111.7S735 E736 Y737 Y742 E743S735-Q739 WeakPolarHBondContact O-CB 3.19Å; S735-Q739 PolarHBondContact O-N 3.39Å; E736-Q739 WeakPolarHBondContact O-CB 3.46Å; E736-Q739 PolarHBondContact O-N 2.65Å; Y737-Q739 VanDerWaalsContact C-N 3.34Å; Y737-Q739 PolarHBondContact O-N 3.24Å; Q739-Y742 PolarHBondContact O-N 3.34Å; Q739-E743 PolarHBondContact O-N 3.09Å
740H69.1Low69.8Low61 Ų6191.4 Ų91.428%0.28246%0.457SS..Hα-helixtrans-67.2-34.4177.2-106.9-83.7000113.1N719 L722 E736 Y737 Q738 L744N719-H740 PolarHBondContact ND2-O 3.44Å; N719-H740 VanDerWaalsContact ND2-O 3.15Å; N719-H740 PolarHBondContact OD1-ND1 2.98Å; L722-H740 HydrophobicContact CD2-CB 4.24Å; E736-H740 WeakPolarHBondContact O-CB 3.31Å; E736-H740 PolarHBondContact O-N 3.37Å; Y737-H740 PolarHBondContact O-N 3.06Å; Q738-H740 PolarHBondContact O-N 2.86Å; H740-L744 WeakPolarHBondContact O-CB 3.11Å; H740-L744 PolarHBondContact O-N 2.94Å
741V72.1Confident70.5Confident48 Ų4883.8 Ų83.829%0.29143%0.426SS..Hα-helixtrans-70.6-39.1172.5169.10000111Y737 Q738 L744 I745Y737-V741 HydrophobicContact CD1-CG2 4.15Å; Y737-V741 HydrophobicContact CE1-CG2 3.79Å; Y737-V741 HydrophobicContact CE2-CG2 4.42Å; Y737-V741 WeakPolarHBondContact O-CB 3.36Å; Y737-V741 WeakPolarHBondContact O-CG2 3.38Å; Y737-V741 PolarHBondContact O-N 2.93Å; Q738-V741 PolarHBondContact O-N 3.49Å; V741-L744 PolarHBondContact O-N 3.33Å; V741-I745 HydrophobicContact CG1-CD1 3.8Å; V741-I745 HydrophobicContact CG1-CG1 4.43Å; V741-I745 WeakPolarHBondContact O-CB 3.24Å; V741-I745 VanDerWaalsContact O-CG1 3.28Å; V741-I745 WeakPolarHBondContact O-CG1 3.1Å; V741-I745 PolarHBondContact O-N 3.39Å
742Y77.9Confident71.2Confident169 Ų16983.2 Ų83.266%0.66342%0.424SS*.Hα-helixtrans-63.8-42.3174.9-91.7-65.5000112.5Q738 Q739 I745 K746Q738-Y742 WeakPolarHBondContact O-CB 3.3Å; Q738-Y742 VanDerWaalsContact O-CD2 3.26Å; Q738-Y742 WeakPolarHBondContact O-CD2 3.5Å; Q738-Y742 PolarHBondContact O-N 3.39Å; Q739-Y742 PolarHBondContact O-N 3.34Å; Y742-I745 PolarHBondContact O-N 3.5Å; Y742-K746 VanDerWaalsContact O-CB 3.29Å; Y742-K746 WeakPolarHBondContact O-CB 3.41Å; Y742-K746 PolarHBondContact O-N 2.84Å
743E75.4Confident72.2Confident76 Ų7680.7 Ų80.736%0.35541%0.408SS..Hα-helixtrans-67.3-37.1174.7-83.1-64161.600112.5Q739 K746 L747Q739-E743 PolarHBondContact O-N 3.09Å; E743-K746 PolarHBondContact O-N 2.72Å; E743-K746 IonicContact OE1-NZ 3.41Å; E743-K746 PolarHBondContact OE1-NZ 2.84Å; E743-K746 IonicContact OE2-NZ 3.42Å; E743-K746 PolarHBondContact OE2-NZ 2.67Å; E743-L747 WeakPolarHBondContact O-CB 3.08Å; E743-L747 WeakPolarHBondContact O-CG 2.97Å; E743-L747 PolarHBondContact O-N 3.3Å
744L72.9Confident72.9Confident37 Ų3782.5 Ų82.519%0.19442%0.415CS..Hα-helixtrans-69.4-36.8175.9-146.8159.7000112L712 I716 N719 H740 V741 S748L712-L744 HydrophobicContact CD1-CD2 4.05Å; I716-L744 HydrophobicContact CG1-CD1 3.88Å; I716-L744 HydrophobicContact CG1-CD2 4.19Å; I716-L744 HydrophobicContact CG1-CG 4.49Å; N719-L744 HydrophobicContact CB-CD1 4.03Å; N719-L744 WeakPolarHBondContact ND2-CD1 3.31Å; H740-L744 WeakPolarHBondContact O-CB 3.11Å; H740-L744 PolarHBondContact O-N 2.94Å; V741-L744 PolarHBondContact O-N 3.33Å; L744-S748 VanDerWaalsContact O-CB 3.24Å; L744-S748 WeakPolarHBondContact O-CB 3.06Å; L744-S748 PolarHBondContact O-N 3.49Å
745I75.8Confident73.1Confident85 Ų8582.2 Ų82.244%0.43641%0.414SS..Hα-helixtrans-63.8-41.5169.8-70.7167.6000110.9V741 Y742 S748 N749V741-I745 HydrophobicContact CG1-CD1 3.8Å; V741-I745 HydrophobicContact CG1-CG1 4.43Å; V741-I745 WeakPolarHBondContact O-CB 3.24Å; V741-I745 VanDerWaalsContact O-CG1 3.28Å; V741-I745 WeakPolarHBondContact O-CG1 3.1Å; V741-I745 PolarHBondContact O-N 3.39Å; Y742-I745 PolarHBondContact O-N 3.5Å; I745-S748 PolarHBondContact O-N 3.33Å; I745-N749 WeakPolarHBondContact O-CB 3.39Å; I745-N749 PolarHBondContact O-N 3.29Å; I745-N749 PolarHBondContact O-ND2 3.45Å
746K79Confident73.3Confident86 Ų8683.3 Ų83.337%0.37441%0.412SS..Hα-helixtrans-63.4-49.6177.2169166.3151.2-87.80111.8Y742 E743 S748 N749 E750Y742-K746 VanDerWaalsContact O-CB 3.29Å; Y742-K746 WeakPolarHBondContact O-CB 3.41Å; Y742-K746 PolarHBondContact O-N 2.84Å; E743-K746 PolarHBondContact O-N 2.72Å; E743-K746 IonicContact OE1-NZ 3.41Å; E743-K746 PolarHBondContact OE1-NZ 2.84Å; E743-K746 IonicContact OE2-NZ 3.42Å; E743-K746 PolarHBondContact OE2-NZ 2.67Å; K746-S748 VanDerWaalsContact C-N 3.32Å; K746-S748 PolarHBondContact O-N 2.72Å; K746-N749 PolarHBondContact O-N 2.86Å; K746-E750 VanDerWaalsContact CE-OE1 3.25Å; K746-E750 WeakPolarHBondContact CE-OE1 3.35Å; K746-E750 WeakPolarHBondContact CG-OE1 3.38Å; K746-E750 WeakPolarHBondContact O-CB 3.41Å; K746-E750 WeakPolarHBondContact O-CG 3.49Å; K746-E750 PolarHBondContact O-N 2.96Å
747L75.5Confident73.8Confident42 Ų4282.7 Ų82.722%0.2241%0.408CS..Hα-helixtrans-60.5-40.1174.9-71168.6000112.2L712 E743 E750 A751L712-L747 HydrophobicContact CD1-CB 4.29Å; E743-L747 WeakPolarHBondContact O-CB 3.08Å; E743-L747 WeakPolarHBondContact O-CG 2.97Å; E743-L747 PolarHBondContact O-N 3.3Å; L747-E750 PolarHBondContact O-N 2.65Å; L747-A751 WeakPolarHBondContact O-CB 3.18Å; L747-A751 PolarHBondContact O-N 2.65Å
748S72.8Confident73.8Confident48 Ų4880.7 Ų80.734%0.33640%0.402SS..Hα-helixtrans-63.4-41.7174.4-172.20000112.1L744 I745 K746 A751 C752L744-S748 VanDerWaalsContact O-CB 3.24Å; L744-S748 WeakPolarHBondContact O-CB 3.06Å; L744-S748 PolarHBondContact O-N 3.49Å; I745-S748 PolarHBondContact O-N 3.33Å; K746-S748 VanDerWaalsContact C-N 3.32Å; K746-S748 PolarHBondContact O-N 2.72Å; S748-A751 PolarHBondContact O-N 2.9Å; S748-C752 WeakPolarHBondContact O-CB 3.49Å; S748-C752 PolarHBondContact O-N 3.01Å; S748-C752 PolarHBondContact O-SG 2.88Å
749N78Confident73.5Confident95 Ų9578.7 Ų78.751%0.50840%0.399SS..Hα-helixtrans-69.9-39.6176.9-71.8-21.6000112.3I745 K746 C752 E753I745-N749 WeakPolarHBondContact O-CB 3.39Å; I745-N749 PolarHBondContact O-N 3.29Å; I745-N749 PolarHBondContact O-ND2 3.45Å; K746-N749 PolarHBondContact O-N 2.86Å; N749-C752 PolarHBondContact O-N 3.43Å; N749-E753 WeakPolarHBondContact O-CB 3.39Å; N749-E753 PolarHBondContact O-N 2.9Å
750E77.3Confident73.5Confident96 Ų9678.6 Ų78.645%0.44940%0.398SS..Hα-helixtrans-63.2-40.7174.2-74.5174.2-165.500111.2K746 L747 E753 L754K746-E750 VanDerWaalsContact CE-OE1 3.25Å; K746-E750 WeakPolarHBondContact CE-OE1 3.35Å; K746-E750 WeakPolarHBondContact CG-OE1 3.38Å; K746-E750 WeakPolarHBondContact O-CB 3.41Å; K746-E750 WeakPolarHBondContact O-CG 3.49Å; K746-E750 PolarHBondContact O-N 2.96Å; L747-E750 PolarHBondContact O-N 2.65Å; E750-E753 PolarHBondContact O-N 3.22Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 WeakPolarHBondContact O-CG 3.07Å; E750-L754 PolarHBondContact O-N 2.77Å
751A69.4Low73.4Confident26 Ų2682 Ų8222%0.21542%0.415CS..Hα-helixtrans-63.5-44.317200000112.3L747 S748 L754 L755L747-A751 WeakPolarHBondContact O-CB 3.18Å; L747-A751 PolarHBondContact O-N 2.65Å; S748-A751 PolarHBondContact O-N 2.9Å; A751-L754 PolarHBondContact O-N 3.14Å; A751-L755 WeakPolarHBondContact O-CG 3.44Å; A751-L755 PolarHBondContact O-N 3.4Å
752C71.9Confident73Confident66 Ų6683.1 Ų83.145%0.44642%0.418SS..Hα-helixtrans-64-41.3176.3-68.70000112.6S748 N749 L755 L756S748-C752 WeakPolarHBondContact O-CB 3.49Å; S748-C752 PolarHBondContact O-N 3.01Å; S748-C752 PolarHBondContact O-SG 2.88Å; N749-C752 PolarHBondContact O-N 3.43Å; C752-L755 PolarHBondContact O-N 2.82Å; C752-L756 WeakPolarHBondContact O-CB 3.44Å; C752-L756 PolarHBondContact O-N 3.24Å
753E76.9Confident72.6Confident112 Ų11278 Ų7852%0.52341%0.408SS..Hα-helixtrans-65.8-38.1175.3-98.6-153.5-153.400112.4N749 E750 L756 K757N749-E753 WeakPolarHBondContact O-CB 3.39Å; N749-E753 PolarHBondContact O-N 2.9Å; E750-E753 PolarHBondContact O-N 3.22Å; E753-L756 PolarHBondContact O-N 3.43Å; E753-K757 WeakPolarHBondContact O-CB 3.49Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 PolarHBondContact O-N 3.18Å; E753-K757 IonicContact OE2-NZ 3.88Å; E753-K757 PolarHBondContact OE2-NZ 3.43Å
754L74.5Confident72.4Confident79 Ų7979.7 Ų79.741%0.41442%0.419SS..Hα-helixtrans-67.3-42.3175.9-78.2168.6000111.7L708 E750 A751 K757 Q758L708-L754 HydrophobicContact CD1-CD1 3.64Å; E750-L754 WeakPolarHBondContact O-CB 3.03Å; E750-L754 WeakPolarHBondContact O-CG 3.07Å; E750-L754 PolarHBondContact O-N 2.77Å; A751-L754 PolarHBondContact O-N 3.14Å; L754-K757 PolarHBondContact O-N 3.35Å; L754-Q758 WeakPolarHBondContact O-CB 3.3Å; L754-Q758 VanDerWaalsContact O-CG 3.3Å; L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 2.79Å
755L69.3Low72Confident88 Ų8882.4 Ų82.446%0.46143%0.429SS..Hα-helixtrans-62.9-42.3173.7-72.5170.4000111.9I705 A751 C752 Q758 S759I705-L755 HydrophobicContact CD1-CD2 3.83Å; I705-L755 HydrophobicContact CG1-CD2 4.13Å; A751-L755 WeakPolarHBondContact O-CG 3.44Å; A751-L755 PolarHBondContact O-N 3.4Å; C752-L755 PolarHBondContact O-N 2.82Å; L755-Q758 PolarHBondContact O-N 3.29Å; L755-S759 WeakPolarHBondContact O-CB 3.33Å; L755-S759 PolarHBondContact O-N 2.93Å; L755-S759 PolarHBondContact O-OG 3.43Å
756L74.7Confident71.4Confident105 Ų10582.4 Ų82.455%0.5543%0.43SS..Hα-helixtrans-61.2-51.4174.3-90.5162.6000111.5C752 E753 Q758 S759 E760C752-L756 WeakPolarHBondContact O-CB 3.44Å; C752-L756 PolarHBondContact O-N 3.24Å; E753-L756 PolarHBondContact O-N 3.43Å; L756-Q758 VanDerWaalsContact C-N 3.31Å; L756-Q758 PolarHBondContact O-N 3.4Å; L756-S759 PolarHBondContact O-N 2.82Å; L756-S759 PolarHBondContact O-OG 3.44Å; L756-E760 PolarHBondContact O-N 2.99Å
757K75.5Confident71Confident109 Ų10982.2 Ų82.247%0.47443%0.433SS..Hα-helixtrans-61.1-37178.1-76.7164.6176.2161.60112.7E753 L754 Q761E753-K757 WeakPolarHBondContact O-CB 3.49Å; E753-K757 WeakPolarHBondContact O-CG 3.47Å; E753-K757 PolarHBondContact O-N 3.18Å; E753-K757 IonicContact OE2-NZ 3.88Å; E753-K757 PolarHBondContact OE2-NZ 3.43Å; L754-K757 PolarHBondContact O-N 3.35Å; K757-Q761 WeakPolarHBondContact O-CB 3.3Å; K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.12Å
758Q66.2Low70.7Confident40 Ų4083.4 Ų83.419%0.18744%0.443CS..Hα-helixtrans-68.6-38.6173-76.1178.3-19.900112L754 L755 L756 Q761 L762L754-Q758 WeakPolarHBondContact O-CB 3.3Å; L754-Q758 VanDerWaalsContact O-CG 3.3Å; L754-Q758 WeakPolarHBondContact O-CG 3.48Å; L754-Q758 PolarHBondContact O-N 2.79Å; L755-Q758 PolarHBondContact O-N 3.29Å; L756-Q758 VanDerWaalsContact C-N 3.31Å; L756-Q758 PolarHBondContact O-N 3.4Å; Q758-Q761 PolarHBondContact O-N 3.13Å; Q758-L762 WeakPolarHBondContact O-CB 3.46Å; Q758-L762 WeakPolarHBondContact O-CG 3.43Å; Q758-L762 PolarHBondContact O-N 3.02Å
759S66Low70.3Confident61 Ų6183.6 Ų83.643%0.42744%0.44SS..Hα-helixtrans-66.3-38.6175.276.40000112.6L755 L756 L762 S763L755-S759 WeakPolarHBondContact O-CB 3.33Å; L755-S759 PolarHBondContact O-N 2.93Å; L755-S759 PolarHBondContact O-OG 3.43Å; L756-S759 PolarHBondContact O-N 2.82Å; L756-S759 PolarHBondContact O-OG 3.44Å; S759-L762 PolarHBondContact O-N 3.16Å; S759-S763 WeakPolarHBondContact O-CB 3.3Å; S759-S763 PolarHBondContact O-N 3Å
760E73.3Confident69.9Low121 Ų12186.6 Ų86.657%0.56544%0.444SS*.Hα-helixtrans-68.9-39.5173.3-71-173.3154.100111.5L756 S763 N764L756-E760 PolarHBondContact O-N 2.99Å; E760-S763 PolarHBondContact O-N 3.16Å; E760-N764 WeakPolarHBondContact O-CB 3.47Å; E760-N764 PolarHBondContact O-N 3.06Å; E760-N764 PolarHBondContact O-ND2 3.3Å
761Q68.1Low69.5Low134 Ų13486.6 Ų86.663%0.62645%0.447SS*.Hα-helixtrans-65.3-41.5173.6-79-171.6-27.100112.3K757 Q758 N764 K765K757-Q761 WeakPolarHBondContact O-CB 3.3Å; K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.12Å; Q758-Q761 PolarHBondContact O-N 3.13Å; Q761-N764 PolarHBondContact O-N 3.39Å; Q761-K765 WeakPolarHBondContact O-CB 3.48Å; Q761-K765 WeakPolarHBondContact O-CG 3.35Å; Q761-K765 PolarHBondContact O-N 2.81Å
762L62.4Low69.3Low70 Ų7089.1 Ų89.137%0.36646%0.456SS..Hα-helixtrans-62-46.7173.6-83.9161.9000111.3L698 Q758 S759 N764 K765 L766L698-L762 HydrophobicContact CD1-CD2 4.38Å; L698-L762 HydrophobicContact CD2-CD1 4.32Å; L698-L762 HydrophobicContact CD2-CD2 4.17Å; L698-L762 HydrophobicContact CG-CD2 4.3Å; Q758-L762 WeakPolarHBondContact O-CB 3.46Å; Q758-L762 WeakPolarHBondContact O-CG 3.43Å; Q758-L762 PolarHBondContact O-N 3.02Å; S759-L762 PolarHBondContact O-N 3.16Å; L762-N764 PolarHBondContact O-N 3.14Å; L762-K765 CarbonylContact O-C 3.58Å; L762-K765 PolarHBondContact O-N 3.45Å; L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 PolarHBondContact O-N 3.37Å
763S69.8Low69Low62 Ų6290.6 Ų90.643%0.43446%0.459SS..Hα-helixtrans-59.9-45.3176.2-179.50000112.2S759 E760 K765 L766 N767S759-S763 WeakPolarHBondContact O-CB 3.3Å; S759-S763 PolarHBondContact O-N 3Å; E760-S763 PolarHBondContact O-N 3.16Å; S763-K765 VanDerWaalsContact C-N 3.29Å; S763-K765 PolarHBondContact O-N 3.19Å; S763-L766 PolarHBondContact O-N 3.19Å; S763-N767 PolarHBondContact O-N 2.95Å
764N71.1Confident68.6Low112 Ų11290.1 Ų90.160%0.59946%0.457SS*.Hα-helixtrans-69.2-23177.3-74.6-59.6000113.6E760 Q761 L762 P768E760-N764 WeakPolarHBondContact O-CB 3.47Å; E760-N764 PolarHBondContact O-N 3.06Å; E760-N764 PolarHBondContact O-ND2 3.3Å; Q761-N764 PolarHBondContact O-N 3.39Å; L762-N764 PolarHBondContact O-N 3.14Å; N764-P768 WeakPolarHBondContact O-CD 3.37Å
765K64.8Low68.3Low93 Ų9389.9 Ų89.940%0.40446%0.459SS..Hα-helixtrans-87.5-26.7171.5-74.4-167175-161.80113.8E697 Q761 L762 S763E697-K765 IonicContact OE1-NZ 2.58Å; E697-K765 PolarHBondContact OE1-NZ 2.87Å; E697-K765 IonicContact OE2-NZ 3.78Å; E697-K765 PolarHBondContact OE2-NZ 2.69Å; Q761-K765 WeakPolarHBondContact O-CB 3.48Å; Q761-K765 WeakPolarHBondContact O-CG 3.35Å; Q761-K765 PolarHBondContact O-N 2.81Å; L762-K765 CarbonylContact O-C 3.58Å; L762-K765 PolarHBondContact O-N 3.45Å; S763-K765 VanDerWaalsContact C-N 3.29Å; S763-K765 PolarHBondContact O-N 3.19Å
766L64Low67.9Low85 Ų8587.8 Ų87.845%0.44545%0.454SS..Hα-helixtrans-75.9-36.9173.5-106.473.5000112.6L762 S763 I769 W770L762-L766 WeakPolarHBondContact O-CB 3.3Å; L762-L766 PolarHBondContact O-N 3.37Å; S763-L766 PolarHBondContact O-N 3.19Å; L766-I769 CarbonylContact O-C 3.57Å; L766-I769 WeakPolarHBondContact O-CA 3.49Å; L766-I769 WeakPolarHBondContact O-CB 3.47Å; L766-I769 PolarHBondContact O-N 3.01Å; L766-W770 PolarHBondContact O-N 3.07Å
767N69.6Low67.2Low83 Ų8388.1 Ų88.144%0.44446%0.456SS..Hα-helixtrans-54.9-42.5-178.2-86.3-16.1000114.3S763 I769 W770 N771S763-N767 PolarHBondContact O-N 2.95Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3.35Å; N767-W770 PolarHBondContact O-N 2.89Å; N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 VanDerWaalsContact O-CG 3.27Å; N767-N771 PolarHBondContact O-N 3.26Å; N767-N771 PolarHBondContact O-ND2 2.88Å
768P69.1Low66.7Low66 Ų6688.5 Ų88.543%0.42946%0.46SS..Hα-helixtrans-58-42.7170.5-2735.2000113.4N764 N771 I772N764-P768 WeakPolarHBondContact O-CD 3.37Å; P768-N771 PolarHBondContact O-N 3.15Å; P768-I772 WeakPolarHBondContact O-CB 3.21Å; P768-I772 WeakPolarHBondContact O-CD1 3.37Å; P768-I772 VanDerWaalsContact O-CG1 3.23Å; P768-I772 WeakPolarHBondContact O-CG1 3.49Å; P768-I772 PolarHBondContact O-N 3.27Å
769I64.9Low66.5Low52 Ų5293.4 Ų93.427%0.26748%0.477SS..Hα-helixtrans-69-40.5-179.1-56.4171000110.6I694 L766 N767 I772 L773I694-I769 HydrophobicContact CD1-CD1 3.56Å; L766-I769 CarbonylContact O-C 3.57Å; L766-I769 WeakPolarHBondContact O-CA 3.49Å; L766-I769 WeakPolarHBondContact O-CB 3.47Å; L766-I769 PolarHBondContact O-N 3.01Å; N767-I769 VanDerWaalsContact C-N 3.34Å; N767-I769 PolarHBondContact O-N 3.35Å; I769-I772 PolarHBondContact O-N 3.34Å; I769-L773 HydrophobicContact CG2-CD1 4.26Å; I769-L773 WeakPolarHBondContact O-CB 3.43Å; I769-L773 PolarHBondContact O-N 2.7Å
770W68.6Low66.2Low158 Ų15894.8 Ų94.860%0.59848%0.479SS*.Hα-helixtrans-62.9-45.6172.9-113.8122.6000111.6L766 N767 I772 L773 E774L766-W770 PolarHBondContact O-N 3.07Å; N767-W770 PolarHBondContact O-N 2.89Å; W770-I772 VanDerWaalsContact C-N 3.29Å; W770-I772 PolarHBondContact O-N 2.79Å; W770-L773 HydrophobicContact CE3-CB 4.35Å; W770-L773 PolarHBondContact O-N 3.5Å; W770-E774 WeakPolarHBondContact O-CB 3.29Å; W770-E774 PolarHBondContact O-N 2.81Å
771N70.2Confident65.5Low96 Ų9691.7 Ų91.751%0.51347%0.474SS..Hα-helixtrans-62.4-35.9175.1-72.1-28.9000112.2N767 P768 T775N767-N771 WeakPolarHBondContact O-CB 3.36Å; N767-N771 VanDerWaalsContact O-CG 3.27Å; N767-N771 PolarHBondContact O-N 3.26Å; N767-N771 PolarHBondContact O-ND2 2.88Å; P768-N771 PolarHBondContact O-N 3.15Å; N771-T775 VanDerWaalsContact O-CB 3.24Å; N771-T775 WeakPolarHBondContact O-CB 3.38Å; N771-T775 PolarHBondContact O-N 3.29Å; N771-T775 PolarHBondContact O-OG1 2.87Å
772I64.9Low65.2Low79 Ų7990.2 Ų90.241%0.40547%0.47SS..Hα-helixtrans-68.5-44.3175.2-71.9164.2000110.6P768 I769 W770 T775 A776P768-I772 WeakPolarHBondContact O-CB 3.21Å; P768-I772 WeakPolarHBondContact O-CD1 3.37Å; P768-I772 VanDerWaalsContact O-CG1 3.23Å; P768-I772 WeakPolarHBondContact O-CG1 3.49Å; P768-I772 PolarHBondContact O-N 3.27Å; I769-I772 PolarHBondContact O-N 3.34Å; W770-I772 VanDerWaalsContact C-N 3.29Å; W770-I772 PolarHBondContact O-N 2.79Å; I772-T775 PolarHBondContact O-N 3.43Å; I772-A776 VanDerWaalsContact O-CB 3.27Å; I772-A776 WeakPolarHBondContact O-CB 3.48Å; I772-A776 PolarHBondContact O-N 2.85Å
773L64.5Low64.9Low98 Ų9890.2 Ų90.251%0.51347%0.469SS..Hα-helixtrans-59.5-50.2173.5-87162.3000111.5I769 W770 T775 A776 D777I769-L773 HydrophobicContact CG2-CD1 4.26Å; I769-L773 WeakPolarHBondContact O-CB 3.43Å; I769-L773 PolarHBondContact O-N 2.7Å; W770-L773 HydrophobicContact CE3-CB 4.35Å; W770-L773 PolarHBondContact O-N 3.5Å; L773-T775 VanDerWaalsContact C-N 3.3Å; L773-T775 PolarHBondContact O-N 2.82Å; L773-A776 CarbonylContact O-C 3.56Å; L773-A776 WeakPolarHBondContact O-CB 3.27Å; L773-A776 PolarHBondContact O-N 2.81Å; L773-A776 VanDerWaalsContact O-N 3.08Å; L773-D777 WeakPolarHBondContact O-CB 3.28Å; L773-D777 PolarHBondContact O-N 2.85Å
774E68.4Low64.2Low102 Ų10291.3 Ų91.348%0.47747%0.47SS..Hα-helixtrans-63.6-36.2178.7-166.1179.1169.700111.6W770 Q778W770-E774 WeakPolarHBondContact O-CB 3.29Å; W770-E774 PolarHBondContact O-N 2.81Å; E774-Q778 WeakPolarHBondContact O-CB 3.32Å; E774-Q778 WeakPolarHBondContact O-CG 3.36Å; E774-Q778 PolarHBondContact O-N 3.46Å
775T68.8Low63.8Low74 Ų7490.1 Ų90.145%0.45447%0.467SS..Hα-helixtrans-69.6-34172.6-56.40000112.3N771 I772 L773 R779N771-T775 VanDerWaalsContact O-CB 3.24Å; N771-T775 WeakPolarHBondContact O-CB 3.38Å; N771-T775 PolarHBondContact O-N 3.29Å; N771-T775 PolarHBondContact O-OG1 2.87Å; I772-T775 PolarHBondContact O-N 3.43Å; L773-T775 VanDerWaalsContact C-N 3.3Å; L773-T775 PolarHBondContact O-N 2.82Å; T775-R779 VanDerWaalsContact O-CB 3.3Å; T775-R779 WeakPolarHBondContact O-CB 3.29Å; T775-R779 VanDerWaalsContact O-CG 3.26Å; T775-R779 WeakPolarHBondContact O-CG 3.32Å; T775-R779 PolarHBondContact O-N 3.34Å
776A60.2Low63.6Low43 Ų4390.1 Ų90.136%0.35547%0.472SS..Hα-helixtrans-71.8-38.2175.800000111.5I772 L773 R779 L780I772-A776 VanDerWaalsContact O-CB 3.27Å; I772-A776 WeakPolarHBondContact O-CB 3.48Å; I772-A776 PolarHBondContact O-N 2.85Å; L773-A776 CarbonylContact O-C 3.56Å; L773-A776 WeakPolarHBondContact O-CB 3.27Å; L773-A776 PolarHBondContact O-N 2.81Å; L773-A776 VanDerWaalsContact O-N 3.08Å; A776-R779 CarbonylContact O-C 3.57Å; A776-R779 WeakPolarHBondContact O-CB 3.29Å; A776-R779 PolarHBondContact O-N 2.77Å; A776-L780 WeakPolarHBondContact O-CB 3.5Å; A776-L780 WeakPolarHBondContact O-CG 3.22Å; A776-L780 PolarHBondContact O-N 2.63Å
777D61.1Low63.3Low112 Ų11289.9 Ų89.960%0.59947%0.47SS*.Hα-helixtrans-71.4-43.3178.1-15441.4000111.1L773 R779 L780 A781L773-D777 WeakPolarHBondContact O-CB 3.28Å; L773-D777 PolarHBondContact O-N 2.85Å; D777-R779 VanDerWaalsContact C-N 3.27Å; D777-R779 PolarHBondContact O-N 3.24Å; D777-L780 PolarHBondContact O-N 3.35Å; D777-L780 VanDerWaalsContact O-N 3.15Å; D777-A781 WeakPolarHBondContact O-CB 3.47Å; D777-A781 PolarHBondContact O-N 2.91Å
778Q65.7Low62.5Low117 Ų11790.4 Ų90.455%0.54747%0.473SS..Hα-helixtrans-59.6-36.7168.5-72.6172.920.400112.2E774 L782E774-Q778 WeakPolarHBondContact O-CB 3.32Å; E774-Q778 WeakPolarHBondContact O-CG 3.36Å; E774-Q778 PolarHBondContact O-N 3.46Å; Q778-L782 WeakPolarHBondContact O-CB 3.24Å; Q778-L782 PolarHBondContact O-N 2.97Å
779R60.5Low62.3Low144 Ų14490.2 Ų90.254%0.54347%0.473SS..Hα-helixtrans-69.2-39.8172.9-85.5174.7151.3-167.7-3112.6T775 A776 D777 L782 I783T775-R779 VanDerWaalsContact O-CB 3.3Å; T775-R779 WeakPolarHBondContact O-CB 3.29Å; T775-R779 VanDerWaalsContact O-CG 3.26Å; T775-R779 WeakPolarHBondContact O-CG 3.32Å; T775-R779 PolarHBondContact O-N 3.34Å; A776-R779 CarbonylContact O-C 3.57Å; A776-R779 WeakPolarHBondContact O-CB 3.29Å; A776-R779 PolarHBondContact O-N 2.77Å; D777-R779 VanDerWaalsContact C-N 3.27Å; D777-R779 PolarHBondContact O-N 3.24Å; R779-L782 PolarHBondContact O-N 2.98Å; R779-I783 VanDerWaalsContact O-CB 3.28Å; R779-I783 WeakPolarHBondContact O-CB 3.43Å; R779-I783 WeakPolarHBondContact O-CD1 3.29Å; R779-I783 WeakPolarHBondContact O-CG1 3.28Å; R779-I783 PolarHBondContact O-N 2.85Å
780L59.8Low62.1Low89 Ų8991.9 Ų91.947%0.46649%0.486SS..Hα-helixtrans-65.3-41.1175.5-81.7163.6000111A776 D777 L782 I783 N784A776-L780 WeakPolarHBondContact O-CB 3.5Å; A776-L780 WeakPolarHBondContact O-CG 3.22Å; A776-L780 PolarHBondContact O-N 2.63Å; D777-L780 PolarHBondContact O-N 3.35Å; D777-L780 VanDerWaalsContact O-N 3.15Å; L780-L782 PolarHBondContact O-N 3.02Å; L780-I783 PolarHBondContact O-N 3.46Å; L780-N784 VanDerWaalsContact O-CB 3.3Å; L780-N784 WeakPolarHBondContact O-CB 3.25Å; L780-N784 VanDerWaalsContact O-CG 3.24Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-OD1 2.92Å
781A58.8Low61.6Low56 Ų5688.6 Ų88.646%0.46348%0.479SS..Hα-helixtrans-61.2-42.6172.100000112.3D777 T785D777-A781 WeakPolarHBondContact O-CB 3.47Å; D777-A781 PolarHBondContact O-N 2.91Å; A781-T785 WeakPolarHBondContact O-CB 3.11Å; A781-T785 WeakPolarHBondContact O-CG2 3.37Å; A781-T785 PolarHBondContact O-N 3.49Å; A781-T785 PolarHBondContact O-OG1 3.35Å
782L61.1Low61.4Low103 Ų10388.1 Ų88.154%0.53948%0.479SS..Hα-helixtrans-70.4-33.8176.4-165.270.2000112.4Q778 R779 L780 T785 N786Q778-L782 WeakPolarHBondContact O-CB 3.24Å; Q778-L782 PolarHBondContact O-N 2.97Å; R779-L782 PolarHBondContact O-N 2.98Å; L780-L782 PolarHBondContact O-N 3.02Å; L782-T785 WeakPolarHBondContact CA-OG1 3.37Å; L782-T785 PolarHBondContact O-OG1 3.11Å; L782-N786 PolarHBondContact O-N 2.89Å; L782-N786 PolarHBondContact O-ND2 3.15Å
783I56.1Low61.5Low70 Ų7088.6 Ų88.636%0.35949%0.486SS..Hα-helixtrans-69.8-48.9175-75.7165.7000109.9R779 L780 T785 N786 I787R779-I783 VanDerWaalsContact O-CB 3.28Å; R779-I783 WeakPolarHBondContact O-CB 3.43Å; R779-I783 WeakPolarHBondContact O-CD1 3.29Å; R779-I783 WeakPolarHBondContact O-CG1 3.28Å; R779-I783 PolarHBondContact O-N 2.85Å; L780-I783 PolarHBondContact O-N 3.46Å; I783-T785 PolarHBondContact O-N 3.34Å; I783-N786 PolarHBondContact O-N 2.82Å; I783-I787 HydrophobicContact CG2-CD1 3.51Å; I783-I787 HydrophobicContact CG2-CG1 4.19Å; I783-I787 WeakPolarHBondContact O-CB 3.48Å; I783-I787 WeakPolarHBondContact O-CG1 3.49Å; I783-I787 PolarHBondContact O-N 3.2Å
784N55.7Low61.4Low86 Ų8686.4 Ų86.446%0.4648%0.477SS..Hα-helixtrans-61.2-45.4179.1-72.5-0.7000111.4L780 N786 I787 D788L780-N784 VanDerWaalsContact O-CB 3.3Å; L780-N784 WeakPolarHBondContact O-CB 3.25Å; L780-N784 VanDerWaalsContact O-CG 3.24Å; L780-N784 PolarHBondContact O-N 2.88Å; L780-N784 PolarHBondContact O-OD1 2.92Å; N784-N786 VanDerWaalsContact C-N 3.32Å; N784-N786 PolarHBondContact O-N 2.91Å; N784-I787 CarbonylContact O-C 3.5Å; N784-I787 PolarHBondContact O-N 2.86Å; N784-D788 WeakPolarHBondContact O-CB 3.32Å; N784-D788 VanDerWaalsContact O-CG 3.32Å; N784-D788 PolarHBondContact O-N 3.41Å
785T62.4Low61.1Low86 Ų8685 Ų8553%0.52848%0.477SS..Hα-helixtrans-63.8-34.1176.846.70000113.6A781 L782 I783 S789A781-T785 WeakPolarHBondContact O-CB 3.11Å; A781-T785 WeakPolarHBondContact O-CG2 3.37Å; A781-T785 PolarHBondContact O-N 3.49Å; A781-T785 PolarHBondContact O-OG1 3.35Å; L782-T785 WeakPolarHBondContact CA-OG1 3.37Å; L782-T785 PolarHBondContact O-OG1 3.11Å; I783-T785 PolarHBondContact O-N 3.34Å; T785-S789 PolarHBondContact O-N 3.05Å
786N61.7Low61Low94 Ų9488 Ų8850%0.50348%0.484SS..Hα-helixtrans-72.1-43171.5-81.6-80.5000111.8L782 I783 N784 S789 V790L782-N786 PolarHBondContact O-N 2.89Å; L782-N786 PolarHBondContact O-ND2 3.15Å; I783-N786 PolarHBondContact O-N 2.82Å; N784-N786 VanDerWaalsContact C-N 3.32Å; N784-N786 PolarHBondContact O-N 2.91Å; N786-S789 PolarHBondContact O-N 3.15Å; N786-S789 PolarHBondContact O-OG 3.47Å; N786-V790 WeakPolarHBondContact O-CG2 3.32Å; N786-V790 PolarHBondContact O-N 3.18Å
787I57.5Low61.3Low80 Ų8093 Ų9341%0.4149%0.493SS..Hα-helixtrans-61.7-45.4176.8-74.9178000110.5I783 N784 S789 V790 L791I783-I787 HydrophobicContact CG2-CD1 3.51Å; I783-I787 HydrophobicContact CG2-CG1 4.19Å; I783-I787 WeakPolarHBondContact O-CB 3.48Å; I783-I787 WeakPolarHBondContact O-CG1 3.49Å; I783-I787 PolarHBondContact O-N 3.2Å; N784-I787 CarbonylContact O-C 3.5Å; N784-I787 PolarHBondContact O-N 2.86Å; I787-S789 VanDerWaalsContact C-N 3.3Å; I787-S789 PolarHBondContact O-N 3.42Å; I787-V790 CarbonylContact O-C 3.52Å; I787-V790 PolarHBondContact O-N 3.09Å; I787-V790 VanDerWaalsContact O-N 3.1Å; I787-L791 HydrophobicContact CG2-CD1 3.58Å; I787-L791 HydrophobicContact CG2-CG 3.92Å; I787-L791 WeakPolarHBondContact O-CB 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.35Å; I787-L791 PolarHBondContact O-N 2.77Å
788D52.7Low61.5Low93 Ų9394.1 Ų94.150%0.49749%0.494SS..Hα-helixtrans-58.5-41.6174.8-75.2-25.9000111.4N784 V790 L791 V792N784-D788 WeakPolarHBondContact O-CB 3.32Å; N784-D788 VanDerWaalsContact O-CG 3.32Å; N784-D788 PolarHBondContact O-N 3.41Å; D788-V790 VanDerWaalsContact C-N 3.33Å; D788-V790 PolarHBondContact O-N 2.84Å; D788-L791 PolarHBondContact O-N 3.05Å; D788-V792 WeakPolarHBondContact O-CB 3.38Å; D788-V792 VanDerWaalsContact O-CG2 3.26Å; D788-V792 WeakPolarHBondContact O-CG2 3.41Å; D788-V792 PolarHBondContact O-N 3.48Å
789S63.6Low61.5Low63 Ų6395 Ų9544%0.44150%0.498SS..Hα-helixtrans-63.6-39.2175.981.80000112.3T785 N786 I787 V793T785-S789 PolarHBondContact O-N 3.05Å; N786-S789 PolarHBondContact O-N 3.15Å; N786-S789 PolarHBondContact O-OG 3.47Å; I787-S789 VanDerWaalsContact C-N 3.3Å; I787-S789 PolarHBondContact O-N 3.42Å; S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.25Å
790V60.9Low61.8Low87 Ų8792.5 Ų92.553%0.52750%0.498SS..Hα-helixtrans-73.3-39.6177.2172.20000111.3N786 I787 D788 V793 T794N786-V790 WeakPolarHBondContact O-CG2 3.32Å; N786-V790 PolarHBondContact O-N 3.18Å; I787-V790 CarbonylContact O-C 3.52Å; I787-V790 PolarHBondContact O-N 3.09Å; I787-V790 VanDerWaalsContact O-N 3.1Å; D788-V790 VanDerWaalsContact C-N 3.33Å; D788-V790 PolarHBondContact O-N 2.84Å; V790-V793 PolarHBondContact O-N 3.06Å; V790-T794 WeakPolarHBondContact O-CB 3.45Å; V790-T794 PolarHBondContact O-N 2.93Å; V790-T794 PolarHBondContact O-OG1 2.98Å
791L58.9Low62.3Low88 Ų8894.2 Ų94.246%0.46150%0.499SS..Hα-helixtrans-67.6-42176.3-73.6178.2000110.7I787 D788 V793 T794 C795I787-L791 HydrophobicContact CG2-CD1 3.58Å; I787-L791 HydrophobicContact CG2-CG 3.92Å; I787-L791 WeakPolarHBondContact O-CB 3.32Å; I787-L791 WeakPolarHBondContact O-CG 3.35Å; I787-L791 PolarHBondContact O-N 2.77Å; D788-L791 PolarHBondContact O-N 3.05Å; L791-V793 VanDerWaalsContact C-N 3.34Å; L791-V793 PolarHBondContact O-N 3.16Å; L791-T794 PolarHBondContact O-N 3.01Å; L791-C795 WeakPolarHBondContact O-CA 3.41Å; L791-C795 WeakPolarHBondContact O-CB 3.22Å; L791-C795 PolarHBondContact O-N 3.21Å; L791-C795 PolarHBondContact O-SG 3.06Å
792V66.7Low62.6Low86 Ų8694.1 Ų94.152%0.52150%0.499SS..Hα-helixtrans-63.7-39.1175.5168.50000111.5D788 K796D788-V792 WeakPolarHBondContact O-CB 3.38Å; D788-V792 VanDerWaalsContact O-CG2 3.26Å; D788-V792 WeakPolarHBondContact O-CG2 3.41Å; D788-V792 PolarHBondContact O-N 3.48Å; V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.32Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.72Å; V792-K796 VanDerWaalsContact O-N 3.08Å
793V66Low63.1Low90 Ų9092.4 Ų92.455%0.54549%0.493SS..Hα-helixtrans-69.8-42.4174.31710000111.5S789 V790 L791 K796 R797S789-V793 WeakPolarHBondContact O-CG2 3.44Å; S789-V793 PolarHBondContact O-N 3.25Å; V790-V793 PolarHBondContact O-N 3.06Å; L791-V793 VanDerWaalsContact C-N 3.34Å; L791-V793 PolarHBondContact O-N 3.16Å; V793-K796 PolarHBondContact O-N 2.75Å; V793-R797 PolarHBondContact O-N 2.98Å
794T63.5Low64Low52 Ų5291.6 Ų91.632%0.31949%0.493SS..Hα-helixtrans-71.5-42.6-178-56.10000111.7V790 L791 R797 F798V790-T794 WeakPolarHBondContact O-CB 3.45Å; V790-T794 PolarHBondContact O-N 2.93Å; V790-T794 PolarHBondContact O-OG1 2.98Å; L791-T794 PolarHBondContact O-N 3.01Å; T794-R797 PolarHBondContact O-N 2.92Å; T794-F798 HydrophobicContact CG2-CD2 3.67Å; T794-F798 HydrophobicContact CG2-CE2 3.45Å; T794-F798 VanDerWaalsContact CG2-CE2 3.45Å; T794-F798 HydrophobicContact CG2-CZ 4.37Å; T794-F798 WeakPolarHBondContact O-CD2 3.36Å; T794-F798 PolarHBondContact O-N 3.14Å
795C62.1Low64.6Low71 Ų7191 Ų9148%0.4849%0.493SS..Hα-helixtrans-63.4-37.5171.7-70.10000111.8L791 F798 Q799L791-C795 WeakPolarHBondContact O-CA 3.41Å; L791-C795 WeakPolarHBondContact O-CB 3.22Å; L791-C795 PolarHBondContact O-N 3.21Å; L791-C795 PolarHBondContact O-SG 3.06Å; C795-F798 PolarHBondContact O-N 2.77Å; C795-Q799 VanDerWaalsContact O-CB 3.23Å; C795-Q799 WeakPolarHBondContact O-CB 3.47Å; C795-Q799 PolarHBondContact O-N 2.92Å
796K66.6Low64.9Low138 Ų13892.6 Ų92.660%0.649%0.494SS*.Hα-helixtrans-62.7-43.6171-81.9-177.1176.1-173.70112.1V792 V793 Q799 T800V792-K796 WeakPolarHBondContact O-CB 3.42Å; V792-K796 VanDerWaalsContact O-CG 3.32Å; V792-K796 WeakPolarHBondContact O-CG 3.29Å; V792-K796 PolarHBondContact O-N 2.72Å; V792-K796 VanDerWaalsContact O-N 3.08Å; V793-K796 PolarHBondContact O-N 2.75Å; K796-Q799 PolarHBondContact O-N 2.96Å; K796-T800 PolarHBondContact O-N 3.04Å; K796-T800 PolarHBondContact O-OG1 3.33Å
797R66.4Low65.4Low147 Ų14793.4 Ų93.456%0.55550%0.495SS*.Hα-helixtrans-63.3-45.3174.2-71.6-175.370.9170.90.8112V793 T794 Q799 T800 Y801V793-R797 PolarHBondContact O-N 2.98Å; T794-R797 PolarHBondContact O-N 2.92Å; R797-Q799 VanDerWaalsContact C-N 3.3Å; R797-Q799 PolarHBondContact O-N 3.28Å; R797-T800 PolarHBondContact O-N 3.16Å; R797-Y801 HydrophobicContact CB-CD2 4.39Å; R797-Y801 HydrophobicContact CB-CE2 4.09Å; R797-Y801 PolarHBondContact NH2-OH 2.68Å; R797-Y801 WeakPolarHBondContact O-CD2 3.38Å; R797-Y801 PolarHBondContact O-N 2.66Å
798F64.6Low66.1Low137 Ų13794.6 Ų94.660%0.60150%0.502SS*.Hα-helixtrans-62.4-35.3174.9-79.6-51.3000112.6T794 C795 Y801 A802T794-F798 HydrophobicContact CG2-CD2 3.67Å; T794-F798 HydrophobicContact CG2-CE2 3.45Å; T794-F798 VanDerWaalsContact CG2-CE2 3.45Å; T794-F798 HydrophobicContact CG2-CZ 4.37Å; T794-F798 WeakPolarHBondContact O-CD2 3.36Å; T794-F798 PolarHBondContact O-N 3.14Å; C795-F798 PolarHBondContact O-N 2.77Å; F798-Y801 PolarHBondContact O-N 3.19Å; F798-A802 WeakPolarHBondContact O-CB 3.39Å; F798-A802 PolarHBondContact O-N 3.49Å
799Q66.7Low66.9Low136 Ų13695.7 Ų95.764%0.63650%0.504SS*.Hα-helixtrans-71.4-38.1175.9-166.6166.217.800111.5C795 K796 R797 A802 T803C795-Q799 VanDerWaalsContact O-CB 3.23Å; C795-Q799 WeakPolarHBondContact O-CB 3.47Å; C795-Q799 PolarHBondContact O-N 2.92Å; K796-Q799 PolarHBondContact O-N 2.96Å; R797-Q799 VanDerWaalsContact C-N 3.3Å; R797-Q799 PolarHBondContact O-N 3.28Å; Q799-A802 PolarHBondContact O-N 2.85Å; Q799-T803 PolarHBondContact O-N 3.27Å; Q799-T803 PolarHBondContact O-OG1 3.36Å
800T66.8Low67.3Low91 Ų9197.3 Ų97.356%0.55851%0.508SS*.Hα-helixtrans-61.5-48169.2-50.30000111.3K796 R797 A802 T803 S804K796-T800 PolarHBondContact O-N 3.04Å; K796-T800 PolarHBondContact O-OG1 3.33Å; R797-T800 PolarHBondContact O-N 3.16Å; T800-A802 VanDerWaalsContact C-N 3.31Å; T800-A802 PolarHBondContact O-N 3.36Å; T800-T803 PolarHBondContact O-N 3.1Å; T800-S804 PolarHBondContact O-N 3.38Å; T800-S804 PolarHBondContact O-OG 3.35Å
801Y68.8Low68Low124 Ų12497.9 Ų97.949%0.48651%0.505SS..Hα-helixtrans-63.3-35.7176.6-66.9-49.6000112.4R797 F798 S804 V805R797-Y801 HydrophobicContact CB-CD2 4.39Å; R797-Y801 HydrophobicContact CB-CE2 4.09Å; R797-Y801 PolarHBondContact NH2-OH 2.68Å; R797-Y801 WeakPolarHBondContact O-CD2 3.38Å; R797-Y801 PolarHBondContact O-N 2.66Å; F798-Y801 PolarHBondContact O-N 3.19Å; Y801-S804 PolarHBondContact O-N 2.95Å; Y801-V805 WeakPolarHBondContact O-CB 3.3Å; Y801-V805 VanDerWaalsContact O-CG2 3.27Å; Y801-V805 WeakPolarHBondContact O-CG2 3.45Å; Y801-V805 PolarHBondContact O-N 3.22Å
802A65.6Low68.5Low55 Ų5597.9 Ų97.946%0.45551%0.505SS..Hα-helixtrans-64.5-47.817500000111.1F798 Q799 T800 S804 V805 E806F798-A802 WeakPolarHBondContact O-CB 3.39Å; F798-A802 PolarHBondContact O-N 3.49Å; Q799-A802 PolarHBondContact O-N 2.85Å; T800-A802 VanDerWaalsContact C-N 3.31Å; T800-A802 PolarHBondContact O-N 3.36Å; A802-S804 VanDerWaalsContact C-N 3.33Å; A802-S804 PolarHBondContact O-N 3.47Å; A802-V805 PolarHBondContact O-N 3.33Å; A802-E806 VanDerWaalsContact O-CB 3.27Å; A802-E806 WeakPolarHBondContact O-CB 3.3Å; A802-E806 PolarHBondContact O-N 3.04Å
803T72.5Confident68.6Low67 Ų6798 Ų9841%0.41151%0.506SS..Hα-helixtrans-62.7-38.2175.3-560000112Q799 T800 E806 Q807Q799-T803 PolarHBondContact O-N 3.27Å; Q799-T803 PolarHBondContact O-OG1 3.36Å; T800-T803 PolarHBondContact O-N 3.1Å; T803-E806 PolarHBondContact O-N 2.97Å; T803-Q807 WeakPolarHBondContact O-CG 3.35Å; T803-Q807 PolarHBondContact O-N 3.29Å
804S73.7Confident69Low52 Ų5298.6 Ų98.636%0.36451%0.505SS..Hα-helixtrans-66.9-38.5173.4-61.20000112.9T800 Y801 A802 Q807 L808T800-S804 PolarHBondContact O-N 3.38Å; T800-S804 PolarHBondContact O-OG 3.35Å; Y801-S804 PolarHBondContact O-N 2.95Å; A802-S804 VanDerWaalsContact C-N 3.33Å; A802-S804 PolarHBondContact O-N 3.47Å; S804-Q807 PolarHBondContact O-N 2.91Å; S804-L808 WeakPolarHBondContact O-CB 3.16Å; S804-L808 VanDerWaalsContact O-CG 3.29Å; S804-L808 WeakPolarHBondContact O-CG 3.1Å; S804-L808 PolarHBondContact O-N 3.01Å
805V69.2Low69.4Low75 Ų75101.5 Ų101.546%0.45552%0.517SS..Hα-helixtrans-67.4-37.3173.7166.80000111.1Y801 A802 L808 Q809Y801-V805 WeakPolarHBondContact O-CB 3.3Å; Y801-V805 VanDerWaalsContact O-CG2 3.27Å; Y801-V805 WeakPolarHBondContact O-CG2 3.45Å; Y801-V805 PolarHBondContact O-N 3.22Å; A802-V805 PolarHBondContact O-N 3.33Å; V805-L808 PolarHBondContact O-N 3.12Å; V805-Q809 HydrophobicContact CG1-CG 4.29Å; V805-Q809 VanDerWaalsContact O-CB 3.26Å; V805-Q809 WeakPolarHBondContact O-CB 2.89Å; V805-Q809 WeakPolarHBondContact O-CG 3.43Å; V805-Q809 PolarHBondContact O-N 2.92Å
806E69.5Low69.8Low119 Ų119103.9 Ų103.956%0.55652%0.52SS*.Hα-helixtrans-68.5-37.9176.7-168.9170.1-137.100111.4A802 T803 Q809 N810A802-E806 VanDerWaalsContact O-CB 3.27Å; A802-E806 WeakPolarHBondContact O-CB 3.3Å; A802-E806 PolarHBondContact O-N 3.04Å; T803-E806 PolarHBondContact O-N 2.97Å; E806-Q809 PolarHBondContact O-N 3.41Å; E806-N810 PolarHBondContact O-N 3.03Å; E806-N810 PolarHBondContact O-ND2 3.32Å
807Q71.4Confident70Confident110 Ų110100.6 Ų100.651%0.51451%0.514SS..Hα-helixtrans-62.5-51.8168-74.6-175.2-9200111.7T803 S804 Q809 N810 E811T803-Q807 WeakPolarHBondContact O-CG 3.35Å; T803-Q807 PolarHBondContact O-N 3.29Å; S804-Q807 PolarHBondContact O-N 2.91Å; Q807-Q809 PolarHBondContact O-N 2.67Å; Q807-N810 WeakPolarHBondContact O-CB 3.33Å; Q807-N810 PolarHBondContact O-N 3.25Å; Q807-E811 PolarHBondContact O-N 2.98Å
808L72.1Confident70.2Confident106 Ų10697.2 Ų97.256%0.55551%0.507SS*.Hα-helixtrans-62-30.8178-72.1169.1000112.6S804 V805 L812S804-L808 WeakPolarHBondContact O-CB 3.16Å; S804-L808 VanDerWaalsContact O-CG 3.29Å; S804-L808 WeakPolarHBondContact O-CG 3.1Å; S804-L808 PolarHBondContact O-N 3.01Å; V805-L808 PolarHBondContact O-N 3.12Å; L808-L812 WeakPolarHBondContact O-CB 3.45Å; L808-L812 PolarHBondContact O-N 2.7Å
809Q68.8Low70.3Confident115 Ų11596.5 Ų96.554%0.53751%0.509SS..Hα-helixtrans-71.7-37.4173.2-80.2175.5-31.800112.1V805 E806 Q807 T813V805-Q809 HydrophobicContact CG1-CG 4.29Å; V805-Q809 VanDerWaalsContact O-CB 3.26Å; V805-Q809 WeakPolarHBondContact O-CB 2.89Å; V805-Q809 WeakPolarHBondContact O-CG 3.43Å; V805-Q809 PolarHBondContact O-N 2.92Å; E806-Q809 PolarHBondContact O-N 3.41Å; Q807-Q809 PolarHBondContact O-N 2.67Å; Q809-T813 VanDerWaalsContact O-CB 3.29Å; Q809-T813 WeakPolarHBondContact O-CB 3.19Å; Q809-T813 PolarHBondContact O-N 3.05Å; Q809-T813 PolarHBondContact O-OG1 2.61Å
810N73.6Confident70.5Confident98 Ų9894 Ų9452%0.52450%0.502SS..Hα-helixtrans-66.5-46.1172.2-75.2-50.5000111.2E806 Q807 L812 T813 I814E806-N810 PolarHBondContact O-N 3.03Å; E806-N810 PolarHBondContact O-ND2 3.32Å; Q807-N810 WeakPolarHBondContact O-CB 3.33Å; Q807-N810 PolarHBondContact O-N 3.25Å; N810-L812 PolarHBondContact O-N 3.43Å; N810-T813 WeakPolarHBondContact O-CB 2.82Å; N810-T813 PolarHBondContact O-N 2.73Å; N810-T813 VanDerWaalsContact O-N 3.07Å; N810-I814 WeakPolarHBondContact O-CG1 3.44Å; N810-I814 PolarHBondContact O-N 3.03Å
811E73.9Confident70.8Confident99 Ų9993.1 Ų93.146%0.46350%0.497SS..Hα-helixtrans-60.1-44.6174.5-71.8170.7-164.700111.9Q807 T813 I814 L815Q807-E811 PolarHBondContact O-N 2.98Å; E811-T813 VanDerWaalsContact C-N 3.26Å; E811-T813 PolarHBondContact O-N 2.77Å; E811-I814 PolarHBondContact O-N 2.98Å; E811-L815 WeakPolarHBondContact O-CB 3.17Å; E811-L815 WeakPolarHBondContact O-CG 3.35Å; E811-L815 PolarHBondContact O-N 3.39Å
812L69.5Low70.9Confident88 Ų8895.8 Ų95.846%0.46151%0.506SS..Hα-helixtrans-64.1-29.8173.8-171.473.7000112.4L808 N810 K816L808-L812 WeakPolarHBondContact O-CB 3.45Å; L808-L812 PolarHBondContact O-N 2.7Å; N810-L812 PolarHBondContact O-N 3.43Å; L812-K816 HydrophobicContact CG-CD 4.42Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.33Å; L812-K816 WeakPolarHBondContact O-CD 2.71Å; L812-K816 WeakPolarHBondContact O-CG 2.93Å; L812-K816 PolarHBondContact O-N 3.36Å
813T69.5Low71.4Confident89 Ų8997.4 Ų97.455%0.54651%0.507SS..Hα-helixtrans-76.4-39.2177.5-59.80000111.3Q809 N810 E811 K816 S817Q809-T813 VanDerWaalsContact O-CB 3.29Å; Q809-T813 WeakPolarHBondContact O-CB 3.19Å; Q809-T813 PolarHBondContact O-N 3.05Å; Q809-T813 PolarHBondContact O-OG1 2.61Å; N810-T813 WeakPolarHBondContact O-CB 2.82Å; N810-T813 PolarHBondContact O-N 2.73Å; N810-T813 VanDerWaalsContact O-N 3.07Å; E811-T813 VanDerWaalsContact C-N 3.26Å; E811-T813 PolarHBondContact O-N 2.77Å; T813-K816 PolarHBondContact O-N 2.79Å; T813-S817 PolarHBondContact O-N 2.75Å
814I75.2Confident71.4Confident102 Ų10297.9 Ų97.952%0.52351%0.507SS..Hα-helixtrans-62.7-52.1170.5-65.9164.3000109.6N810 E811 K816 S817 D818N810-I814 WeakPolarHBondContact O-CG1 3.44Å; N810-I814 PolarHBondContact O-N 3.03Å; E811-I814 PolarHBondContact O-N 2.98Å; I814-K816 VanDerWaalsContact C-N 3.25Å; I814-K816 PolarHBondContact O-N 2.78Å; I814-S817 CarbonylContact O-C 3.59Å; I814-S817 WeakPolarHBondContact O-CA 2.99Å; I814-S817 VanDerWaalsContact O-CB 3.3Å; I814-S817 WeakPolarHBondContact O-CB 3.01Å; I814-S817 PolarHBondContact O-N 2.88Å; I814-D818 PolarHBondContact O-N 3.24Å
815L71.8Confident71.4Confident112 Ų11299.3 Ų99.359%0.58651%0.514SS*.Hα-helixtrans-58.8-33.6176.8-79.4167000113E811 L819E811-L815 WeakPolarHBondContact O-CB 3.17Å; E811-L815 WeakPolarHBondContact O-CG 3.35Å; E811-L815 PolarHBondContact O-N 3.39Å; L815-L819 VanDerWaalsContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3.47Å
816K70.5Confident71.5Confident122 Ų12299.3 Ų99.353%0.5351%0.514SS..Hα-helixtrans-69.5-39.2171.3-81.1171179.7175.80112.5L812 T813 I814 D818 L819 V820L812-K816 HydrophobicContact CG-CD 4.42Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.33Å; L812-K816 WeakPolarHBondContact O-CD 2.71Å; L812-K816 WeakPolarHBondContact O-CG 2.93Å; L812-K816 PolarHBondContact O-N 3.36Å; T813-K816 PolarHBondContact O-N 2.79Å; I814-K816 VanDerWaalsContact C-N 3.25Å; I814-K816 PolarHBondContact O-N 2.78Å; K816-D818 VanDerWaalsContact C-N 3.35Å; K816-L819 PolarHBondContact O-N 3.16Å; K816-V820 WeakPolarHBondContact O-CB 3.47Å; K816-V820 VanDerWaalsContact O-CG2 3.27Å; K816-V820 WeakPolarHBondContact O-CG2 3.32Å; K816-V820 PolarHBondContact O-N 3.43Å
817S70.5Confident71.7Confident68 Ų6896.9 Ų96.948%0.47650%0.504SS..Hα-helixtrans-62.6-42.5173.4-171.30000111.4T813 I814 V820 T821T813-S817 PolarHBondContact O-N 2.75Å; I814-S817 CarbonylContact O-C 3.59Å; I814-S817 WeakPolarHBondContact O-CA 2.99Å; I814-S817 VanDerWaalsContact O-CB 3.3Å; I814-S817 WeakPolarHBondContact O-CB 3.01Å; I814-S817 PolarHBondContact O-N 2.88Å; S817-V820 PolarHBondContact O-N 3.26Å; S817-T821 WeakPolarHBondContact O-CB 3.1Å; S817-T821 WeakPolarHBondContact O-CG2 2.94Å; S817-T821 PolarHBondContact O-N 2.88Å; S817-T821 PolarHBondContact O-OG1 2.88Å
818D69.4Low71.8Confident77 Ų7796.3 Ų96.341%0.41251%0.505SS..Hα-helixtrans-69.1-34.3176.7-67.6-7.4000112.1I814 K816 T821 R822I814-D818 PolarHBondContact O-N 3.24Å; K816-D818 VanDerWaalsContact C-N 3.35Å; D818-T821 WeakPolarHBondContact CA-OG1 3.26Å; D818-T821 PolarHBondContact O-OG1 3.03Å; D818-R822 VanDerWaalsContact O-CB 3.25Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.47Å; D818-R822 PolarHBondContact O-N 3.04Å
819L68.2Low72Confident122 Ų12296.2 Ų96.264%0.63951%0.505SS*.Hα-helixtrans-72.9-38.5174.7-160.877.4000111.9L815 K816 N823L815-L819 VanDerWaalsContact O-CB 3.25Å; L815-L819 WeakPolarHBondContact O-CB 3.49Å; L815-L819 PolarHBondContact O-N 3.47Å; K816-L819 PolarHBondContact O-N 3.16Å; L819-N823 WeakPolarHBondContact O-CB 2.89Å; L819-N823 PolarHBondContact O-N 3Å
820V70.6Confident72.2Confident82 Ų8295 Ų9550%0.49750%0.502SS..Hα-helixtrans-64.9-50.5174167.50000110.2K816 S817 R822 N823 D824K816-V820 WeakPolarHBondContact O-CB 3.47Å; K816-V820 VanDerWaalsContact O-CG2 3.27Å; K816-V820 WeakPolarHBondContact O-CG2 3.32Å; K816-V820 PolarHBondContact O-N 3.43Å; S817-V820 PolarHBondContact O-N 3.26Å; V820-R822 VanDerWaalsContact C-N 3.34Å; V820-R822 PolarHBondContact O-N 2.71Å; V820-N823 CarbonylContact O-C 3.57Å; V820-N823 WeakPolarHBondContact O-CA 3.46Å; V820-N823 WeakPolarHBondContact O-CB 3.43Å; V820-N823 PolarHBondContact O-N 3.44Å; V820-D824 VanDerWaalsContact O-CG 3.25Å; V820-D824 PolarHBondContact O-N 3.05Å
821T72.5Confident72.5Confident74 Ų7495.5 Ų95.545%0.45450%0.502SS..Hα-helixtrans-63.9-35.817850.80000112.8S817 D818 D824 V825S817-T821 WeakPolarHBondContact O-CB 3.1Å; S817-T821 WeakPolarHBondContact O-CG2 2.94Å; S817-T821 PolarHBondContact O-N 2.88Å; S817-T821 PolarHBondContact O-OG1 2.88Å; D818-T821 WeakPolarHBondContact CA-OG1 3.26Å; D818-T821 PolarHBondContact O-OG1 3.03Å; T821-D824 PolarHBondContact O-N 3.44Å; T821-V825 WeakPolarHBondContact O-CB 3.17Å; T821-V825 VanDerWaalsContact O-CG2 3.32Å; T821-V825 WeakPolarHBondContact O-CG2 3.4Å; T821-V825 PolarHBondContact O-N 2.82Å
822R71Confident72.5Confident180 Ų18095.9 Ų95.968%0.67950%0.504SS*.Hα-helixtrans-64.7-41168.6-83.3179.4167.2154.8-0.7112.9D818 V820 D824 V825 V826D818-R822 VanDerWaalsContact O-CB 3.25Å; D818-R822 WeakPolarHBondContact O-CB 3.39Å; D818-R822 VanDerWaalsContact O-CG 3.32Å; D818-R822 WeakPolarHBondContact O-CG 3.47Å; D818-R822 PolarHBondContact O-N 3.04Å; V820-R822 VanDerWaalsContact C-N 3.34Å; V820-R822 PolarHBondContact O-N 2.71Å; R822-D824 VanDerWaalsContact C-N 3.33Å; R822-V825 PolarHBondContact O-N 2.79Å; R822-V826 WeakPolarHBondContact O-CB 3.06Å; R822-V826 VanDerWaalsContact O-CG2 3.29Å; R822-V826 WeakPolarHBondContact O-CG2 3.14Å; R822-V826 PolarHBondContact O-N 3.36Å
823N75.2Confident72.7Confident88 Ų8897.2 Ų97.247%0.47151%0.511SS..Hα-helixtrans-64.3-40.3177.1-179.186.1000111L819 V820 V826 N827L819-N823 WeakPolarHBondContact O-CB 2.89Å; L819-N823 PolarHBondContact O-N 3Å; V820-N823 CarbonylContact O-C 3.57Å; V820-N823 WeakPolarHBondContact O-CA 3.46Å; V820-N823 WeakPolarHBondContact O-CB 3.43Å; V820-N823 PolarHBondContact O-N 3.44Å; N823-V826 CarbonylContact O-C 3.6Å; N823-V826 PolarHBondContact O-N 2.76Å; N823-N827 PolarHBondContact ND2-ND2 3.29Å; N823-N827 VanDerWaalsContact ND2-ND2 3.1Å; N823-N827 PolarHBondContact O-N 3.04Å; N823-N827 PolarHBondContact O-ND2 3.42Å
824D72.6Confident72.9Confident77 Ų7799.5 Ų99.541%0.41252%0.516SS..Hα-helixtrans-66.6-43.2175.9-64.4-19.8000111.3V820 T821 R822 V826 N827 D828V820-D824 VanDerWaalsContact O-CG 3.25Å; V820-D824 PolarHBondContact O-N 3.05Å; T821-D824 PolarHBondContact O-N 3.44Å; R822-D824 VanDerWaalsContact C-N 3.33Å; D824-V826 VanDerWaalsContact C-N 3.32Å; D824-V826 PolarHBondContact O-N 3.41Å; D824-N827 WeakPolarHBondContact O-CB 3.42Å; D824-N827 PolarHBondContact O-N 2.75Å; D824-N827 VanDerWaalsContact O-N 3.12Å; D824-D828 PolarHBondContact O-N 2.86Å
825V75.2Confident73Confident83 Ų83100 Ų10050%0.50351%0.514SS..Hα-helixtrans-62.1-36.6171.5168.90000112.2T821 R822 D828 L829T821-V825 WeakPolarHBondContact O-CB 3.17Å; T821-V825 VanDerWaalsContact O-CG2 3.32Å; T821-V825 WeakPolarHBondContact O-CG2 3.4Å; T821-V825 PolarHBondContact O-N 2.82Å; R822-V825 PolarHBondContact O-N 2.79Å; V825-D828 PolarHBondContact O-N 3.35Å; V825-L829 HydrophobicContact CG1-CD1 4.04Å; V825-L829 WeakPolarHBondContact O-CB 3.33Å; V825-L829 VanDerWaalsContact O-CG 3.25Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 2.94Å
826V71.5Confident73.2Confident74 Ų7499.4 Ų99.445%0.44851%0.507SS..Hα-helixtrans-69.1-34.8173.6166.40000111.5R822 N823 D824 N830R822-V826 WeakPolarHBondContact O-CB 3.06Å; R822-V826 VanDerWaalsContact O-CG2 3.29Å; R822-V826 WeakPolarHBondContact O-CG2 3.14Å; R822-V826 PolarHBondContact O-N 3.36Å; N823-V826 CarbonylContact O-C 3.6Å; N823-V826 PolarHBondContact O-N 2.76Å; D824-V826 VanDerWaalsContact C-N 3.32Å; D824-V826 PolarHBondContact O-N 3.41Å; V826-N830 VanDerWaalsContact O-CB 3.3Å; V826-N830 WeakPolarHBondContact O-CB 3.45Å; V826-N830 VanDerWaalsContact O-CG 3.24Å; V826-N830 PolarHBondContact O-N 3.41Å; V826-N830 PolarHBondContact O-ND2 3.31Å
827N72.6Confident73.5Confident68 Ų6898.1 Ų98.136%0.36450%0.502SS..Hα-helixtrans-69-42.1173.5-66.9-36.9000111.6N823 D824 N830 M831N823-N827 PolarHBondContact ND2-ND2 3.29Å; N823-N827 VanDerWaalsContact ND2-ND2 3.1Å; N823-N827 PolarHBondContact O-N 3.04Å; N823-N827 PolarHBondContact O-ND2 3.42Å; D824-N827 WeakPolarHBondContact O-CB 3.42Å; D824-N827 PolarHBondContact O-N 2.75Å; D824-N827 VanDerWaalsContact O-N 3.12Å; N827-N830 PolarHBondContact O-N 2.92Å; N827-M831 WeakPolarHBondContact O-CB 3.49Å; N827-M831 WeakPolarHBondContact O-CG 3.38Å; N827-M831 PolarHBondContact O-N 2.98Å
828D73.8Confident73.8Confident98 Ų9899.2 Ų99.252%0.52450%0.503SS..Hα-helixtrans-62.4-44.2174.1-79.5-18.4000111.4D824 V825 M831 E832D824-D828 PolarHBondContact O-N 2.86Å; V825-D828 PolarHBondContact O-N 3.35Å; D828-M831 PolarHBondContact O-N 3.33Å; D828-M831 WeakPolarHBondContact OD1-CE 3.39Å; D828-E832 WeakPolarHBondContact O-CB 3.48Å; D828-E832 PolarHBondContact O-N 3.07Å
829L76Confident74.1Confident105 Ų10599.1 Ų99.155%0.5550%0.5SS..Hα-helixtrans-63.9-38.5174-74.8169.6000112.4V825 E832 L833V825-L829 HydrophobicContact CG1-CD1 4.04Å; V825-L829 WeakPolarHBondContact O-CB 3.33Å; V825-L829 VanDerWaalsContact O-CG 3.25Å; V825-L829 WeakPolarHBondContact O-CG 3.45Å; V825-L829 PolarHBondContact O-N 2.94Å; L829-E832 PolarHBondContact O-N 3.36Å; L829-L833 VanDerWaalsContact O-CB 3.22Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 3.39Å
830N73.2Confident74.4Confident90 Ų9096.8 Ų96.848%0.48149%0.488SS..Hα-helixtrans-67.5-41.5174.5-79.4-30.6000111.8V826 N827 E832 L833 E834V826-N830 VanDerWaalsContact O-CB 3.3Å; V826-N830 WeakPolarHBondContact O-CB 3.45Å; V826-N830 VanDerWaalsContact O-CG 3.24Å; V826-N830 PolarHBondContact O-N 3.41Å; V826-N830 PolarHBondContact O-ND2 3.31Å; N827-N830 PolarHBondContact O-N 2.92Å; N830-E832 VanDerWaalsContact C-N 3.35Å; N830-L833 PolarHBondContact O-N 2.81Å; N830-E834 WeakPolarHBondContact O-CB 3.3Å; N830-E834 PolarHBondContact O-N 2.97Å
831M79Confident74.8Confident108 Ų10896 Ų9653%0.53248%0.48SS..Hα-helixtrans-64.8-38174.4-75-172.2-65.800111.8N827 D828 K835N827-M831 WeakPolarHBondContact O-CB 3.49Å; N827-M831 WeakPolarHBondContact O-CG 3.38Å; N827-M831 PolarHBondContact O-N 2.98Å; D828-M831 PolarHBondContact O-N 3.33Å; D828-M831 WeakPolarHBondContact OD1-CE 3.39Å; M831-K835 WeakPolarHBondContact O-CB 3.46Å; M831-K835 PolarHBondContact O-N 2.79Å
832E74.9Confident75.1Confident107 Ų10797 Ų9750%0.548%0.483SS..Hα-helixtrans-70.2-36.7174.5-173.2152.1-118.700111.8D828 L829 N830 K836D828-E832 WeakPolarHBondContact O-CB 3.48Å; D828-E832 PolarHBondContact O-N 3.07Å; L829-E832 PolarHBondContact O-N 3.36Å; N830-E832 VanDerWaalsContact C-N 3.35Å; E832-K836 WeakPolarHBondContact O-CB 3.39Å; E832-K836 WeakPolarHBondContact O-CG 3.18Å; E832-K836 PolarHBondContact O-N 3.45Å
833L74.4Confident75.4Confident116 Ų11694.1 Ų94.161%0.60748%0.48SS*.Hα-helixtrans-70.3-40.7175.9-168.4150000112.3L829 N830 K836 Q837L829-L833 VanDerWaalsContact O-CB 3.22Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 3.39Å; N830-L833 PolarHBondContact O-N 2.81Å; L833-K836 PolarHBondContact O-N 2.9Å; L833-Q837 PolarHBondContact O-N 3.49Å
834E73.1Confident75.4Confident137 Ų13795.1 Ų95.164%0.6448%0.482SS*.Hα-helixtrans-63.5-44.8173.1-174.5171.3-138.800110.7N830 K836 Q837 D838N830-E834 WeakPolarHBondContact O-CB 3.3Å; N830-E834 PolarHBondContact O-N 2.97Å; E834-K836 VanDerWaalsContact C-N 3.31Å; E834-K836 PolarHBondContact O-N 3.3Å; E834-Q837 WeakPolarHBondContact O-CB 3.17Å; E834-Q837 PolarHBondContact O-N 2.91Å; E834-Q837 VanDerWaalsContact O-N 3.16Å; E834-D838 PolarHBondContact O-N 2.83Å
835K78.2Confident75.7Confident112 Ų11296 Ų9649%0.48749%0.486SS..Hα-helixtrans-60-38.1171.5176.9-173.4164.5-156.80112.5M831 D838 E839M831-K835 WeakPolarHBondContact O-CB 3.46Å; M831-K835 PolarHBondContact O-N 2.79Å; K835-D838 PolarHBondContact O-N 2.85Å; K835-E839 WeakPolarHBondContact CE-OE1 3.29Å; K835-E839 WeakPolarHBondContact O-CG 3.4Å; K835-E839 PolarHBondContact O-N 3.44Å
836K75.6Confident75.6Confident100 Ų10095.9 Ų95.944%0.43549%0.486SS..Hα-helixtrans-68.5-37.2174.4-74.5-72.8163.5-159.50112E832 L833 E834 D838 E839 I840E832-K836 WeakPolarHBondContact O-CB 3.39Å; E832-K836 WeakPolarHBondContact O-CG 3.18Å; E832-K836 PolarHBondContact O-N 3.45Å; L833-K836 PolarHBondContact O-N 2.9Å; E834-K836 VanDerWaalsContact C-N 3.31Å; E834-K836 PolarHBondContact O-N 3.3Å; K836-D838 VanDerWaalsContact C-N 3.32Å; K836-E839 IonicContact NZ-OE1 2.66Å; K836-E839 IonicContact NZ-OE2 3.07Å; K836-E839 PolarHBondContact NZ-OE2 2.92Å; K836-E839 PolarHBondContact O-N 3.29Å; K836-I840 WeakPolarHBondContact O-CB 3.22Å; K836-I840 WeakPolarHBondContact O-CD1 3.38Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.27Å
837Q76.9Confident75.7Confident94 Ų9496.7 Ų96.744%0.43949%0.487SS..Hα-helixtrans-62.6-40.3171.7-173.258.956.300111L833 E834 I840 N841L833-Q837 PolarHBondContact O-N 3.49Å; E834-Q837 WeakPolarHBondContact O-CB 3.17Å; E834-Q837 PolarHBondContact O-N 2.91Å; E834-Q837 VanDerWaalsContact O-N 3.16Å; Q837-I840 CarbonylContact O-C 3.54Å; Q837-I840 WeakPolarHBondContact O-CB 3.27Å; Q837-I840 PolarHBondContact O-N 3.49Å; Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.23Å; Q837-N841 PolarHBondContact O-ND2 2.86Å; Q837-N841 PolarHBondContact O-OD1 3.39Å
838D76.5Confident75.7Confident92 Ų9298.4 Ų98.449%0.49250%0.496SS..Hα-helixtrans-69.1-36.2174.6-99.4-1.1000113.7E834 K835 K836 I840 N841 N842E834-D838 PolarHBondContact O-N 2.83Å; K835-D838 PolarHBondContact O-N 2.85Å; K836-D838 VanDerWaalsContact C-N 3.32Å; D838-I840 VanDerWaalsContact C-N 3.34Å; D838-N841 PolarHBondContact O-N 3.42Å; D838-N841 PolarHBondContact OD1-ND2 3.38Å; D838-N842 WeakPolarHBondContact O-CB 3.38Å; D838-N842 PolarHBondContact O-N 2.87Å; D838-N842 PolarHBondContact O-ND2 2.79Å
839E75.2Confident75.7Confident75 Ų75100 Ų10035%0.3550%0.499SS..Hα-helixtrans-60.6-43.7169.2-74.6173.5-163.700110.6K835 K836 N842 L843K835-E839 WeakPolarHBondContact CE-OE1 3.29Å; K835-E839 WeakPolarHBondContact O-CG 3.4Å; K835-E839 PolarHBondContact O-N 3.44Å; K836-E839 IonicContact NZ-OE1 2.66Å; K836-E839 IonicContact NZ-OE2 3.07Å; K836-E839 PolarHBondContact NZ-OE2 2.92Å; K836-E839 PolarHBondContact O-N 3.29Å; E839-N842 PolarHBondContact O-N 2.87Å; E839-L843 VanDerWaalsContact O-CG 3.32Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 3.22Å
840I75.5Confident75.4Confident73 Ų73101.4 Ų101.437%0.37450%0.498SS..Hα-helixtrans-64.5-41.4175.1-70.9164.3000112K836 Q837 D838 N842 L843 H844K836-I840 WeakPolarHBondContact O-CB 3.22Å; K836-I840 WeakPolarHBondContact O-CD1 3.38Å; K836-I840 VanDerWaalsContact O-CG1 3.27Å; K836-I840 WeakPolarHBondContact O-CG1 3.46Å; K836-I840 PolarHBondContact O-N 3.27Å; Q837-I840 CarbonylContact O-C 3.54Å; Q837-I840 WeakPolarHBondContact O-CB 3.27Å; Q837-I840 PolarHBondContact O-N 3.49Å; D838-I840 VanDerWaalsContact C-N 3.34Å; I840-N842 VanDerWaalsContact C-N 3.34Å; I840-N842 PolarHBondContact O-N 3.48Å; I840-L843 PolarHBondContact O-N 2.96Å; I840-H844 PolarHBondContact O-N 3.42Å; I840-H844 PolarHBondContact O-ND1 3.4Å
841N77.8Confident75.3Confident64 Ų64101 Ų10134%0.34250%0.495SS..Hα-helixtrans-63.1-41.6177-66-22.1000110.9Q837 D838 H844 L845Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.44Å; Q837-N841 PolarHBondContact O-N 3.23Å; Q837-N841 PolarHBondContact O-ND2 2.86Å; Q837-N841 PolarHBondContact O-OD1 3.39Å; D838-N841 PolarHBondContact O-N 3.42Å; D838-N841 PolarHBondContact OD1-ND2 3.38Å; N841-H844 PolarHBondContact O-N 3.37Å; N841-L845 WeakPolarHBondContact O-CB 3.4Å; N841-L845 PolarHBondContact O-N 2.81Å
842N79Confident74.9Confident97 Ų9799.6 Ų99.652%0.51950%0.496SS..Hα-helixtrans-68.9-33.2175.7-81.8-77.9000113D838 E839 I840 T846D838-N842 WeakPolarHBondContact O-CB 3.38Å; D838-N842 PolarHBondContact O-N 2.87Å; D838-N842 PolarHBondContact O-ND2 2.79Å; E839-N842 PolarHBondContact O-N 2.87Å; I840-N842 VanDerWaalsContact C-N 3.34Å; I840-N842 PolarHBondContact O-N 3.48Å; N842-T846 WeakPolarHBondContact O-CB 3.33Å; N842-T846 PolarHBondContact O-N 2.83Å; N842-T846 VanDerWaalsContact O-N 3.07Å; N842-T846 PolarHBondContact O-OG1 3.34Å
843L78.2Confident74.8Confident118 Ų118100.2 Ų100.262%0.61850%0.497SS*.Hα-helixtrans-66.8-45.1173.3-74.8168.7000111.7E839 I840 L845 T846 L847E839-L843 VanDerWaalsContact O-CG 3.32Å; E839-L843 WeakPolarHBondContact O-CG 3.46Å; E839-L843 PolarHBondContact O-N 3.22Å; I840-L843 PolarHBondContact O-N 2.96Å; L843-L845 PolarHBondContact O-N 3.5Å; L843-T846 CarbonylContact O-C 2.93Å; L843-T846 WeakPolarHBondContact O-CA 3.25Å; L843-T846 WeakPolarHBondContact O-CB 3.46Å; L843-T846 PolarHBondContact O-N 3.29Å; L843-L847 PolarHBondContact O-N 3.43Å
844H75.1Confident74.5Confident110 Ų11096.3 Ų96.351%0.50948%0.477SS..Hα-helixtrans-58.7-48.4172.6-74.995.4000111.9I840 N841 T846 L847 D848I840-H844 PolarHBondContact O-N 3.42Å; I840-H844 PolarHBondContact O-ND1 3.4Å; N841-H844 PolarHBondContact O-N 3.37Å; H844-T846 PolarHBondContact O-N 2.91Å; H844-L847 PolarHBondContact O-N 2.91Å; H844-D848 PolarHBondContact O-N 2.84Å
845L78.5Confident74.2Confident94 Ų9492.5 Ų92.549%0.49246%0.46SS..Hα-helixtrans-61.2-13.6173.8-90.4165.7000114.3N841 L843 K849N841-L845 WeakPolarHBondContact O-CB 3.4Å; N841-L845 PolarHBondContact O-N 2.81Å; L843-L845 PolarHBondContact O-N 3.5Å; L845-K849 VanDerWaalsContact O-CD 3.31Å; L845-K849 WeakPolarHBondContact O-CD 3.42Å; L845-K849 VanDerWaalsContact O-CE 3.31Å; L845-K849 WeakPolarHBondContact O-CE 3.16Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.28Å; L845-K849 PolarHBondContact O-NZ 2.83Å
846T72.7Confident73.7Confident82 Ų8291.3 Ų91.350%0.50346%0.462SS..Hα-helixtrans-95.3-37.3174.1-590000111N842 L843 H844 K849 Y850N842-T846 WeakPolarHBondContact O-CB 3.33Å; N842-T846 PolarHBondContact O-N 2.83Å; N842-T846 VanDerWaalsContact O-N 3.07Å; N842-T846 PolarHBondContact O-OG1 3.34Å; L843-T846 CarbonylContact O-C 2.93Å; L843-T846 WeakPolarHBondContact O-CA 3.25Å; L843-T846 WeakPolarHBondContact O-CB 3.46Å; L843-T846 PolarHBondContact O-N 3.29Å; H844-T846 PolarHBondContact O-N 2.91Å; T846-K849 PolarHBondContact O-N 3.01Å; T846-Y850 PolarHBondContact O-N 3.12Å
847L74.2Confident73.2Confident90 Ų9089.5 Ų89.547%0.47146%0.456SS..Hα-helixtrans-63-42.5173.2-174.460.4000111.8L843 H844 K849 Y850 N851L843-L847 PolarHBondContact O-N 3.43Å; H844-L847 PolarHBondContact O-N 2.91Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.1Å; L847-Y850 HydrophobicContact CD1-CD1 4.41Å; L847-Y850 CarbonylContact O-C 3.41Å; L847-Y850 WeakPolarHBondContact O-CB 3.2Å; L847-Y850 PolarHBondContact O-N 3.27Å; L847-Y850 VanDerWaalsContact O-N 3.1Å; L847-N851 VanDerWaalsContact O-CG 3.25Å; L847-N851 PolarHBondContact O-N 3.41Å; L847-N851 PolarHBondContact O-ND2 3.38Å
848D71.8Confident72.5Confident104 Ų10486.7 Ų86.756%0.55644%0.443SS*.Hα-helixtrans-61.3-38.6175.2-74.3-26.1000112.6H844 N851 S852H844-D848 PolarHBondContact O-N 2.84Å; D848-N851 PolarHBondContact O-N 2.87Å; D848-S852 WeakPolarHBondContact O-CB 3.35Å; D848-S852 PolarHBondContact O-N 3.42Å
849K73.8Confident72.2Confident132 Ų13286.7 Ų86.757%0.57444%0.443SS*.Hα-helixtrans-66.8-38.7174.4-66.9174.4-171.3114.20111.3L845 T846 L847 F853L845-K849 VanDerWaalsContact O-CD 3.31Å; L845-K849 WeakPolarHBondContact O-CD 3.42Å; L845-K849 VanDerWaalsContact O-CE 3.31Å; L845-K849 WeakPolarHBondContact O-CE 3.16Å; L845-K849 VanDerWaalsContact O-CG 3.31Å; L845-K849 WeakPolarHBondContact O-CG 3.28Å; L845-K849 PolarHBondContact O-NZ 2.83Å; T846-K849 PolarHBondContact O-N 3.01Å; L847-K849 VanDerWaalsContact C-N 3.31Å; L847-K849 PolarHBondContact O-N 3.1Å; K849-F853 VanDerWaalsContact O-CB 3.32Å; K849-F853 WeakPolarHBondContact O-CB 3.23Å; K849-F853 PolarHBondContact O-N 2.66Å
850Y70.8Confident71.9Confident135 Ų13589.4 Ų89.453%0.52945%0.454SS..Hα-helixtrans-65.9-42.2174.8-177.6-113.7000111.9T846 L847 F853 N854T846-Y850 PolarHBondContact O-N 3.12Å; L847-Y850 HydrophobicContact CD1-CD1 4.41Å; L847-Y850 CarbonylContact O-C 3.41Å; L847-Y850 WeakPolarHBondContact O-CB 3.2Å; L847-Y850 PolarHBondContact O-N 3.27Å; L847-Y850 VanDerWaalsContact O-N 3.1Å; Y850-F853 WeakPolarHBondContact O-CB 3.43Å; Y850-F853 PolarHBondContact O-N 3.24Å; Y850-N854 WeakPolarHBondContact CD1-ND2 3.29Å; Y850-N854 WeakPolarHBondContact CE1-ND2 3.48Å; Y850-N854 VanDerWaalsContact CZ-ND2 3.34Å; Y850-N854 WeakPolarHBondContact O-CB 3.44Å; Y850-N854 VanDerWaalsContact O-CG 3.28Å; Y850-N854 PolarHBondContact O-N 3.22Å; Y850-N854 PolarHBondContact O-ND2 2.81Å
851N70.5Confident71.4Confident80 Ų8088.5 Ų88.543%0.42845%0.449SS..Hα-helixtrans-63.1-45175.3-68.3-21.3000111.7L847 D848 F853 N854 Q855L847-N851 VanDerWaalsContact O-CG 3.25Å; L847-N851 PolarHBondContact O-N 3.41Å; L847-N851 PolarHBondContact O-ND2 3.38Å; D848-N851 PolarHBondContact O-N 2.87Å; N851-F853 VanDerWaalsContact C-N 3.28Å; N851-F853 PolarHBondContact O-N 3.14Å; N851-N854 PolarHBondContact O-N 2.96Å; N851-Q855 PolarHBondContact O-N 3.38Å
852S70.4Confident70.8Confident79 Ų7986.7 Ų86.755%0.55244%0.441SS*.Hα-helixtrans-61.5-35173.1-176.50000112.8D848 T856D848-S852 WeakPolarHBondContact O-CB 3.35Å; D848-S852 PolarHBondContact O-N 3.42Å; S852-T856 PolarHBondContact O-N 2.85Å; S852-T856 PolarHBondContact O-OG1 2.67Å
853F72.9Confident70.4Confident120 Ų12085.7 Ų85.753%0.52644%0.436SS..Hα-helixtrans-71.4-44.1176.6179-109.7000111.8K849 Y850 N851 Q855 T856 I857K849-F853 VanDerWaalsContact O-CB 3.32Å; K849-F853 WeakPolarHBondContact O-CB 3.23Å; K849-F853 PolarHBondContact O-N 2.66Å; Y850-F853 WeakPolarHBondContact O-CB 3.43Å; Y850-F853 PolarHBondContact O-N 3.24Å; N851-F853 VanDerWaalsContact C-N 3.28Å; N851-F853 PolarHBondContact O-N 3.14Å; F853-Q855 PolarHBondContact O-N 2.73Å; F853-T856 WeakPolarHBondContact O-CA 3.24Å; F853-T856 WeakPolarHBondContact O-CB 3.43Å; F853-T856 PolarHBondContact O-N 3.27Å; F853-T856 VanDerWaalsContact O-N 3.08Å; F853-I857 HydrophobicContact CD1-CD1 3.96Å; F853-I857 HydrophobicContact CE1-CD1 3.4Å; F853-I857 HydrophobicContact CE1-CG1 4.38Å; F853-I857 HydrophobicContact CE2-CD1 4.3Å; F853-I857 HydrophobicContact CZ-CD1 3.6Å; F853-I857 HydrophobicContact CZ-CG1 4.33Å; F853-I857 PolarHBondContact O-N 2.76Å
854N67.5Low69.9Low34 Ų3483.5 Ų83.518%0.18243%0.425CS..Hα-helixtrans-61-43.2175.9-71.5-20000112Y850 N851 T856 I857 H858Y850-N854 WeakPolarHBondContact CD1-ND2 3.29Å; Y850-N854 WeakPolarHBondContact CE1-ND2 3.48Å; Y850-N854 VanDerWaalsContact CZ-ND2 3.34Å; Y850-N854 WeakPolarHBondContact O-CB 3.44Å; Y850-N854 VanDerWaalsContact O-CG 3.28Å; Y850-N854 PolarHBondContact O-N 3.22Å; Y850-N854 PolarHBondContact O-ND2 2.81Å; N851-N854 PolarHBondContact O-N 2.96Å; N854-T856 PolarHBondContact O-N 2.86Å; N854-I857 PolarHBondContact O-N 2.95Å; N854-H858 WeakPolarHBondContact O-CB 3.49Å; N854-H858 PolarHBondContact O-N 2.83Å
855Q66.9Low69.5Low58 Ų5881 Ų8127%0.27141%0.413SS..Hα-helixtrans-64.5-31.5175.2-169.759.139.300112.1N851 F853 N859 S945N851-Q855 PolarHBondContact O-N 3.38Å; F853-Q855 PolarHBondContact O-N 2.73Å; Q855-N859 PolarHBondContact NE2-OD1 3.06Å; Q855-N859 VanDerWaalsContact NE2-OD1 3.11Å; Q855-N859 WeakPolarHBondContact O-CB 3.44Å; Q855-N859 PolarHBondContact O-N 3.31Å; Q855-N859 VanDerWaalsContact O-N 3.13Å; Q855-N859 PolarHBondContact O-OD1 3.3Å; Q855-S945 PolarHBondContact OE1-OG 3.05Å
856T68.6Low69.1Low87 Ų8782.3 Ų82.353%0.53441%0.412SS..Hα-helixtrans-69-41.7173.3-55.50000111.7S852 F853 N854 F860S852-T856 PolarHBondContact O-N 2.85Å; S852-T856 PolarHBondContact O-OG1 2.67Å; F853-T856 WeakPolarHBondContact O-CA 3.24Å; F853-T856 WeakPolarHBondContact O-CB 3.43Å; F853-T856 PolarHBondContact O-N 3.27Å; F853-T856 VanDerWaalsContact O-N 3.08Å; N854-T856 PolarHBondContact O-N 2.86Å; T856-F860 PolarHBondContact O-N 3.17Å; T856-F860 VanDerWaalsContact O-N 3.14Å
857I65.5Low69.1Low61 Ų6183.3 Ų83.331%0.31341%0.41SS..Hα-helixtrans-63.8-45.1174.3-74.9179.2000111.4F853 N854 N859 F860 I861F853-I857 HydrophobicContact CD1-CD1 3.96Å; F853-I857 HydrophobicContact CE1-CD1 3.4Å; F853-I857 HydrophobicContact CE1-CG1 4.38Å; F853-I857 HydrophobicContact CE2-CD1 4.3Å; F853-I857 HydrophobicContact CZ-CD1 3.6Å; F853-I857 HydrophobicContact CZ-CG1 4.33Å; F853-I857 PolarHBondContact O-N 2.76Å; N854-I857 PolarHBondContact O-N 2.95Å; I857-N859 PolarHBondContact O-N 2.86Å; I857-F860 WeakPolarHBondContact O-CB 3.17Å; I857-F860 PolarHBondContact O-N 2.86Å; I857-F860 VanDerWaalsContact O-N 3.1Å; I857-I861 HydrophobicContact CG2-CD1 3.56Å; I857-I861 HydrophobicContact CG2-CG1 4.2Å; I857-I861 WeakPolarHBondContact O-CG1 3.36Å; I857-I861 PolarHBondContact O-N 3.15Å
858H61.7Low69.1Low36 Ų3684.6 Ų84.617%0.16742%0.417CS..Hα-helixtrans-57.7-49177.9179.386000111.2N854 F860 I861 C862 S945N854-H858 WeakPolarHBondContact O-CB 3.49Å; N854-H858 PolarHBondContact O-N 2.83Å; H858-F860 PolarHBondContact O-N 3.48Å; H858-I861 PolarHBondContact O-N 3.49Å; H858-C862 PolarHBondContact O-N 3.41Å; H858-C862 PolarHBondContact O-SG 2.92Å; H858-C862 VanDerWaalsContact O-SG 3.41Å; H858-S945 PolarHBondContact CE1-O 3.09Å; H858-S945 VanDerWaalsContact CE1-O 3.23Å; H858-S945 PolarHBondContact ND1-O 3.26Å
859N68.8Low69Low92 Ų9281.1 Ų81.149%0.49240%0.397SS..Hα-helixtrans-59.1-33.8176.2-69.8-1.5000112.8Q855 I857 N863Q855-N859 PolarHBondContact NE2-OD1 3.06Å; Q855-N859 VanDerWaalsContact NE2-OD1 3.11Å; Q855-N859 WeakPolarHBondContact O-CB 3.44Å; Q855-N859 PolarHBondContact O-N 3.31Å; Q855-N859 VanDerWaalsContact O-N 3.13Å; Q855-N859 PolarHBondContact O-OD1 3.3Å; I857-N859 PolarHBondContact O-N 2.86Å; N859-N863 WeakPolarHBondContact O-CB 3.49Å
860F69.3Low69.1Low132 Ų13278.7 Ų78.758%0.57939%0.387SS*.Hα-helixtrans-70.1-52.6175.5-173.3-88.5000111.6T856 I857 H858 C862 N863 D864T856-F860 PolarHBondContact O-N 3.17Å; T856-F860 VanDerWaalsContact O-N 3.14Å; I857-F860 WeakPolarHBondContact O-CB 3.17Å; I857-F860 PolarHBondContact O-N 2.86Å; I857-F860 VanDerWaalsContact O-N 3.1Å; H858-F860 PolarHBondContact O-N 3.48Å; F860-C862 PolarHBondContact O-N 3.12Å; F860-N863 PolarHBondContact O-N 3.15Å; F860-D864 VanDerWaalsContact CE1-OD2 3.25Å; F860-D864 WeakPolarHBondContact CE1-OD2 3.24Å; F860-D864 PolarHBondContact O-N 3.05Å
861I65.2Low69.4Low54 Ų5475.6 Ų75.628%0.27739%0.385SS..Hα-helixtrans-58.8-48.1-178.1-69.2174.6000111.3I857 H858 N863 D864 H865 F949I857-I861 HydrophobicContact CG2-CD1 3.56Å; I857-I861 HydrophobicContact CG2-CG1 4.2Å; I857-I861 WeakPolarHBondContact O-CG1 3.36Å; I857-I861 PolarHBondContact O-N 3.15Å; H858-I861 PolarHBondContact O-N 3.49Å; I861-N863 VanDerWaalsContact C-N 3.26Å; I861-N863 PolarHBondContact O-N 3.44Å; I861-D864 PolarHBondContact O-N 3.04Å; I861-H865 PolarHBondContact O-CD2 2.88Å; I861-H865 PolarHBondContact O-N 3.29Å; I861-F949 HydrophobicContact CG2-CE1 3.88Å; I861-F949 HydrophobicContact CG2-CE2 4.18Å; I861-F949 HydrophobicContact CG2-CZ 3.54Å
862C65.1Low69.7Low25 Ų2574.5 Ų74.517%0.16938%0.379CS..Hα-helixtrans-61.3-34.7179.8-680000112.6H858 F860 R866 F937H858-C862 PolarHBondContact O-N 3.41Å; H858-C862 PolarHBondContact O-SG 2.92Å; H858-C862 VanDerWaalsContact O-SG 3.41Å; F860-C862 PolarHBondContact O-N 3.12Å; C862-R866 VanDerWaalsContact O-CB 3.31Å; C862-R866 WeakPolarHBondContact O-CB 3.48Å; C862-R866 PolarHBondContact O-N 2.9Å; C862-F937 HydrophobicContact CB-CE1 4.28Å
863N70.2Confident70Confident77 Ų7771 Ų7141%0.41235%0.354SS..Hα-helixtrans-75.4-36.4178.7-163.733.9000112.4N859 F860 I861 Q867N859-N863 WeakPolarHBondContact O-CB 3.49Å; F860-N863 PolarHBondContact O-N 3.15Å; I861-N863 VanDerWaalsContact C-N 3.26Å; I861-N863 PolarHBondContact O-N 3.44Å; N863-Q867 WeakPolarHBondContact O-CG 3.31Å; N863-Q867 PolarHBondContact O-N 3.41Å; N863-Q867 VanDerWaalsContact O-N 3.1Å
864D69.5Low70.2Confident72 Ų7270.8 Ų70.839%0.38535%0.353SS..Hα-helixtrans-69.1-45.7175.5-90.210000112.1F860 I861 R866 Q867 L868F860-D864 VanDerWaalsContact CE1-OD2 3.25Å; F860-D864 WeakPolarHBondContact CE1-OD2 3.24Å; F860-D864 PolarHBondContact O-N 3.05Å; I861-D864 PolarHBondContact O-N 3.04Å; D864-R866 VanDerWaalsContact C-N 3.28Å; D864-R866 PolarHBondContact O-N 2.91Å; D864-Q867 PolarHBondContact O-N 3.02Å; D864-Q867 VanDerWaalsContact O-N 3.12Å; D864-L868 WeakPolarHBondContact O-CB 3.28Å; D864-L868 PolarHBondContact O-N 3.41Å
865H66.2Low70.9Confident58 Ų5874.7 Ų74.727%0.26937%0.373SS..Hα-helixtrans-57-42.3173.8-86.1-98.2000111.7I861 Q867 L868 Y869I861-H865 PolarHBondContact O-CD2 2.88Å; I861-H865 PolarHBondContact O-N 3.29Å; H865-Q867 PolarHBondContact O-N 3.48Å; H865-L868 PolarHBondContact O-N 2.83Å; H865-L868 VanDerWaalsContact O-N 3.16Å; H865-Y869 VanDerWaalsContact O-CD2 3.28Å; H865-Y869 WeakPolarHBondContact O-CD2 3.29Å; H865-Y869 PolarHBondContact O-N 3.5Å
866R70.1Confident71.5Confident121 Ų12172.2 Ų72.246%0.45736%0.362SS..Hα-helixtrans-60.6-40.8176.1-176.9177.7-179.6-123.99.4112.6C862 D864 Q870 F934C862-R866 VanDerWaalsContact O-CB 3.31Å; C862-R866 WeakPolarHBondContact O-CB 3.48Å; C862-R866 PolarHBondContact O-N 2.9Å; D864-R866 VanDerWaalsContact C-N 3.28Å; D864-R866 PolarHBondContact O-N 2.91Å; R866-Q870 VanDerWaalsContact O-CB 3.31Å; R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 PolarHBondContact O-N 3.06Å; R866-Q870 VanDerWaalsContact O-N 3.17Å; R866-F934 HydrophobicContact CG-CE1 4.23Å
867Q72.7Confident72.1Confident102 Ų10270.2 Ų70.248%0.47735%0.347SS..Hα-helixtrans-67.5-36.9173.5-73.6-17477.900112.5N863 D864 H865 Q870 S871N863-Q867 WeakPolarHBondContact O-CG 3.31Å; N863-Q867 PolarHBondContact O-N 3.41Å; N863-Q867 VanDerWaalsContact O-N 3.1Å; D864-Q867 PolarHBondContact O-N 3.02Å; D864-Q867 VanDerWaalsContact O-N 3.12Å; H865-Q867 PolarHBondContact O-N 3.48Å; Q867-Q870 PolarHBondContact O-N 3.16Å; Q867-S871 WeakPolarHBondContact O-CB 3.32Å; Q867-S871 PolarHBondContact O-N 3.09Å; Q867-S871 PolarHBondContact O-OG 2.93Å
868L74.4Confident72.9Confident118 Ų11870.8 Ų70.862%0.61836%0.356SS*.Hα-helixtrans-67.6-49.6-178.4-147.9165.1000111.2D864 H865 Q870 S871 L872D864-L868 WeakPolarHBondContact O-CB 3.28Å; D864-L868 PolarHBondContact O-N 3.41Å; H865-L868 PolarHBondContact O-N 2.83Å; H865-L868 VanDerWaalsContact O-N 3.16Å; L868-Q870 PolarHBondContact O-N 3.3Å; L868-S871 PolarHBondContact O-N 3.25Å; L868-S871 VanDerWaalsContact O-N 3.16Å; L868-L872 PolarHBondContact O-N 3.09Å
869Y69.6Low74Confident30 Ų3071.9 Ų71.912%0.11836%0.361CS..Hα-helixtrans-59.4-43.4172.6-78.3-69.5000112.4H865 S871 L872 I873 I933 Y958 L965H865-Y869 VanDerWaalsContact O-CD2 3.28Å; H865-Y869 WeakPolarHBondContact O-CD2 3.29Å; H865-Y869 PolarHBondContact O-N 3.5Å; Y869-S871 PolarHBondContact O-N 3.14Å; Y869-L872 PolarHBondContact O-N 2.62Å; Y869-I873 WeakPolarHBondContact O-CG1 3.34Å; Y869-I873 PolarHBondContact O-N 2.66Å; Y869-I933 HydrophobicContact CD1-CD1 4.2Å; Y869-I933 HydrophobicContact CE1-CD1 4.46Å; Y869-I933 HydrophobicContact CG-CG2 4.43Å; Y869-Y958 VanDerWaalsContact OH-CE2 3.25Å; Y869-Y958 WeakPolarHBondContact OH-CE2 3.18Å; Y869-L965 HydrophobicContact CD1-CD1 4.09Å; Y869-L965 HydrophobicContact CE1-CD1 4.01Å
870Q74.6Confident74.7Confident82 Ų8267.7 Ų67.738%0.38334%0.338SS..Hα-helixtrans-63.8-29.6178.5-162.5-174.64700112.5R866 Q867 L868 K874 F934R866-Q870 VanDerWaalsContact O-CB 3.31Å; R866-Q870 WeakPolarHBondContact O-CB 3.32Å; R866-Q870 PolarHBondContact O-N 3.06Å; R866-Q870 VanDerWaalsContact O-N 3.17Å; Q867-Q870 PolarHBondContact O-N 3.16Å; L868-Q870 PolarHBondContact O-N 3.3Å; Q870-K874 WeakPolarHBondContact O-CD 3.18Å; Q870-K874 VanDerWaalsContact O-CG 3.3Å; Q870-K874 WeakPolarHBondContact O-CG 3.4Å; Q870-K874 PolarHBondContact O-N 3.05Å; Q870-F934 HydrophobicContact CB-CZ 4.37Å; Q870-F934 HydrophobicContact CG-CZ 4.48Å
871S77.1Confident75.3Confident69 Ų6965.4 Ų65.448%0.48334%0.335SS..Hα-helixtrans-77.7-41.9176.1-59.20000112Q867 L868 Y869 K874 L875Q867-S871 WeakPolarHBondContact O-CB 3.32Å; Q867-S871 PolarHBondContact O-N 3.09Å; Q867-S871 PolarHBondContact O-OG 2.93Å; L868-S871 PolarHBondContact O-N 3.25Å; L868-S871 VanDerWaalsContact O-N 3.16Å; Y869-S871 PolarHBondContact O-N 3.14Å; S871-K874 PolarHBondContact O-N 2.94Å; S871-L875 PolarHBondContact O-N 3.33Å
872L76.9Confident76.2Confident58 Ų5868.6 Ų68.630%0.30434%0.344SS..Hα-helixtrans-62.3-45.4177.6-170.365.2000111.7L868 Y869 K874 L875 C876 L965L868-L872 PolarHBondContact O-N 3.09Å; Y869-L872 PolarHBondContact O-N 2.62Å; L872-K874 VanDerWaalsContact C-N 3.34Å; L872-K874 PolarHBondContact O-N 2.88Å; L872-L875 WeakPolarHBondContact O-CB 3.49Å; L872-L875 PolarHBondContact O-N 2.89Å; L872-L875 VanDerWaalsContact O-N 3.12Å; L872-C876 PolarHBondContact O-N 3.23Å; L872-C876 PolarHBondContact O-SG 2.68Å; L872-C876 VanDerWaalsContact O-SG 3.32Å; L872-L965 HydrophobicContact CD2-CD1 4.31Å; L872-L965 HydrophobicContact CD2-CD2 3.8Å
873I77.2Confident76.9Confident6 Ų667.5 Ų67.53%0.03134%0.336CS..Hα-helixtrans-60.7-42.2177.4-66.9166.5000111.2Y869 L875 C876 Q877 K930Y869-I873 WeakPolarHBondContact O-CG1 3.34Å; Y869-I873 PolarHBondContact O-N 2.66Å; I873-L875 VanDerWaalsContact C-N 3.33Å; I873-L875 PolarHBondContact O-N 3.08Å; I873-C876 PolarHBondContact O-N 2.69Å; I873-Q877 WeakPolarHBondContact O-CG 3.25Å; I873-Q877 PolarHBondContact O-N 2.8Å; I873-K930 HydrophobicContact CD1-CB 4.17Å; I873-K930 HydrophobicContact CD1-CG 4.45Å
874K78.2Confident77.5Confident115 Ų11565.7 Ų65.750%0.533%0.326SS..Hα-helixtrans-61.9-38.5175.1-75.4170.6-178.3170.40112.4Q870 S871 L872 S878Q870-K874 WeakPolarHBondContact O-CD 3.18Å; Q870-K874 VanDerWaalsContact O-CG 3.3Å; Q870-K874 WeakPolarHBondContact O-CG 3.4Å; Q870-K874 PolarHBondContact O-N 3.05Å; S871-K874 PolarHBondContact O-N 2.94Å; L872-K874 VanDerWaalsContact C-N 3.34Å; L872-K874 PolarHBondContact O-N 2.88Å; K874-S878 WeakPolarHBondContact O-CB 3.48Å; K874-S878 PolarHBondContact O-N 3.42Å; K874-S878 PolarHBondContact O-OG 2.61Å
875L81.1Confident78.1Confident116 Ų11665.9 Ų65.961%0.60733%0.33SS*.Hα-helixtrans-65.6-45177.7-175.863.6000111.3S871 L872 I873 S878 K879S871-L875 PolarHBondContact O-N 3.33Å; L872-L875 WeakPolarHBondContact O-CB 3.49Å; L872-L875 PolarHBondContact O-N 2.89Å; L872-L875 VanDerWaalsContact O-N 3.12Å; I873-L875 VanDerWaalsContact C-N 3.33Å; I873-L875 PolarHBondContact O-N 3.08Å; L875-S878 WeakPolarHBondContact O-CB 3.39Å; L875-S878 PolarHBondContact O-N 3.23Å; L875-K879 PolarHBondContact O-N 2.72Å
876C80.2Confident78.5Confident5 Ų566.4 Ų66.43%0.03433%0.333CS..Hα-helixtrans-60.6-47.2175.7-62.40000112L872 I873 S878 K879 I880 F926 L972L872-C876 PolarHBondContact O-N 3.23Å; L872-C876 PolarHBondContact O-SG 2.68Å; L872-C876 VanDerWaalsContact O-SG 3.32Å; I873-C876 PolarHBondContact O-N 2.69Å; C876-S878 VanDerWaalsContact C-N 3.25Å; C876-S878 PolarHBondContact O-N 3.28Å; C876-K879 PolarHBondContact O-N 3.1Å; C876-I880 WeakPolarHBondContact O-CG1 3.16Å; C876-I880 PolarHBondContact O-N 2.83Å; C876-F926 HydrophobicContact CB-CD1 4.25Å; C876-F926 HydrophobicContact CB-CD2 4.25Å; C876-F926 HydrophobicContact CB-CE1 3.85Å; C876-F926 HydrophobicContact CB-CE2 3.85Å; C876-F926 HydrophobicContact CB-CG 4.45Å; C876-F926 HydrophobicContact CB-CZ 3.64Å; C876-L972 HydrophobicContact CB-CD2 4.13Å
877Q80.9Confident78.7Confident46 Ų4660.9 Ų60.922%0.21531%0.312CS..Hα-helixtrans-59.8-35.5175.4-71.6178.9-29.100112.3I873 T881 N927I873-Q877 WeakPolarHBondContact O-CG 3.25Å; I873-Q877 PolarHBondContact O-N 2.8Å; Q877-T881 WeakPolarHBondContact O-CB 3.25Å; Q877-T881 PolarHBondContact O-N 3.3Å; Q877-T881 PolarHBondContact O-OG1 2.78Å; Q877-N927 PolarHBondContact NE2-OD1 3.24Å; Q877-N927 VanDerWaalsContact NE2-OD1 3.08Å
878S82.7Confident78.8Confident73 Ų7359.4 Ų59.451%0.5131%0.307SS..Hα-helixtrans-67.5-42.8175.2-56.70000112.2K874 L875 C876 T881 W882K874-S878 WeakPolarHBondContact O-CB 3.48Å; K874-S878 PolarHBondContact O-N 3.42Å; K874-S878 PolarHBondContact O-OG 2.61Å; L875-S878 WeakPolarHBondContact O-CB 3.39Å; L875-S878 PolarHBondContact O-N 3.23Å; C876-S878 VanDerWaalsContact C-N 3.25Å; C876-S878 PolarHBondContact O-N 3.28Å; S878-T881 PolarHBondContact O-N 2.81Å; S878-W882 PolarHBondContact O-N 2.89Å
879K83.6Confident78.7Confident59 Ų5959 Ų5926%0.25730%0.302SS..Hα-helixtrans-64.1-42176.4-174.7172175.4177.20112L875 C876 T881 W882 I883 L972 D973 D976L875-K879 PolarHBondContact O-N 2.72Å; C876-K879 PolarHBondContact O-N 3.1Å; K879-T881 VanDerWaalsContact C-N 3.33Å; K879-T881 PolarHBondContact O-N 3.45Å; K879-W882 PolarHBondContact O-N 3.48Å; K879-I883 HydrophobicContact CG-CD1 4.38Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.41Å; K879-L972 HydrophobicContact CB-CD2 4.29Å; K879-L972 HydrophobicContact CD-CD1 4.36Å; K879-L972 HydrophobicContact CD-CD2 4.01Å; K879-L972 HydrophobicContact CD-CG 4Å; K879-L972 HydrophobicContact CG-CD1 4.23Å; K879-L972 HydrophobicContact CG-CD2 4.39Å; K879-L972 HydrophobicContact CG-CG 4.39Å; K879-D973 IonicContact NZ-OD1 2.97Å; K879-D973 PolarHBondContact NZ-OD1 2.78Å; K879-D976 WeakPolarHBondContact CE-OD2 3.49Å; K879-D976 IonicContact NZ-OD2 2.67Å; K879-D976 PolarHBondContact NZ-OD2 3.39Å
880I83.3Confident78.6Confident4 Ų458.7 Ų58.72%0.02131%0.305CS..Hα-helixtrans-59.8-44173.7-65170.1000111C876 W882 I883 L884 A919 L922 N923 F926 L972C876-I880 WeakPolarHBondContact O-CG1 3.16Å; C876-I880 PolarHBondContact O-N 2.83Å; I880-W882 VanDerWaalsContact C-N 3.33Å; I880-W882 PolarHBondContact O-N 3.23Å; I880-I883 PolarHBondContact O-N 2.82Å; I880-L884 HydrophobicContact CG2-CD1 4.08Å; I880-L884 WeakPolarHBondContact O-CG 3.28Å; I880-L884 PolarHBondContact O-N 3.27Å; I880-A919 HydrophobicContact CG2-CB 4.34Å; I880-L922 HydrophobicContact CD1-CB 4.4Å; I880-L922 HydrophobicContact CD1-CD2 4.17Å; I880-L922 HydrophobicContact CD1-CG 4.04Å; I880-N923 HydrophobicContact CD1-CB 4.19Å; I880-N923 HydrophobicContact CG2-CB 4.38Å; I880-F926 HydrophobicContact CD1-CD2 3.82Å; I880-F926 HydrophobicContact CD1-CE2 4.01Å; I880-L972 HydrophobicContact CD1-CD1 4.39Å; I880-L972 HydrophobicContact CG1-CD1 3.53Å
881T82.6Confident78.4Confident83 Ų8356.3 Ų56.351%0.50929%0.293SS..Hα-helixtrans-63.2-38.1178.9-55.90000111.9Q877 S878 K879 T885Q877-T881 WeakPolarHBondContact O-CB 3.25Å; Q877-T881 PolarHBondContact O-N 3.3Å; Q877-T881 PolarHBondContact O-OG1 2.78Å; S878-T881 PolarHBondContact O-N 2.81Å; K879-T881 VanDerWaalsContact C-N 3.33Å; K879-T881 PolarHBondContact O-N 3.45Å; T881-T885 PolarHBondContact O-N 2.89Å; T881-T885 PolarHBondContact O-OG1 3.49Å
882W83.4Confident77.9Confident121 Ų12159 Ų5946%0.45830%0.298SS..Hα-helixtrans-66.1-46.6174.7176.472.3000112.4S878 K879 I880 L884 T885 E886S878-W882 PolarHBondContact O-N 2.89Å; K879-W882 PolarHBondContact O-N 3.48Å; I880-W882 VanDerWaalsContact C-N 3.33Å; I880-W882 PolarHBondContact O-N 3.23Å; W882-L884 VanDerWaalsContact C-N 3.33Å; W882-L884 PolarHBondContact O-N 3.08Å; W882-T885 WeakPolarHBondContact O-CA 3.23Å; W882-T885 WeakPolarHBondContact O-CB 3.24Å; W882-T885 PolarHBondContact O-N 3.33Å; W882-E886 HydrophobicContact CD2-CG 4.1Å; W882-E886 HydrophobicContact CH2-CG 4.27Å; W882-E886 HydrophobicContact CZ2-CG 3.52Å; W882-E886 PolarHBondContact NE1-OE1 2.84Å; W882-E886 VanDerWaalsContact NE1-OE1 3.13Å; W882-E886 PolarHBondContact O-N 2.87Å
883I81.4Confident77.3Confident2 Ų261.2 Ų61.21%0.0131%0.31CS..Hα-helixtrans-55-49.1176.5-68.7169.1000110.4K879 I880 T885 M887 L972 D976K879-I883 HydrophobicContact CG-CD1 4.38Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.41Å; I880-I883 PolarHBondContact O-N 2.82Å; I883-T885 PolarHBondContact O-N 3.34Å; I883-M887 HydrophobicContact CG2-CG 4.41Å; I883-M887 HydrophobicContact CG2-SD 3.9Å; I883-M887 VanDerWaalsContact O-CB 3.3Å; I883-M887 WeakPolarHBondContact O-CB 3.39Å; I883-M887 VanDerWaalsContact O-CG 3.22Å; I883-M887 WeakPolarHBondContact O-CG 3.5Å; I883-M887 PolarHBondContact O-N 3.12Å; I883-L972 HydrophobicContact CD1-CD1 4.2Å; I883-D976 HydrophobicContact CD1-CB 4.15Å
884L81.3Confident76.5Confident39 Ų3964.3 Ų64.320%0.20433%0.326CS..Hα-helixtrans-61-25.8176.7-71.9170.2000113.2I880 W882 N888 E916 A919I880-L884 HydrophobicContact CG2-CD1 4.08Å; I880-L884 WeakPolarHBondContact O-CG 3.28Å; I880-L884 PolarHBondContact O-N 3.27Å; W882-L884 VanDerWaalsContact C-N 3.33Å; W882-L884 PolarHBondContact O-N 3.08Å; L884-N888 PolarHBondContact O-N 3.28Å; L884-N888 PolarHBondContact O-ND2 2.89Å; L884-E916 HydrophobicContact CD2-CG 3.91Å; L884-A919 HydrophobicContact CD2-CB 3.91Å; L884-A919 HydrophobicContact CG-CB 4.18Å
885T81.7Confident75.6Confident76 Ų7664.5 Ų64.547%0.46633%0.333SS..Hα-helixtrans-81.2-51.7180-55.90000111.7T881 W882 I883 M887 N888 Q889T881-T885 PolarHBondContact O-N 2.89Å; T881-T885 PolarHBondContact O-OG1 3.49Å; W882-T885 WeakPolarHBondContact O-CA 3.23Å; W882-T885 WeakPolarHBondContact O-CB 3.24Å; W882-T885 PolarHBondContact O-N 3.33Å; I883-T885 PolarHBondContact O-N 3.34Å; T885-M887 VanDerWaalsContact C-N 3.27Å; T885-M887 PolarHBondContact O-N 3.24Å; T885-N888 PolarHBondContact O-N 2.95Å; T885-N888 VanDerWaalsContact O-N 3.13Å; T885-Q889 PolarHBondContact O-N 2.97Å
886E76.4Confident74.4Confident70 Ų7065 Ų6533%0.32734%0.336SS..Hα-helixtrans-59.5-37.8176.4-71.3-66159.800112.4W882 Q889 S890W882-E886 HydrophobicContact CD2-CG 4.1Å; W882-E886 HydrophobicContact CH2-CG 4.27Å; W882-E886 HydrophobicContact CZ2-CG 3.52Å; W882-E886 PolarHBondContact NE1-OE1 2.84Å; W882-E886 VanDerWaalsContact NE1-OE1 3.13Å; W882-E886 PolarHBondContact O-N 2.87Å; E886-Q889 PolarHBondContact O-N 3.5Å; E886-S890 WeakPolarHBondContact O-CB 3.49Å; E886-S890 PolarHBondContact O-N 3.39Å; E886-S890 PolarHBondContact O-OG 2.92Å
887M74.3Confident73Confident5 Ų568.7 Ų68.73%0.02536%0.359CS..Hα-helixtrans-60.5-53.4172.3-77.4-176.173.900110.9I883 T885 Q889 S890 K891 Y912 I915 E916I883-M887 HydrophobicContact CG2-CG 4.41Å; I883-M887 HydrophobicContact CG2-SD 3.9Å; I883-M887 VanDerWaalsContact O-CB 3.3Å; I883-M887 WeakPolarHBondContact O-CB 3.39Å; I883-M887 VanDerWaalsContact O-CG 3.22Å; I883-M887 WeakPolarHBondContact O-CG 3.5Å; I883-M887 PolarHBondContact O-N 3.12Å; T885-M887 VanDerWaalsContact C-N 3.27Å; T885-M887 PolarHBondContact O-N 3.24Å; M887-Q889 PolarHBondContact O-N 3.17Å; M887-S890 CarbonylContact O-C 3.59Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 WeakPolarHBondContact O-CB 3.35Å; M887-S890 PolarHBondContact O-N 3.5Å; M887-K891 PolarHBondContact O-N 3.21Å; M887-Y912 HydrophobicContact CB-CE2 3.69Å; M887-Y912 WeakPolarHBondContact CB-OH 3.37Å; M887-Y912 HydrophobicContact CE-CD1 4.26Å; M887-Y912 HydrophobicContact CE-CD2 3.89Å; M887-Y912 HydrophobicContact CE-CE1 4.1Å; M887-Y912 HydrophobicContact CE-CE2 3.8Å; M887-Y912 HydrophobicContact CE-CG 4.11Å; M887-Y912 VanDerWaalsContact CE-O 3.24Å; M887-Y912 WeakPolarHBondContact CE-O 3.37Å; M887-Y912 HydrophobicContact CG-CE2 4.36Å; M887-Y912 VanDerWaalsContact O-CE2 3.23Å; M887-Y912 WeakPolarHBondContact O-CE2 3.5Å; M887-Y912 PolarHBondContact O-OH 2.87Å; M887-I915 HydrophobicContact CE-CB 3.6Å; M887-I915 HydrophobicContact CE-CG2 3.55Å; M887-I915 HydrophobicContact SD-CB 4.14Å; M887-I915 HydrophobicContact SD-CG2 3.37Å; M887-I915 WeakPolarHBondContact SD-CG2 3.36Å; M887-E916 HydrophobicContact CE-CB 4.5Å
888N74.6Confident71.3Confident70 Ų7074.8 Ų74.837%0.37439%0.393SS..Hα-helixtrans-60.2-32.4-179-84.2-58.3000112.5L884 T885 K891 Q892 Y912L884-N888 PolarHBondContact O-N 3.28Å; L884-N888 PolarHBondContact O-ND2 2.89Å; T885-N888 PolarHBondContact O-N 2.95Å; T885-N888 VanDerWaalsContact O-N 3.13Å; N888-K891 PolarHBondContact O-N 3.3Å; N888-Q892 WeakPolarHBondContact O-CG 3.44Å; N888-Q892 PolarHBondContact O-N 3.21Å; N888-Q892 VanDerWaalsContact O-N 3.13Å; N888-Y912 VanDerWaalsContact CA-OH 3.28Å; N888-Y912 WeakPolarHBondContact CA-OH 3.07Å; N888-Y912 PolarHBondContact N-OH 3.24Å; N888-Y912 VanDerWaalsContact N-OH 3.09Å; N888-Y912 PolarHBondContact OD1-OH 2.86Å
889Q71.3Confident69.5Low110 Ų11077.9 Ų77.951%0.51440%0.402SS..Hα-helixtrans-69.9-38.8172.6-163.9163-900112.4T885 E886 M887 Q892 N893T885-Q889 PolarHBondContact O-N 2.97Å; E886-Q889 PolarHBondContact O-N 3.5Å; M887-Q889 PolarHBondContact O-N 3.17Å; Q889-Q892 PolarHBondContact O-N 3.41Å; Q889-N893 PolarHBondContact O-N 2.7Å; Q889-N893 VanDerWaalsContact O-N 3.17Å; Q889-N893 PolarHBondContact O-ND2 3.43Å
890S68.5Low67.6Low24 Ų2483.4 Ų83.417%0.16843%0.429CS..Hα-helixtrans-65.3-38.1172.2-58.70000112.5E886 M887 Q892 N893 L894 H983E886-S890 WeakPolarHBondContact O-CB 3.49Å; E886-S890 PolarHBondContact O-N 3.39Å; E886-S890 PolarHBondContact O-OG 2.92Å; M887-S890 CarbonylContact O-C 3.59Å; M887-S890 WeakPolarHBondContact O-CA 3.43Å; M887-S890 WeakPolarHBondContact O-CB 3.35Å; M887-S890 PolarHBondContact O-N 3.5Å; S890-Q892 VanDerWaalsContact C-N 3.34Å; S890-Q892 PolarHBondContact O-N 2.78Å; S890-N893 PolarHBondContact O-N 3.13Å; S890-L894 PolarHBondContact O-N 3.47Å; S890-H983 PolarHBondContact OG-ND1 2.84Å
891K69Low65.7Low31 Ų3190.4 Ų90.414%0.13547%0.466CS..Hα-helixtrans-62.3-39.9174.4-155.3178.8-153.9155.30111.7M887 N888 N893 N895 Y909 Y912 N913 E916M887-K891 PolarHBondContact O-N 3.21Å; N888-K891 PolarHBondContact O-N 3.3Å; K891-N893 VanDerWaalsContact C-N 3.34Å; K891-N895 PolarHBondContact O-N 3.47Å; K891-Y909 WeakPolarHBondContact CE-OH 3.45Å; K891-Y912 HydrophobicContact CB-CD2 4.45Å; K891-Y912 HydrophobicContact CB-CE2 3.73Å; K891-Y912 HydrophobicContact CD-CD1 4.04Å; K891-Y912 HydrophobicContact CD-CE1 3.54Å; K891-Y912 HydrophobicContact CD-CE2 4.27Å; K891-Y912 HydrophobicContact CG-CE1 4.27Å; K891-Y912 HydrophobicContact CG-CE2 4.15Å; K891-Y912 VanDerWaalsContact NZ-CD1 3.29Å; K891-N913 PolarHBondContact NZ-OD1 3.04Å; K891-E916 IonicContact NZ-OE2 3.65Å
892Q67.8Low64.2Low127 Ų12791.6 Ų91.659%0.59347%0.47SS*.Hα-helixtrans-66.7-33.4174.9-72.7176.916.600112.6N888 Q889 S890 N896N888-Q892 WeakPolarHBondContact O-CG 3.44Å; N888-Q892 PolarHBondContact O-N 3.21Å; N888-Q892 VanDerWaalsContact O-N 3.13Å; Q889-Q892 PolarHBondContact O-N 3.41Å; S890-Q892 VanDerWaalsContact C-N 3.34Å; S890-Q892 PolarHBondContact O-N 2.78Å; Q892-N896 PolarHBondContact O-ND2 3.28Å
893N63.4Low63Low104 Ų10492.5 Ų92.556%0.55648%0.483SS*.Hα-helixtrans-69-39.3177.2-70-31000112.8Q889 S890 K891 N895 N896Q889-N893 PolarHBondContact O-N 2.7Å; Q889-N893 VanDerWaalsContact O-N 3.17Å; Q889-N893 PolarHBondContact O-ND2 3.43Å; S890-N893 PolarHBondContact O-N 3.13Å; K891-N893 VanDerWaalsContact C-N 3.34Å; N893-N895 VanDerWaalsContact C-N 3.33Å; N893-N895 PolarHBondContact O-N 3.09Å; N893-N896 PolarHBondContact O-N 3.35Å
894L60.4Low61.9Low71 Ų7196.1 Ų96.137%0.37250%0.503SS..Hα-helixtrans-63-36.9176.1-81.1160.3000112.6S890 N896S890-L894 PolarHBondContact O-N 3.47Å; L894-N896 PolarHBondContact O-N 3.04Å
895N59.3Low60.7Low119 Ų11998.7 Ų98.764%0.63651%0.514SS*.THydrogen-bonded Turntrans-69.62.1-180-71.5-9.5000115.1K891 N893K891-N895 PolarHBondContact O-N 3.47Å; N893-N895 VanDerWaalsContact C-N 3.33Å; N893-N895 PolarHBondContact O-N 3.09Å
896N56.1Low60Low127 Ų127100.4 Ų100.468%0.67952%0.516SS*.THydrogen-bonded Turntrans-110.811.6-172.2-74.2-38.5000114.8Q892 N893 L894Q892-N896 PolarHBondContact O-ND2 3.28Å; N893-N896 PolarHBondContact O-N 3.35Å; L894-N896 PolarHBondContact O-N 3.04Å
897T50.5Low59.7Low82 Ų82102 Ų10250%0.50353%0.527SS..  trans-129.1103.6179.640.80000113.3I899T897-I899 PolarHBondContact O-N 2.84Å
898D45.1Very low59.5Low174 Ų174103.1 Ų103.193%0.9353%0.533SS*.  trans-70.391.1172.8-64.3-50.8000111.8
899I45.7Very low59.4Low137 Ų137104.9 Ų104.970%0.70354%0.535SS*.  trans-133.4107.7164.8-58-177000108.8T897T897-I899 PolarHBondContact O-N 2.84Å
900E44.2Very low59.8Low176 Ų176103.2 Ų103.282%0.82253%0.53SS*.  trans-69.7141.1-169.1-57.4179.4127.600114.4
901N42.6Very low60.3Low151 Ų151105.6 Ų105.681%0.80754%0.538SS*.  trans59.486.2160.9-64.4-63000117.5
902N51.4Low60.7Low108 Ų108104.5 Ų104.558%0.57853%0.534SS*.  trans-146.7133.2152.3-145.7-14.1000112N904 E905N902-N904 PolarHBondContact O-N 2.82Å; N902-E905 PolarHBondContact O-N 2.9Å
903N57.3Low61.3Low139 Ų139101.2 Ų101.274%0.74352%0.52SS*.THydrogen-bonded Turntrans-60.8-26.7-167.9-71-8.3000114E905 Q906N903-E905 PolarHBondContact O-N 3.49Å; N903-E905 VanDerWaalsContact O-N 3.15Å; N903-Q906 WeakPolarHBondContact O-CB 3.33Å; N903-Q906 PolarHBondContact O-N 3.28Å; N903-Q906 VanDerWaalsContact O-N 3.11Å
904N59.3Low62.3Low79 Ų79100.2 Ų100.242%0.42251%0.512SS..Hα-helixtrans-59.1-25.1-177.6-60.88.3000114.1N902 Q906 D907 L908N902-N904 PolarHBondContact O-N 2.82Å; N904-Q906 VanDerWaalsContact C-N 3.32Å; N904-D907 PolarHBondContact O-N 3.19Å; N904-L908 PolarHBondContact O-N 3.36Å
905E56.8Low63.3Low93 Ų9396.8 Ų96.844%0.43549%0.494SS..Hα-helixtrans-68.9-32.1178-67.1-169.2137.300112.3N902 N903 D907 L908 Y909N902-E905 PolarHBondContact O-N 2.9Å; N903-E905 PolarHBondContact O-N 3.49Å; N903-E905 VanDerWaalsContact O-N 3.15Å; E905-D907 VanDerWaalsContact C-N 3.33Å; E905-D907 PolarHBondContact O-N 2.85Å; E905-L908 PolarHBondContact O-N 3.36Å; E905-Y909 WeakPolarHBondContact O-CB 3.3Å; E905-Y909 PolarHBondContact O-N 2.82Å
906Q66.8Low64.5Low111 Ų11193 Ų9352%0.51947%0.473SS..Hα-helixtrans-66.8-37.8178.2-172.560.963.700111N903 N904 Y909 N910N903-Q906 WeakPolarHBondContact O-CB 3.33Å; N903-Q906 PolarHBondContact O-N 3.28Å; N903-Q906 VanDerWaalsContact O-N 3.11Å; N904-Q906 VanDerWaalsContact C-N 3.32Å; Q906-Y909 PolarHBondContact O-N 3.42Å; Q906-N910 PolarHBondContact NE2-OD1 3.38Å; Q906-N910 WeakPolarHBondContact O-CB 3.19Å; Q906-N910 PolarHBondContact O-N 2.9Å; Q906-N910 PolarHBondContact O-ND2 2.96Å; Q906-N910 PolarHBondContact O-OD1 3.41Å
907D69.5Low65.8Low105 Ų10591.5 Ų91.556%0.56146%0.464SS*.Hα-helixtrans-69.2-41.7178.5-65.9-34000111.7N904 E905 Y909 N910 E911N904-D907 PolarHBondContact O-N 3.19Å; E905-D907 VanDerWaalsContact C-N 3.33Å; E905-D907 PolarHBondContact O-N 2.85Å; D907-Y909 VanDerWaalsContact C-N 3.31Å; D907-Y909 PolarHBondContact O-N 2.77Å; D907-N910 PolarHBondContact O-N 2.65Å; D907-E911 PolarHBondContact O-N 2.98Å
908L69.5Low67.5Low28 Ų2889.7 Ų89.715%0.14745%0.451CS..Hα-helixtrans-59.9-40171.1-73.6168.5000112N904 E905 Y912 L982N904-L908 PolarHBondContact O-N 3.36Å; E905-L908 PolarHBondContact O-N 3.36Å; L908-Y912 WeakPolarHBondContact O-CB 3.37Å; L908-Y912 PolarHBondContact O-N 2.81Å; L908-L982 HydrophobicContact CD2-CD1 3.61Å
909Y72.4Confident69.3Low106 Ų10681.5 Ų81.542%0.41641%0.408SS..Hα-helixtrans-70.7-32.7176.5-162.9-92.4000112.6K891 E905 Q906 D907 Y912 N913K891-Y909 WeakPolarHBondContact CE-OH 3.45Å; E905-Y909 WeakPolarHBondContact O-CB 3.3Å; E905-Y909 PolarHBondContact O-N 2.82Å; Q906-Y909 PolarHBondContact O-N 3.42Å; D907-Y909 VanDerWaalsContact C-N 3.31Å; D907-Y909 PolarHBondContact O-N 2.77Å; Y909-Y912 WeakPolarHBondContact O-CB 3.44Å; Y909-N913 WeakPolarHBondContact CD1-ND2 3.4Å; Y909-N913 WeakPolarHBondContact CE1-ND2 3.49Å; Y909-N913 VanDerWaalsContact O-CG 3.27Å; Y909-N913 PolarHBondContact O-N 3.27Å; Y909-N913 PolarHBondContact O-ND2 3.25Å
910N80Confident71.1Confident76 Ų7679.5 Ų79.541%0.40639%0.394SS..Hα-helixtrans-68.4-50175-66.6-20.4000111Q906 D907 Y912 N913 Q914Q906-N910 PolarHBondContact NE2-OD1 3.38Å; Q906-N910 WeakPolarHBondContact O-CB 3.19Å; Q906-N910 PolarHBondContact O-N 2.9Å; Q906-N910 PolarHBondContact O-ND2 2.96Å; Q906-N910 PolarHBondContact O-OD1 3.41Å; D907-N910 PolarHBondContact O-N 2.65Å; N910-Y912 VanDerWaalsContact C-N 3.29Å; N910-Y912 PolarHBondContact O-N 3.23Å; N910-N913 PolarHBondContact O-N 2.91Å; N910-N913 VanDerWaalsContact O-N 3.11Å; N910-Q914 PolarHBondContact O-N 2.81Å
911E79.2Confident73Confident73 Ų7374.8 Ų74.834%0.34138%0.377SS..Hα-helixtrans-59.1-40.6177-174.561.9-156.600111.1D907 N913 Q914 I915 R978 L982D907-E911 PolarHBondContact O-N 2.98Å; E911-N913 PolarHBondContact O-N 3.46Å; E911-Q914 PolarHBondContact O-N 3.37Å; E911-I915 HydrophobicContact CG-CD1 4.16Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.92Å; E911-R978 IonicContact OE1-CZ 3.61Å; E911-R978 VanDerWaalsContact OE1-CZ 3.25Å; E911-R978 IonicContact OE1-NE 3.25Å; E911-R978 PolarHBondContact OE1-NE 3.01Å; E911-R978 IonicContact OE1-NH2 2.69Å; E911-R978 PolarHBondContact OE1-NH2 3.2Å; E911-R978 IonicContact OE2-NH2 3.66Å; E911-L982 HydrophobicContact CB-CD1 4.24Å; E911-L982 HydrophobicContact CG-CD1 4.08Å
912Y78.1Confident75.1Confident9 Ų967.8 Ų67.84%0.03534%0.34CS..Hα-helixtrans-52.9-53171.7-178-74.4000112.2M887 N888 K891 L908 Y909 N910 Q914 I915 E916 L982M887-Y912 HydrophobicContact CB-CE2 3.69Å; M887-Y912 WeakPolarHBondContact CB-OH 3.37Å; M887-Y912 HydrophobicContact CE-CD1 4.26Å; M887-Y912 HydrophobicContact CE-CD2 3.89Å; M887-Y912 HydrophobicContact CE-CE1 4.1Å; M887-Y912 HydrophobicContact CE-CE2 3.8Å; M887-Y912 HydrophobicContact CE-CG 4.11Å; M887-Y912 VanDerWaalsContact CE-O 3.24Å; M887-Y912 WeakPolarHBondContact CE-O 3.37Å; M887-Y912 HydrophobicContact CG-CE2 4.36Å; M887-Y912 VanDerWaalsContact O-CE2 3.23Å; M887-Y912 WeakPolarHBondContact O-CE2 3.5Å; M887-Y912 PolarHBondContact O-OH 2.87Å; N888-Y912 VanDerWaalsContact CA-OH 3.28Å; N888-Y912 WeakPolarHBondContact CA-OH 3.07Å; N888-Y912 PolarHBondContact N-OH 3.24Å; N888-Y912 VanDerWaalsContact N-OH 3.09Å; N888-Y912 PolarHBondContact OD1-OH 2.86Å; K891-Y912 HydrophobicContact CB-CD2 4.45Å; K891-Y912 HydrophobicContact CB-CE2 3.73Å; K891-Y912 HydrophobicContact CD-CD1 4.04Å; K891-Y912 HydrophobicContact CD-CE1 3.54Å; K891-Y912 HydrophobicContact CD-CE2 4.27Å; K891-Y912 HydrophobicContact CG-CE1 4.27Å; K891-Y912 HydrophobicContact CG-CE2 4.15Å; K891-Y912 VanDerWaalsContact NZ-CD1 3.29Å; L908-Y912 WeakPolarHBondContact O-CB 3.37Å; L908-Y912 PolarHBondContact O-N 2.81Å; Y909-Y912 WeakPolarHBondContact O-CB 3.44Å; N910-Y912 VanDerWaalsContact C-N 3.29Å; N910-Y912 PolarHBondContact O-N 3.23Å; Y912-Q914 VanDerWaalsContact C-N 3.27Å; Y912-Q914 PolarHBondContact O-N 3.44Å; Y912-I915 PolarHBondContact O-N 3.33Å; Y912-E916 HydrophobicContact CE1-CB 4.44Å; Y912-E916 WeakPolarHBondContact CE1-OE2 3.25Å; Y912-E916 PolarHBondContact O-N 2.98Å; Y912-L982 HydrophobicContact CD2-CD2 4.31Å
913N80.8Confident76.7Confident58 Ų5865.2 Ų65.231%0.3133%0.326SS..Hα-helixtrans-69.5-28.4-175.1-62.4-42.6000111.5K891 Y909 N910 E911 E916 L917K891-N913 PolarHBondContact NZ-OD1 3.04Å; Y909-N913 WeakPolarHBondContact CD1-ND2 3.4Å; Y909-N913 WeakPolarHBondContact CE1-ND2 3.49Å; Y909-N913 VanDerWaalsContact O-CG 3.27Å; Y909-N913 PolarHBondContact O-N 3.27Å; Y909-N913 PolarHBondContact O-ND2 3.25Å; N910-N913 PolarHBondContact O-N 2.91Å; N910-N913 VanDerWaalsContact O-N 3.11Å; E911-N913 PolarHBondContact O-N 3.46Å; N913-E916 PolarHBondContact O-N 2.93Å; N913-L917 PolarHBondContact O-N 3.1Å; N913-L917 VanDerWaalsContact O-N 3.1Å
914Q82.9Confident78Confident82 Ų8264.8 Ų64.838%0.38332%0.32SS..Hα-helixtrans-67.3-46.9173.3-172.460.849.800111.6N910 E911 Y912 E916 L917 D918N910-Q914 PolarHBondContact O-N 2.81Å; E911-Q914 PolarHBondContact O-N 3.37Å; Y912-Q914 VanDerWaalsContact C-N 3.27Å; Y912-Q914 PolarHBondContact O-N 3.44Å; Q914-E916 VanDerWaalsContact C-N 3.26Å; Q914-E916 PolarHBondContact O-N 3.4Å; Q914-L917 WeakPolarHBondContact O-CB 3.45Å; Q914-L917 PolarHBondContact O-N 2.67Å; Q914-L917 VanDerWaalsContact O-N 3.08Å; Q914-D918 PolarHBondContact NE2-OD1 3.3Å; Q914-D918 WeakPolarHBondContact O-CB 3.43Å; Q914-D918 PolarHBondContact O-N 3.47Å
915I82.6Confident79.1Confident0 Ų062.5 Ų62.50%031%0.31CS..Hα-helixtrans-62.2-35.6176.7-62.5170.2000110.6M887 E911 Y912 L917 A919 L975 R978 L982M887-I915 HydrophobicContact CE-CB 3.6Å; M887-I915 HydrophobicContact CE-CG2 3.55Å; M887-I915 HydrophobicContact SD-CB 4.14Å; M887-I915 HydrophobicContact SD-CG2 3.37Å; M887-I915 WeakPolarHBondContact SD-CG2 3.36Å; E911-I915 HydrophobicContact CG-CD1 4.16Å; E911-I915 WeakPolarHBondContact O-CG1 3.49Å; E911-I915 PolarHBondContact O-N 2.92Å; Y912-I915 PolarHBondContact O-N 3.33Å; I915-L917 PolarHBondContact O-N 2.95Å; I915-A919 VanDerWaalsContact O-CB 3.3Å; I915-A919 WeakPolarHBondContact O-CB 3.23Å; I915-A919 PolarHBondContact O-N 3.34Å; I915-L975 HydrophobicContact CG2-CD2 3.79Å; I915-R978 HydrophobicContact CD1-CB 3.9Å; I915-R978 HydrophobicContact CG1-CB 4.27Å; I915-L982 HydrophobicContact CD1-CB 4.3Å; I915-L982 HydrophobicContact CD1-CD2 4.02Å
916E82.8Confident80.3Confident40 Ų4058.1 Ų58.119%0.18729%0.289CS..Hα-helixtrans-65.2-34.2174-159.6-165.2131.500113L884 M887 K891 Y912 N913 Q914 K920L884-E916 HydrophobicContact CD2-CG 3.91Å; M887-E916 HydrophobicContact CE-CB 4.5Å; K891-E916 IonicContact NZ-OE2 3.65Å; Y912-E916 HydrophobicContact CE1-CB 4.44Å; Y912-E916 WeakPolarHBondContact CE1-OE2 3.25Å; Y912-E916 PolarHBondContact O-N 2.98Å; N913-E916 PolarHBondContact O-N 2.93Å; Q914-E916 VanDerWaalsContact C-N 3.26Å; Q914-E916 PolarHBondContact O-N 3.4Å; E916-K920 WeakPolarHBondContact O-CD 3.13Å; E916-K920 WeakPolarHBondContact O-CG 3.46Å; E916-K920 PolarHBondContact O-N 3.47Å; E916-K920 IonicContact OE1-NZ 2.63Å; E916-K920 PolarHBondContact OE1-NZ 3.35Å
917L85.1Confident80.9Confident95 Ų9555.7 Ų55.750%0.49728%0.28SS..Hα-helixtrans-74.8-44.5176.3178.962.5000111.8N913 Q914 I915 A919 K920 T921N913-L917 PolarHBondContact O-N 3.1Å; N913-L917 VanDerWaalsContact O-N 3.1Å; Q914-L917 WeakPolarHBondContact O-CB 3.45Å; Q914-L917 PolarHBondContact O-N 2.67Å; Q914-L917 VanDerWaalsContact O-N 3.08Å; I915-L917 PolarHBondContact O-N 2.95Å; L917-A919 VanDerWaalsContact C-N 3.33Å; L917-A919 PolarHBondContact O-N 3.47Å; L917-K920 PolarHBondContact O-N 3.49Å; L917-T921 PolarHBondContact O-N 2.85Å; L917-T921 PolarHBondContact O-OG1 3.21Å
918D84.6Confident81.3Confident44 Ų4454.7 Ų54.724%0.23528%0.278CS..Hα-helixtrans-62.5-41179.2-65.2-22000110.8Q914 K920 T921 L922 L975 R978Q914-D918 PolarHBondContact NE2-OD1 3.3Å; Q914-D918 WeakPolarHBondContact O-CB 3.43Å; Q914-D918 PolarHBondContact O-N 3.47Å; D918-K920 PolarHBondContact O-N 3.5Å; D918-T921 PolarHBondContact O-N 2.89Å; D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3Å; D918-L975 HydrophobicContact CB-CD1 4.37Å; D918-L975 HydrophobicContact CB-CD2 3.91Å; D918-L975 HydrophobicContact CB-CG 4.38Å; D918-R978 IonicContact OD2-CZ 2.78Å; D918-R978 IonicContact OD2-NH1 2.7Å; D918-R978 PolarHBondContact OD2-NH1 2.94Å; D918-R978 IonicContact OD2-NH2 3.15Å
919A83.6Confident81.5Confident2 Ų254 Ų542%0.01727%0.274CS..Hα-helixtrans-62.3-38.217600000113.3I880 L884 I915 L917 N923 L975I880-A919 HydrophobicContact CG2-CB 4.34Å; L884-A919 HydrophobicContact CD2-CB 3.91Å; L884-A919 HydrophobicContact CG-CB 4.18Å; I915-A919 VanDerWaalsContact O-CB 3.3Å; I915-A919 WeakPolarHBondContact O-CB 3.23Å; I915-A919 PolarHBondContact O-N 3.34Å; L917-A919 VanDerWaalsContact C-N 3.33Å; L917-A919 PolarHBondContact O-N 3.47Å; A919-N923 PolarHBondContact O-N 2.92Å; A919-L975 HydrophobicContact CB-CD2 4.13Å
920K84.1Confident81.5Confident94 Ų9453.3 Ų53.341%0.40927%0.273SS..Hα-helixtrans-69.1-46.1175.6-70.6166.5-169.6166.30111.4E916 L917 D918 L922 N923 E924E916-K920 WeakPolarHBondContact O-CD 3.13Å; E916-K920 WeakPolarHBondContact O-CG 3.46Å; E916-K920 PolarHBondContact O-N 3.47Å; E916-K920 IonicContact OE1-NZ 2.63Å; E916-K920 PolarHBondContact OE1-NZ 3.35Å; L917-K920 PolarHBondContact O-N 3.49Å; D918-K920 PolarHBondContact O-N 3.5Å; K920-L922 VanDerWaalsContact C-N 3.27Å; K920-L922 PolarHBondContact O-N 2.8Å; K920-N923 WeakPolarHBondContact O-CB 3.23Å; K920-N923 PolarHBondContact O-N 3.36Å; K920-N923 VanDerWaalsContact O-N 3.09Å; K920-E924 PolarHBondContact O-N 2.94Å; K920-E924 VanDerWaalsContact O-N 3.14Å
921T84.4Confident81.1Confident77 Ų7756.8 Ų56.847%0.47229%0.287SS..Hα-helixtrans-57.6-41.2177.5-510000111.3L917 D918 E924 S925L917-T921 PolarHBondContact O-N 2.85Å; L917-T921 PolarHBondContact O-OG1 3.21Å; D918-T921 PolarHBondContact O-N 2.89Å; T921-E924 PolarHBondContact O-N 2.83Å; T921-S925 PolarHBondContact O-N 3.49Å
922L86Confident80.5Confident5 Ų558.4 Ų58.43%0.02630%0.297CS..Hα-helixtrans-66.8-37.5176.7-174.560.7000113I880 D918 K920 E924 S925 F926 D968 K971 L972 L975I880-L922 HydrophobicContact CD1-CB 4.4Å; I880-L922 HydrophobicContact CD1-CD2 4.17Å; I880-L922 HydrophobicContact CD1-CG 4.04Å; D918-L922 WeakPolarHBondContact O-CB 3.47Å; D918-L922 PolarHBondContact O-N 3Å; K920-L922 VanDerWaalsContact C-N 3.27Å; K920-L922 PolarHBondContact O-N 2.8Å; L922-E924 VanDerWaalsContact C-N 3.31Å; L922-E924 PolarHBondContact O-N 2.86Å; L922-S925 WeakPolarHBondContact O-CB 3.28Å; L922-S925 PolarHBondContact O-N 3.38Å; L922-F926 HydrophobicContact CD1-CD2 4.32Å; L922-F926 HydrophobicContact CD1-CE2 3.93Å; L922-F926 HydrophobicContact CD2-CE2 4.16Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.77Å; L922-F926 WeakPolarHBondContact O-CD2 3.5Å; L922-F926 PolarHBondContact O-N 2.92Å; L922-F926 VanDerWaalsContact O-N 3.1Å; L922-D968 HydrophobicContact CD1-CB 3.78Å; L922-K971 HydrophobicContact CD1-CB 3.86Å; L922-K971 HydrophobicContact CD1-CD 3.89Å; L922-K971 HydrophobicContact CD2-CB 4.14Å; L922-L972 HydrophobicContact CD2-CB 3.81Å; L922-L972 HydrophobicContact CD2-CD1 3.97Å; L922-L972 HydrophobicContact CD2-CG 4.47Å; L922-L975 HydrophobicContact CB-CD1 4.18Å; L922-L975 HydrophobicContact CD2-CD1 3.59Å
923N85.3Confident79.9Confident54 Ų5458.7 Ų58.729%0.28930%0.299SS..Hα-helixtrans-64.6-34.1175.9-172.755.2000112.4I880 A919 K920 N927I880-N923 HydrophobicContact CD1-CB 4.19Å; I880-N923 HydrophobicContact CG2-CB 4.38Å; A919-N923 PolarHBondContact O-N 2.92Å; K920-N923 WeakPolarHBondContact O-CB 3.23Å; K920-N923 PolarHBondContact O-N 3.36Å; K920-N923 VanDerWaalsContact O-N 3.09Å; N923-N927 PolarHBondContact O-N 3.34Å; N923-N927 VanDerWaalsContact O-N 3.17Å; N923-N927 PolarHBondContact O-ND2 2.84Å
924E83.5Confident79.1Confident129 Ų12958.7 Ų58.760%0.60330%0.296SS*.Hα-helixtrans-68.9-36.1173.1-68.7177.2179.400112K920 T921 L922 N927 T928K920-E924 PolarHBondContact O-N 2.94Å; K920-E924 VanDerWaalsContact O-N 3.14Å; T921-E924 PolarHBondContact O-N 2.83Å; L922-E924 VanDerWaalsContact C-N 3.31Å; L922-E924 PolarHBondContact O-N 2.86Å; E924-N927 PolarHBondContact O-N 3.32Å; E924-T928 PolarHBondContact O-N 2.81Å; E924-T928 PolarHBondContact O-OG1 3.43Å
925S82.5Confident78.1Confident31 Ų3158.1 Ų58.122%0.21730%0.301CS..Hα-helixtrans-60.8-49.5173.2-1560000111.9T921 L922 N927 T928 M929 D968T921-S925 PolarHBondContact O-N 3.49Å; L922-S925 WeakPolarHBondContact O-CB 3.28Å; L922-S925 PolarHBondContact O-N 3.38Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 2.81Å; S925-T928 WeakPolarHBondContact O-CB 3.28Å; S925-T928 PolarHBondContact O-N 2.95Å; S925-T928 VanDerWaalsContact O-N 3.09Å; S925-M929 WeakPolarHBondContact O-CB 3.44Å; S925-M929 PolarHBondContact O-N 2.86Å; S925-D968 VanDerWaalsContact CB-OD2 3.24Å; S925-D968 WeakPolarHBondContact CB-OD2 3.31Å; S925-D968 PolarHBondContact OG-OD1 3.05Å; S925-D968 PolarHBondContact OG-OD2 2.95Å
926F83Confident76.9Confident1 Ų162.5 Ų62.50%0.00433%0.325CS..Hα-helixtrans-61.4-33.6175.4-78.1-64.5000113.4C876 I880 L922 M929 K930 D968C876-F926 HydrophobicContact CB-CD1 4.25Å; C876-F926 HydrophobicContact CB-CD2 4.25Å; C876-F926 HydrophobicContact CB-CE1 3.85Å; C876-F926 HydrophobicContact CB-CE2 3.85Å; C876-F926 HydrophobicContact CB-CG 4.45Å; C876-F926 HydrophobicContact CB-CZ 3.64Å; I880-F926 HydrophobicContact CD1-CD2 3.82Å; I880-F926 HydrophobicContact CD1-CE2 4.01Å; L922-F926 HydrophobicContact CD1-CD2 4.32Å; L922-F926 HydrophobicContact CD1-CE2 3.93Å; L922-F926 HydrophobicContact CD2-CE2 4.16Å; L922-F926 HydrophobicContact CG-CD2 4.07Å; L922-F926 HydrophobicContact CG-CE2 3.77Å; L922-F926 WeakPolarHBondContact O-CD2 3.5Å; L922-F926 PolarHBondContact O-N 2.92Å; L922-F926 VanDerWaalsContact O-N 3.1Å; F926-M929 HydrophobicContact CD1-SD 4.4Å; F926-K930 WeakPolarHBondContact O-CB 3.45Å; F926-K930 PolarHBondContact O-N 3.33Å; F926-K930 VanDerWaalsContact O-N 3.08Å; F926-D968 HydrophobicContact CE1-CB 4.09Å; F926-D968 HydrophobicContact CE2-CB 4.29Å; F926-D968 HydrophobicContact CZ-CB 3.84Å
927N79.7Confident75.6Confident60 Ų6063.5 Ų63.532%0.32133%0.329SS..Hα-helixtrans-71.1-35.2173.9-75.9-50.9000112.6Q877 N923 E924 S925 K930 H931Q877-N927 PolarHBondContact NE2-OD1 3.24Å; Q877-N927 VanDerWaalsContact NE2-OD1 3.08Å; N923-N927 PolarHBondContact O-N 3.34Å; N923-N927 VanDerWaalsContact O-N 3.17Å; N923-N927 PolarHBondContact O-ND2 2.84Å; E924-N927 PolarHBondContact O-N 3.32Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 2.81Å; N927-K930 WeakPolarHBondContact O-CB 3.21Å; N927-K930 PolarHBondContact O-N 3.41Å; N927-H931 PolarHBondContact O-CD2 2.88Å; N927-H931 PolarHBondContact O-N 2.88Å
928T77.7Confident74.1Confident85 Ų8565.5 Ų65.552%0.52134%0.34SS..Hα-helixtrans-68.2-45175.9-54.30000111E924 S925 K930 H931 L932E924-T928 PolarHBondContact O-N 2.81Å; E924-T928 PolarHBondContact O-OG1 3.43Å; S925-T928 WeakPolarHBondContact O-CB 3.28Å; S925-T928 PolarHBondContact O-N 2.95Å; S925-T928 VanDerWaalsContact O-N 3.09Å; T928-K930 VanDerWaalsContact C-N 3.29Å; T928-K930 PolarHBondContact O-N 2.86Å; T928-H931 WeakPolarHBondContact O-CB 3.29Å; T928-H931 PolarHBondContact O-N 3.23Å; T928-L932 PolarHBondContact O-N 2.9Å
929M73.1Confident72.4Confident13 Ų1368 Ų686%0.06437%0.367CS..Hα-helixtrans-58.9-38.7174.3-173.5-179-66.400112.5S925 F926 H931 L932 I933 H964 L965 D968S925-M929 WeakPolarHBondContact O-CB 3.44Å; S925-M929 PolarHBondContact O-N 2.86Å; F926-M929 HydrophobicContact CD1-SD 4.4Å; M929-H931 PolarHBondContact O-N 2.9Å; M929-L932 PolarHBondContact O-N 3.47Å; M929-I933 HydrophobicContact CG-CD1 3.73Å; M929-I933 HydrophobicContact CG-CG1 4.39Å; M929-I933 WeakPolarHBondContact O-CG1 3.48Å; M929-I933 PolarHBondContact O-N 3.42Å; M929-H964 HydrophobicContact CE-CB 3.95Å; M929-L965 HydrophobicContact CE-CB 4.1Å; M929-L965 HydrophobicContact CE-CG 4.43Å; M929-L965 HydrophobicContact SD-CB 3.81Å; M929-L965 HydrophobicContact SD-CD1 3.84Å; M929-L965 HydrophobicContact SD-CG 3.62Å; M929-D968 HydrophobicContact CE-CB 4.38Å; M929-D968 WeakPolarHBondContact CE-OD2 3.37Å
930K73Confident70.4Confident92 Ų9276.4 Ų76.440%0.441%0.406SS..Hα-helixtrans-63.1-24.3172.7-175.9-169.9165.1-159.20113.3I873 F926 N927 T928 F934I873-K930 HydrophobicContact CD1-CB 4.17Å; I873-K930 HydrophobicContact CD1-CG 4.45Å; F926-K930 WeakPolarHBondContact O-CB 3.45Å; F926-K930 PolarHBondContact O-N 3.33Å; F926-K930 VanDerWaalsContact O-N 3.08Å; N927-K930 WeakPolarHBondContact O-CB 3.21Å; N927-K930 PolarHBondContact O-N 3.41Å; T928-K930 VanDerWaalsContact C-N 3.29Å; T928-K930 PolarHBondContact O-N 2.86Å; K930-F934 HydrophobicContact CG-CD2 4.44Å; K930-F934 HydrophobicContact CG-CE2 4.38Å; K930-F934 WeakPolarHBondContact O-CD2 3.49Å
931H71.9Confident68.2Low149 Ų14978.4 Ų78.469%0.6942%0.416SS*.Hα-helixtrans-79.9-46.9171.7-86.2-79000111.8N927 T928 M929 F934 S935N927-H931 PolarHBondContact O-CD2 2.88Å; N927-H931 PolarHBondContact O-N 2.88Å; T928-H931 WeakPolarHBondContact O-CB 3.29Å; T928-H931 PolarHBondContact O-N 3.23Å; M929-H931 PolarHBondContact O-N 2.9Å; H931-F934 PolarHBondContact O-N 3.45Å; H931-S935 PolarHBondContact O-N 3.35Å
932L66.5Low66.2Low106 Ų10681.5 Ų81.556%0.55543%0.43SS*.Hα-helixtrans-61.3-46.9-179.4-65.4169.7000112.7T928 M929 F934 S935T928-L932 PolarHBondContact O-N 2.9Å; M929-L932 PolarHBondContact O-N 3.47Å; L932-F934 PolarHBondContact O-N 2.84Å; L932-F934 VanDerWaalsContact O-N 3.13Å; L932-S935 PolarHBondContact O-N 3.27Å; L932-S935 PolarHBondContact O-OG 2.88Å
933I64.9Low64.2Low16 Ų1687.3 Ų87.38%0.08247%0.466CS..Hα-helixtrans-64.2-21.7179.9-66.4173.4000112.2Y869 M929 F937Y869-I933 HydrophobicContact CD1-CD1 4.2Å; Y869-I933 HydrophobicContact CE1-CD1 4.46Å; Y869-I933 HydrophobicContact CG-CG2 4.43Å; M929-I933 HydrophobicContact CG-CD1 3.73Å; M929-I933 HydrophobicContact CG-CG1 4.39Å; M929-I933 WeakPolarHBondContact O-CG1 3.48Å; M929-I933 PolarHBondContact O-N 3.42Å; I933-F937 WeakPolarHBondContact O-CD2 3.48Å
934F63.5Low62.6Low57 Ų5788.8 Ų88.825%0.2547%0.473CS..Hα-helixtrans-101.2-7.5-175.8-78.4-105.6000114.3R866 Q870 K930 H931 L932R866-F934 HydrophobicContact CG-CE1 4.23Å; Q870-F934 HydrophobicContact CB-CZ 4.37Å; Q870-F934 HydrophobicContact CG-CZ 4.48Å; K930-F934 HydrophobicContact CG-CD2 4.44Å; K930-F934 HydrophobicContact CG-CE2 4.38Å; K930-F934 WeakPolarHBondContact O-CD2 3.49Å; H931-F934 PolarHBondContact O-N 3.45Å; L932-F934 PolarHBondContact O-N 2.84Å; L932-F934 VanDerWaalsContact O-N 3.13Å
935S63.3Low60.6Low70 Ų7083.7 Ų83.749%0.4945%0.452SS..Hα-helixtrans-76-38171.843.90000112.5H931 L932H931-S935 PolarHBondContact O-N 3.35Å; L932-S935 PolarHBondContact O-N 3.27Å; L932-S935 PolarHBondContact O-OG 2.88Å
936D56.3Low58.9Low93 Ų9386.5 Ų86.550%0.49746%0.464SS..G310 helixtrans-82.9-20.1-163.9-60.48.7000113N938D936-N938 VanDerWaalsContact C-N 3.26Å; D936-N938 PolarHBondContact O-N 3.32Å
937F56.6Low57.4Low60 Ų6089.7 Ų89.726%0.26348%0.479SS..G310 helixtrans-78.23.2-179.7-89.2-93.4000115.1C862 I933 W952C862-F937 HydrophobicContact CB-CE1 4.28Å; I933-F937 WeakPolarHBondContact O-CD2 3.48Å; F937-W952 AromaticContact CE2-CH2 3.67Å; F937-W952 HydrophobicContact CE2-CH2 3.67Å; F937-W952 AromaticContact CE2-CZ2 3.75Å; F937-W952 HydrophobicContact CE2-CZ2 3.75Å; F937-W952 AromaticContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CZ2 4.18Å; F937-W952 HydrophobicContact CZ-CZ3 4.14Å
938N52.5Low56.2Low138 Ų13892.1 Ų92.174%0.73849%0.491SS*.G310 helixtrans-114.314.6-167.3-90.910.8000115D936D936-N938 VanDerWaalsContact C-N 3.26Å; D936-N938 PolarHBondContact O-N 3.32Å
939A48.9Very low54.8Low97 Ų9789.5 Ų89.580%0.80247%0.473SS*.  trans-90.4141.9173.400000111.6
940E42Very low54Low177 Ų17791.7 Ų91.783%0.82749%0.489SS*.  trans-112.5124.5-154.6-163.5163.1-141.100114
941H38.7Very low53.4Low137 Ų13791.5 Ų91.563%0.63449%0.492SS*.  trans38.3105.6161.5-72.2-70.3000121.1
942N42.3Very low52.9Low142 Ų14287.3 Ų87.376%0.75947%0.47SS*.  -163.5137.8122.2-118.4-20.3000116.9N944N942-N944 PolarHBondContact O-N 2.94Å
943V42.3Very low52.3Low127 Ų12784.7 Ų84.777%0.7746%0.457SS*.SBendtrans50.9-52.3159.2-174.80000121.4
944N51.6Low52.1Low84 Ų8490 Ų9045%0.44949%0.485SS..  trans-11049.7-166.3-123.45.2000114.8N942 L946 L948N942-N944 PolarHBondContact O-N 2.94Å; N944-L946 PolarHBondContact O-N 2.87Å; N944-L948 WeakPolarHBondContact O-CG 3.36Å; N944-L948 PolarHBondContact O-N 3.35Å
945S42.6Very low52Low23 Ų2388.5 Ų88.516%0.16148%0.482CS..Hα-helixtrans-70-29.7-165.454.10000116Q855 H858 F949Q855-S945 PolarHBondContact OE1-OG 3.05Å; H858-S945 PolarHBondContact CE1-O 3.09Å; H858-S945 VanDerWaalsContact CE1-O 3.23Å; H858-S945 PolarHBondContact ND1-O 3.26Å; S945-F949 WeakPolarHBondContact O-CB 3.37Å; S945-F949 PolarHBondContact O-N 3.44Å
946L46.4Very low52.1Low89 Ų8992.8 Ų92.847%0.46649%0.494SS..Hα-helixtrans-75-41.7179.8-149.790.8000112.1N944 F949 C950N944-L946 PolarHBondContact O-N 2.87Å; L946-F949 WeakPolarHBondContact O-CB 3.46Å; L946-F949 PolarHBondContact O-N 3.45Å; L946-C950 PolarHBondContact O-N 2.85Å; L946-C950 PolarHBondContact O-SG 2.98Å
947E52.5Low52.4Low69 Ų6991 Ų9132%0.32249%0.489SS..Hα-helixtrans-72.9-37.7179.3-174.3164.4-142.100111.6K554 F949 C950 N951K554-E947 WeakPolarHBondContact CE-OE2 3.44Å; K554-E947 IonicContact NZ-OE1 2.79Å; K554-E947 PolarHBondContact NZ-OE1 3.33Å; K554-E947 IonicContact NZ-OE2 2.62Å; K554-E947 PolarHBondContact NZ-OE2 2.85Å; E947-F949 VanDerWaalsContact C-N 3.27Å; E947-F949 PolarHBondContact O-N 2.97Å; E947-C950 PolarHBondContact O-N 2.89Å; E947-N951 VanDerWaalsContact O-CB 3.31Å; E947-N951 WeakPolarHBondContact O-CB 3.42Å; E947-N951 VanDerWaalsContact O-CG 3.26Å; E947-N951 PolarHBondContact O-N 2.62Å; E947-N951 PolarHBondContact O-ND2 3.23Å
948L54Low52.8Low110 Ų11090.7 Ų90.758%0.57649%0.486SS*.Hα-helixtrans-61.2-34169.3-76.4168.2000112.5N944 W952N944-L948 WeakPolarHBondContact O-CG 3.36Å; N944-L948 PolarHBondContact O-N 3.35Å; L948-W952 WeakPolarHBondContact O-CB 3.49Å; L948-W952 PolarHBondContact O-N 2.74Å
949F48.8Very low53.5Low31 Ų3187.4 Ų87.414%0.13647%0.471CS..Hα-helixtrans-69.6-43.5173.6-179.2-105.8000112.2I861 S945 L946 E947 W952 L953I861-F949 HydrophobicContact CG2-CE1 3.88Å; I861-F949 HydrophobicContact CG2-CE2 4.18Å; I861-F949 HydrophobicContact CG2-CZ 3.54Å; S945-F949 WeakPolarHBondContact O-CB 3.37Å; S945-F949 PolarHBondContact O-N 3.44Å; L946-F949 WeakPolarHBondContact O-CB 3.46Å; L946-F949 PolarHBondContact O-N 3.45Å; E947-F949 VanDerWaalsContact C-N 3.27Å; E947-F949 PolarHBondContact O-N 2.97Å; F949-W952 HydrophobicContact CE2-CE3 4.4Å; F949-W952 PolarHBondContact O-N 3.47Å; F949-L953 HydrophobicContact CD1-CD1 4.03Å; F949-L953 HydrophobicContact CE1-CD1 3.56Å; F949-L953 HydrophobicContact CE1-CG 4.3Å; F949-L953 HydrophobicContact CZ-CD1 3.92Å; F949-L953 HydrophobicContact CZ-CD2 4.48Å; F949-L953 HydrophobicContact CZ-CG 4.29Å; F949-L953 WeakPolarHBondContact O-CG 3.44Å; F949-L953 PolarHBondContact O-N 2.94Å
950C56.3Low54.6Low59 Ų5985.8 Ų85.840%0.39945%0.451SS..Hα-helixtrans-61.5-42.7172.5-69.40000112.1L946 E947 W952 L953 N954L946-C950 PolarHBondContact O-N 2.85Å; L946-C950 PolarHBondContact O-SG 2.98Å; E947-C950 PolarHBondContact O-N 2.89Å; C950-W952 VanDerWaalsContact C-N 3.33Å; C950-W952 PolarHBondContact O-N 2.69Å; C950-L953 PolarHBondContact O-N 2.89Å; C950-N954 WeakPolarHBondContact O-CB 3.39Å; C950-N954 VanDerWaalsContact O-CG 3.25Å; C950-N954 PolarHBondContact O-N 2.67Å; C950-N954 PolarHBondContact O-ND2 2.77Å
951N59.5Low55.7Low88 Ų8879.2 Ų79.247%0.47143%0.425SS..Hα-helixtrans-69.3-30.2177.4-71-16000112.2E947 N954 S955E947-N951 VanDerWaalsContact O-CB 3.31Å; E947-N951 WeakPolarHBondContact O-CB 3.42Å; E947-N951 VanDerWaalsContact O-CG 3.26Å; E947-N951 PolarHBondContact O-N 2.62Å; E947-N951 PolarHBondContact O-ND2 3.23Å; N951-N954 CarbonylContact O-C 3.58Å; N951-S955 WeakPolarHBondContact O-CA 3.36Å; N951-S955 VanDerWaalsContact O-CB 3.31Å; N951-S955 WeakPolarHBondContact O-CB 3.45Å; N951-S955 PolarHBondContact O-N 2.66Å
952W61.6Low57.1Low61 Ų6174.3 Ų74.323%0.23141%0.405CS..Hα-helixtrans-68.2-45.9168.7-177.576.9000111.7F937 L948 F949 C950 N954 S955 Y958F937-W952 AromaticContact CE2-CH2 3.67Å; F937-W952 HydrophobicContact CE2-CH2 3.67Å; F937-W952 AromaticContact CE2-CZ2 3.75Å; F937-W952 HydrophobicContact CE2-CZ2 3.75Å; F937-W952 AromaticContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CH2 3.71Å; F937-W952 HydrophobicContact CZ-CZ2 4.18Å; F937-W952 HydrophobicContact CZ-CZ3 4.14Å; L948-W952 WeakPolarHBondContact O-CB 3.49Å; L948-W952 PolarHBondContact O-N 2.74Å; F949-W952 HydrophobicContact CE2-CE3 4.4Å; F949-W952 PolarHBondContact O-N 3.47Å; C950-W952 VanDerWaalsContact C-N 3.33Å; C950-W952 PolarHBondContact O-N 2.69Å; W952-N954 PolarHBondContact O-N 3.26Å; W952-S955 VanDerWaalsContact O-CB 3.26Å; W952-S955 WeakPolarHBondContact O-CB 3.5Å; W952-S955 PolarHBondContact O-N 2.69Å; W952-S955 PolarHBondContact O-OG 2.79Å; W952-Y958 HydrophobicContact CD2-CD2 4.34Å; W952-Y958 AromaticContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CE2 4.47Å; W952-Y958 AromaticContact CH2-CD2 3.54Å; W952-Y958 HydrophobicContact CH2-CD2 3.54Å; W952-Y958 AromaticContact CH2-CE2 3.9Å; W952-Y958 HydrophobicContact CH2-CE2 3.9Å; W952-Y958 AromaticContact CZ2-CD2 3.93Å; W952-Y958 HydrophobicContact CZ2-CD2 3.93Å; W952-Y958 AromaticContact CZ3-CD2 3.55Å; W952-Y958 HydrophobicContact CZ3-CD2 3.55Å; W952-Y958 AromaticContact CZ3-CE2 3.77Å; W952-Y958 HydrophobicContact CZ3-CE2 3.77Å; W952-Y958 WeakPolarHBondContact O-CB 3.38Å
953L53.5Low58.7Low51 Ų5171.4 Ų71.427%0.26739%0.39SS..Hα-helixtrans-60.8-32.5174.2-70.7175.3000113F949 C950 Y958F949-L953 HydrophobicContact CD1-CD1 4.03Å; F949-L953 HydrophobicContact CE1-CD1 3.56Å; F949-L953 HydrophobicContact CE1-CG 4.3Å; F949-L953 HydrophobicContact CZ-CD1 3.92Å; F949-L953 HydrophobicContact CZ-CD2 4.48Å; F949-L953 HydrophobicContact CZ-CG 4.29Å; F949-L953 WeakPolarHBondContact O-CG 3.44Å; F949-L953 PolarHBondContact O-N 2.94Å; C950-L953 PolarHBondContact O-N 2.89Å; L953-Y958 HydrophobicContact CD2-CD2 4.16Å; L953-Y958 HydrophobicContact CD2-CE1 4.11Å; L953-Y958 HydrophobicContact CD2-CE2 3.68Å; L953-Y958 WeakPolarHBondContact O-CD1 3.09Å
954N61Low60.3Low126 Ų12669.9 Ų69.967%0.67437%0.374SS*.THydrogen-bonded Turntrans-85.1-5174.5-67-25.3000113.6C950 N951 W952C950-N954 WeakPolarHBondContact O-CB 3.39Å; C950-N954 VanDerWaalsContact O-CG 3.25Å; C950-N954 PolarHBondContact O-N 2.67Å; C950-N954 PolarHBondContact O-ND2 2.77Å; N951-N954 CarbonylContact O-C 3.58Å; W952-N954 PolarHBondContact O-N 3.26Å
955S61.9Low61.4Low27 Ų2766.5 Ų66.519%0.18936%0.356CS..SBendtrans-75.4150.2-172.671.20000112.8N951 W952 S957 Y958 T959N951-S955 WeakPolarHBondContact O-CA 3.36Å; N951-S955 VanDerWaalsContact O-CB 3.31Å; N951-S955 WeakPolarHBondContact O-CB 3.45Å; N951-S955 PolarHBondContact O-N 2.66Å; W952-S955 VanDerWaalsContact O-CB 3.26Å; W952-S955 WeakPolarHBondContact O-CB 3.5Å; W952-S955 PolarHBondContact O-N 2.69Å; W952-S955 PolarHBondContact O-OG 2.79Å; S955-S957 PolarHBondContact O-N 3.31Å; S955-S957 PolarHBondContact OG-OG 3.43Å; S955-S957 VanDerWaalsContact OG-OG 3.07Å; S955-Y958 PolarHBondContact O-N 3.48Å; S955-Y958 VanDerWaalsContact O-N 3.16Å; S955-Y958 PolarHBondContact OG-N 3.5Å; S955-Y958 VanDerWaalsContact OG-N 3.1Å; S955-T959 PolarHBondContact O-N 2.76Å; S955-T959 PolarHBondContact O-OG1 3.04Å
956E64.8Low63.2Low160 Ų16071.3 Ų71.375%0.74837%0.374SS*.Hα-helixtrans-61.5-25.1172.8-166176.4-166.500112.4T959 T960E956-T959 WeakPolarHBondContact CA-OG1 3.26Å; E956-T959 PolarHBondContact O-OG1 2.65Å; E956-T960 WeakPolarHBondContact O-CB 3.35Å; E956-T960 PolarHBondContact O-N 2.86Å; E956-T960 PolarHBondContact O-OG1 2.68Å
957S62.1Low64.8Low55 Ų5571.8 Ų71.839%0.38537%0.372SS..Hα-helixtrans-74.4-37.3174.964.10000112.6S955 S961S955-S957 PolarHBondContact O-N 3.31Å; S955-S957 PolarHBondContact OG-OG 3.43Å; S955-S957 VanDerWaalsContact OG-OG 3.07Å; S957-S961 WeakPolarHBondContact O-CB 3.26Å; S957-S961 PolarHBondContact O-N 2.95Å; S957-S961 PolarHBondContact O-OG 2.85Å
958Y64.6Low66.2Low53 Ų5368.5 Ų68.521%0.20836%0.357CS..Hα-helixtrans-69.4-45.5172.4178.3-93.6000111.8Y869 W952 L953 S955 S961 T962Y869-Y958 VanDerWaalsContact OH-CE2 3.25Å; Y869-Y958 WeakPolarHBondContact OH-CE2 3.18Å; W952-Y958 HydrophobicContact CD2-CD2 4.34Å; W952-Y958 AromaticContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CD2 3.96Å; W952-Y958 HydrophobicContact CE3-CE2 4.47Å; W952-Y958 AromaticContact CH2-CD2 3.54Å; W952-Y958 HydrophobicContact CH2-CD2 3.54Å; W952-Y958 AromaticContact CH2-CE2 3.9Å; W952-Y958 HydrophobicContact CH2-CE2 3.9Å; W952-Y958 AromaticContact CZ2-CD2 3.93Å; W952-Y958 HydrophobicContact CZ2-CD2 3.93Å; W952-Y958 AromaticContact CZ3-CD2 3.55Å; W952-Y958 HydrophobicContact CZ3-CD2 3.55Å; W952-Y958 AromaticContact CZ3-CE2 3.77Å; W952-Y958 HydrophobicContact CZ3-CE2 3.77Å; W952-Y958 WeakPolarHBondContact O-CB 3.38Å; L953-Y958 HydrophobicContact CD2-CD2 4.16Å; L953-Y958 HydrophobicContact CD2-CE1 4.11Å; L953-Y958 HydrophobicContact CD2-CE2 3.68Å; L953-Y958 WeakPolarHBondContact O-CD1 3.09Å; S955-Y958 PolarHBondContact O-N 3.48Å; S955-Y958 VanDerWaalsContact O-N 3.16Å; S955-Y958 PolarHBondContact OG-N 3.5Å; S955-Y958 VanDerWaalsContact OG-N 3.1Å; Y958-S961 PolarHBondContact O-N 2.77Å; Y958-T962 VanDerWaalsContact O-CB 3.28Å; Y958-T962 WeakPolarHBondContact O-CB 3.47Å; Y958-T962 PolarHBondContact O-N 2.81Å; Y958-T962 PolarHBondContact O-OG1 2.8Å
959T69Low67.5Low69 Ų6965.4 Ų65.442%0.42334%0.341SS..Hα-helixtrans-63-48.2176.662.10000110.1S955 E956 S961 T962 D963S955-T959 PolarHBondContact O-N 2.76Å; S955-T959 PolarHBondContact O-OG1 3.04Å; E956-T959 WeakPolarHBondContact CA-OG1 3.26Å; E956-T959 PolarHBondContact O-OG1 2.65Å; T959-S961 PolarHBondContact O-N 2.93Å; T959-T962 CarbonylContact O-C 3.56Å; T959-T962 PolarHBondContact O-N 3.34Å; T959-D963 VanDerWaalsContact O-CB 3.3Å; T959-D963 WeakPolarHBondContact O-CB 3.19Å; T959-D963 PolarHBondContact O-N 2.96Å
960T70.3Confident69.1Low63 Ų6368.5 Ų68.539%0.38736%0.358SS..Hα-helixtrans-57.7-43.8175.4-64.80000112.6E956 D963 H964E956-T960 WeakPolarHBondContact O-CB 3.35Å; E956-T960 PolarHBondContact O-N 2.86Å; E956-T960 PolarHBondContact O-OG1 2.68Å; T960-D963 PolarHBondContact O-N 3.41Å; T960-H964 WeakPolarHBondContact O-CB 3.22Å; T960-H964 PolarHBondContact O-CD2 2.86Å; T960-H964 PolarHBondContact O-N 3.39Å
961S66.2Low70.4Confident39 Ų3970.4 Ų70.427%0.27336%0.36SS..Hα-helixtrans-64-42.2177.5-63.70000111.8S957 Y958 T959 H964 L965S957-S961 WeakPolarHBondContact O-CB 3.26Å; S957-S961 PolarHBondContact O-N 2.95Å; S957-S961 PolarHBondContact O-OG 2.85Å; Y958-S961 PolarHBondContact O-N 2.77Å; T959-S961 PolarHBondContact O-N 2.93Å; S961-H964 PolarHBondContact O-N 3.26Å; S961-L965 WeakPolarHBondContact O-CB 3.49Å; S961-L965 PolarHBondContact O-N 2.89Å
962T68.5Low71.6Confident34 Ų3466.4 Ų66.421%0.20934%0.339CS..Hα-helixtrans-68.4-38.4177.3-56.70000111.3Y958 T959 L965 F966Y958-T962 VanDerWaalsContact O-CB 3.28Å; Y958-T962 WeakPolarHBondContact O-CB 3.47Å; Y958-T962 PolarHBondContact O-N 2.81Å; Y958-T962 PolarHBondContact O-OG1 2.8Å; T959-T962 CarbonylContact O-C 3.56Å; T959-T962 PolarHBondContact O-N 3.34Å; T962-L965 WeakPolarHBondContact O-CB 3.09Å; T962-L965 PolarHBondContact O-N 3.18Å; T962-F966 HydrophobicContact CG2-CD2 3.99Å; T962-F966 HydrophobicContact CG2-CE2 4.09Å; T962-F966 WeakPolarHBondContact O-CD2 3.35Å; T962-F966 PolarHBondContact O-N 2.99Å
963D75.3Confident72.5Confident82 Ų8267.1 Ų67.144%0.43935%0.347SS..Hα-helixtrans-64.9-41.2174.5-122.740.5000111.7T959 T960 L965 F966 K967T959-D963 VanDerWaalsContact O-CB 3.3Å; T959-D963 WeakPolarHBondContact O-CB 3.19Å; T959-D963 PolarHBondContact O-N 2.96Å; T960-D963 PolarHBondContact O-N 3.41Å; D963-L965 VanDerWaalsContact C-N 3.35Å; D963-F966 PolarHBondContact O-N 3.03Å; D963-K967 WeakPolarHBondContact O-CB 3.37Å; D963-K967 VanDerWaalsContact O-CD 3.27Å; D963-K967 WeakPolarHBondContact O-CD 3.24Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.31Å; D963-K967 VanDerWaalsContact OD2-CE 3.31Å; D963-K967 WeakPolarHBondContact OD2-CE 2.98Å; D963-K967 IonicContact OD2-NZ 2.71Å; D963-K967 PolarHBondContact OD2-NZ 3.21Å
964H75.5Confident73.9Confident95 Ų9569.4 Ų69.444%0.4436%0.358SS..Hα-helixtrans-64.3-40.2172-93.1-95.5000111.3M929 T960 S961 K967 D968M929-H964 HydrophobicContact CE-CB 3.95Å; T960-H964 WeakPolarHBondContact O-CB 3.22Å; T960-H964 PolarHBondContact O-CD2 2.86Å; T960-H964 PolarHBondContact O-N 3.39Å; S961-H964 PolarHBondContact O-N 3.26Å; H964-K967 PolarHBondContact O-N 3.05Å; H964-D968 WeakPolarHBondContact O-CB 3.37Å; H964-D968 PolarHBondContact O-N 3.42Å
965L75.5Confident75Confident13 Ų1363.8 Ų63.87%0.06833%0.328CS..Hα-helixtrans-64.8-42.3175.9-152.8158.5000111.4Y869 L872 M929 S961 T962 D963 D968 L969Y869-L965 HydrophobicContact CD1-CD1 4.09Å; Y869-L965 HydrophobicContact CE1-CD1 4.01Å; L872-L965 HydrophobicContact CD2-CD1 4.31Å; L872-L965 HydrophobicContact CD2-CD2 3.8Å; M929-L965 HydrophobicContact CE-CB 4.1Å; M929-L965 HydrophobicContact CE-CG 4.43Å; M929-L965 HydrophobicContact SD-CB 3.81Å; M929-L965 HydrophobicContact SD-CD1 3.84Å; M929-L965 HydrophobicContact SD-CG 3.62Å; S961-L965 WeakPolarHBondContact O-CB 3.49Å; S961-L965 PolarHBondContact O-N 2.89Å; T962-L965 WeakPolarHBondContact O-CB 3.09Å; T962-L965 PolarHBondContact O-N 3.18Å; D963-L965 VanDerWaalsContact C-N 3.35Å; L965-D968 PolarHBondContact O-N 2.88Å; L965-L969 HydrophobicContact CD2-CD1 3.57Å; L965-L969 HydrophobicContact CD2-CG 4Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CG 3.39Å; L965-L969 PolarHBondContact O-N 2.93Å
966F78.9Confident76Confident124 Ų12463.6 Ų63.654%0.54433%0.325SS..Hα-helixtrans-65.4-39.4170.9-92.1-72.9000112.9T962 D963 D968 L969 N970T962-F966 HydrophobicContact CG2-CD2 3.99Å; T962-F966 HydrophobicContact CG2-CE2 4.09Å; T962-F966 WeakPolarHBondContact O-CD2 3.35Å; T962-F966 PolarHBondContact O-N 2.99Å; D963-F966 PolarHBondContact O-N 3.03Å; F966-D968 VanDerWaalsContact C-N 3.32Å; F966-D968 PolarHBondContact O-N 3.37Å; F966-L969 PolarHBondContact O-N 3.13Å; F966-N970 WeakPolarHBondContact O-CB 3.15Å; F966-N970 PolarHBondContact O-N 3.36Å; F966-N970 PolarHBondContact O-ND2 3.48Å
967K81.7Confident76.9Confident98 Ų9860.9 Ų60.943%0.42632%0.315SS..Hα-helixtrans-63.3-39.4175.3-74.7157.8-165.5158.90111D963 H964 K971D963-K967 WeakPolarHBondContact O-CB 3.37Å; D963-K967 VanDerWaalsContact O-CD 3.27Å; D963-K967 WeakPolarHBondContact O-CD 3.24Å; D963-K967 WeakPolarHBondContact O-CG 3.38Å; D963-K967 PolarHBondContact O-N 3.31Å; D963-K967 VanDerWaalsContact OD2-CE 3.31Å; D963-K967 WeakPolarHBondContact OD2-CE 2.98Å; D963-K967 IonicContact OD2-NZ 2.71Å; D963-K967 PolarHBondContact OD2-NZ 3.21Å; H964-K967 PolarHBondContact O-N 3.05Å; K967-K971 VanDerWaalsContact O-CG 3.3Å; K967-K971 WeakPolarHBondContact O-CG 3.32Å; K967-K971 PolarHBondContact O-N 2.9Å
968D80.8Confident77.9Confident0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-77.5-32.3178.6-73.3-11.3000113.2L922 S925 F926 M929 H964 L965 F966 K971 L972L922-D968 HydrophobicContact CD1-CB 3.78Å; S925-D968 VanDerWaalsContact CB-OD2 3.24Å; S925-D968 WeakPolarHBondContact CB-OD2 3.31Å; S925-D968 PolarHBondContact OG-OD1 3.05Å; S925-D968 PolarHBondContact OG-OD2 2.95Å; F926-D968 HydrophobicContact CE1-CB 4.09Å; F926-D968 HydrophobicContact CE2-CB 4.29Å; F926-D968 HydrophobicContact CZ-CB 3.84Å; M929-D968 HydrophobicContact CE-CB 4.38Å; M929-D968 WeakPolarHBondContact CE-OD2 3.37Å; H964-D968 WeakPolarHBondContact O-CB 3.37Å; H964-D968 PolarHBondContact O-N 3.42Å; L965-D968 PolarHBondContact O-N 2.88Å; F966-D968 VanDerWaalsContact C-N 3.32Å; F966-D968 PolarHBondContact O-N 3.37Å; D968-K971 PolarHBondContact O-N 3.29Å; D968-K971 WeakPolarHBondContact OD1-CD 3.3Å; D968-K971 WeakPolarHBondContact OD1-CE 3.31Å; D968-K971 IonicContact OD1-NZ 3.74Å; D968-K971 PolarHBondContact OD1-NZ 2.89Å; D968-L972 WeakPolarHBondContact O-CB 3.47Å; D968-L972 PolarHBondContact O-N 2.78Å
969L81.1Confident78.6Confident46 Ų4659.5 Ų59.524%0.24130%0.303CS..Hα-helixtrans-64.4-44166.8-75.8172.3000111.8L965 F966 K971 L972 D973L965-L969 HydrophobicContact CD2-CD1 3.57Å; L965-L969 HydrophobicContact CD2-CG 4Å; L965-L969 WeakPolarHBondContact O-CB 3.47Å; L965-L969 WeakPolarHBondContact O-CG 3.39Å; L965-L969 PolarHBondContact O-N 2.93Å; F966-L969 PolarHBondContact O-N 3.13Å; L969-K971 VanDerWaalsContact C-N 3.34Å; L969-K971 PolarHBondContact O-N 2.91Å; L969-L972 WeakPolarHBondContact O-CA 3.38Å; L969-L972 WeakPolarHBondContact O-CB 3.18Å; L969-L972 PolarHBondContact O-N 3.49Å; L969-D973 PolarHBondContact O-N 3.26Å
970N82.1Confident79.1Confident95 Ų9561.3 Ų61.351%0.50831%0.307SS..Hα-helixtrans-62.3-40.1174.8-79.9-60.8000111.7F966 L972 D973 I974F966-N970 WeakPolarHBondContact O-CB 3.15Å; F966-N970 PolarHBondContact O-N 3.36Å; F966-N970 PolarHBondContact O-ND2 3.48Å; N970-L972 VanDerWaalsContact C-N 3.33Å; N970-L972 PolarHBondContact O-N 3.42Å; N970-D973 PolarHBondContact O-N 3.29Å; N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.44Å; N970-I974 WeakPolarHBondContact O-CG1 3.35Å; N970-I974 PolarHBondContact O-N 3.48Å
971K83.9Confident79.5Confident100 Ų10061.4 Ų61.444%0.43531%0.307SS..Hα-helixtrans-60-41.6170.2-71.4169.2-162164.60111.7L922 K967 D968 L969 I974 L975L922-K971 HydrophobicContact CD1-CB 3.86Å; L922-K971 HydrophobicContact CD1-CD 3.89Å; L922-K971 HydrophobicContact CD2-CB 4.14Å; K967-K971 VanDerWaalsContact O-CG 3.3Å; K967-K971 WeakPolarHBondContact O-CG 3.32Å; K967-K971 PolarHBondContact O-N 2.9Å; D968-K971 PolarHBondContact O-N 3.29Å; D968-K971 WeakPolarHBondContact OD1-CD 3.3Å; D968-K971 WeakPolarHBondContact OD1-CE 3.31Å; D968-K971 IonicContact OD1-NZ 3.74Å; D968-K971 PolarHBondContact OD1-NZ 2.89Å; L969-K971 VanDerWaalsContact C-N 3.34Å; L969-K971 PolarHBondContact O-N 2.91Å; K971-I974 PolarHBondContact O-N 3.31Å; K971-L975 WeakPolarHBondContact O-CB 3.33Å; K971-L975 PolarHBondContact O-N 3.31Å
972L84.4Confident80Confident4 Ų460.3 Ų60.32%0.02130%0.298CS..Hα-helixtrans-62.6-42.2179.8-173.653.6000112.2C876 K879 I880 I883 L922 D968 L969 N970 L975 D976C876-L972 HydrophobicContact CB-CD2 4.13Å; K879-L972 HydrophobicContact CB-CD2 4.29Å; K879-L972 HydrophobicContact CD-CD1 4.36Å; K879-L972 HydrophobicContact CD-CD2 4.01Å; K879-L972 HydrophobicContact CD-CG 4Å; K879-L972 HydrophobicContact CG-CD1 4.23Å; K879-L972 HydrophobicContact CG-CD2 4.39Å; K879-L972 HydrophobicContact CG-CG 4.39Å; I880-L972 HydrophobicContact CD1-CD1 4.39Å; I880-L972 HydrophobicContact CG1-CD1 3.53Å; I883-L972 HydrophobicContact CD1-CD1 4.2Å; L922-L972 HydrophobicContact CD2-CB 3.81Å; L922-L972 HydrophobicContact CD2-CD1 3.97Å; L922-L972 HydrophobicContact CD2-CG 4.47Å; D968-L972 WeakPolarHBondContact O-CB 3.47Å; D968-L972 PolarHBondContact O-N 2.78Å; L969-L972 WeakPolarHBondContact O-CA 3.38Å; L969-L972 WeakPolarHBondContact O-CB 3.18Å; L969-L972 PolarHBondContact O-N 3.49Å; N970-L972 VanDerWaalsContact C-N 3.33Å; N970-L972 PolarHBondContact O-N 3.42Å; L972-L975 WeakPolarHBondContact O-CB 3.23Å; L972-L975 PolarHBondContact O-N 2.68Å; L972-D976 WeakPolarHBondContact O-CB 3.5Å; L972-D976 PolarHBondContact O-N 3.43Å
973D82Confident80.2Confident76 Ų7662.8 Ų62.841%0.40631%0.307SS..Hα-helixtrans-77.5-30.7178.4-73.3-15.9000112.4K879 L969 N970 L975 D976 I977K879-D973 IonicContact NZ-OD1 2.97Å; K879-D973 PolarHBondContact NZ-OD1 2.78Å; L969-D973 PolarHBondContact O-N 3.26Å; N970-D973 PolarHBondContact O-N 3.29Å; D973-L975 VanDerWaalsContact C-N 3.34Å; D973-D976 PolarHBondContact O-N 2.94Å; D973-I977 WeakPolarHBondContact O-CB 3.27Å; D973-I977 WeakPolarHBondContact O-CD1 3.29Å; D973-I977 WeakPolarHBondContact O-CG1 3.38Å; D973-I977 PolarHBondContact O-N 3.18Å
974I83.1Confident80.3Confident98 Ų9865.3 Ų65.350%0.50331%0.314SS..Hα-helixtrans-63.7-39.8167.2-69.8164.7000111N970 K971 R978N970-I974 WeakPolarHBondContact O-CB 3.45Å; N970-I974 WeakPolarHBondContact O-CD1 3.44Å; N970-I974 WeakPolarHBondContact O-CG1 3.35Å; N970-I974 PolarHBondContact O-N 3.48Å; K971-I974 PolarHBondContact O-N 3.31Å; I974-R978 WeakPolarHBondContact O-CB 3.43Å; I974-R978 WeakPolarHBondContact O-CG 3.3Å; I974-R978 PolarHBondContact O-N 2.7Å
975L84Confident80Confident9 Ų965.9 Ų65.95%0.04732%0.317CS..Hα-helixtrans-63.4-44.2174.3-98.7156.3000112.2I915 D918 A919 L922 K971 L972 D973 R978 S979I915-L975 HydrophobicContact CG2-CD2 3.79Å; D918-L975 HydrophobicContact CB-CD1 4.37Å; D918-L975 HydrophobicContact CB-CD2 3.91Å; D918-L975 HydrophobicContact CB-CG 4.38Å; A919-L975 HydrophobicContact CB-CD2 4.13Å; L922-L975 HydrophobicContact CB-CD1 4.18Å; L922-L975 HydrophobicContact CD2-CD1 3.59Å; K971-L975 WeakPolarHBondContact O-CB 3.33Å; K971-L975 PolarHBondContact O-N 3.31Å; L972-L975 WeakPolarHBondContact O-CB 3.23Å; L972-L975 PolarHBondContact O-N 2.68Å; D973-L975 VanDerWaalsContact C-N 3.34Å; L975-R978 PolarHBondContact O-N 2.91Å; L975-S979 WeakPolarHBondContact O-CB 3.41Å; L975-S979 PolarHBondContact O-N 3.05Å
976D81.7Confident79.6Confident22 Ų2267 Ų6712%0.11833%0.325CS..Hα-helixtrans-62.3-48.5175-168.414000111K879 I883 L972 D973 R978 S979 Q980K879-D976 WeakPolarHBondContact CE-OD2 3.49Å; K879-D976 IonicContact NZ-OD2 2.67Å; K879-D976 PolarHBondContact NZ-OD2 3.39Å; I883-D976 HydrophobicContact CD1-CB 4.15Å; L972-D976 WeakPolarHBondContact O-CB 3.5Å; L972-D976 PolarHBondContact O-N 3.43Å; D973-D976 PolarHBondContact O-N 2.94Å; D976-R978 PolarHBondContact O-N 3.35Å; D976-S979 PolarHBondContact O-N 3.39Å; D976-Q980 WeakPolarHBondContact O-CB 3.27Å; D976-Q980 VanDerWaalsContact O-CG 3.26Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 3.5Å; D976-Q980 PolarHBondContact OD1-NE2 2.79Å; D976-Q980 PolarHBondContact OD2-NE2 2.97Å
977I83.4Confident79Confident103 Ų10364.5 Ų64.553%0.52832%0.317SS..Hα-helixtrans-60.6-41175.7-70.1164.6000111.7D973 T981D973-I977 WeakPolarHBondContact O-CB 3.27Å; D973-I977 WeakPolarHBondContact O-CD1 3.29Å; D973-I977 WeakPolarHBondContact O-CG1 3.38Å; D973-I977 PolarHBondContact O-N 3.18Å; I977-T981 VanDerWaalsContact O-CB 3.22Å; I977-T981 WeakPolarHBondContact O-CB 3.46Å; I977-T981 PolarHBondContact O-N 2.65Å; I977-T981 PolarHBondContact O-OG1 2.83Å
978R84.6Confident78.3Confident65 Ų6563.3 Ų63.325%0.24532%0.316CS..Hα-helixtrans-66.9-43.5175.6-81.9177.266.7-1533.7112E911 I915 D918 I974 L975 D976 T981 L982E911-R978 IonicContact OE1-CZ 3.61Å; E911-R978 VanDerWaalsContact OE1-CZ 3.25Å; E911-R978 IonicContact OE1-NE 3.25Å; E911-R978 PolarHBondContact OE1-NE 3.01Å; E911-R978 IonicContact OE1-NH2 2.69Å; E911-R978 PolarHBondContact OE1-NH2 3.2Å; E911-R978 IonicContact OE2-NH2 3.66Å; I915-R978 HydrophobicContact CD1-CB 3.9Å; I915-R978 HydrophobicContact CG1-CB 4.27Å; D918-R978 IonicContact OD2-CZ 2.78Å; D918-R978 IonicContact OD2-NH1 2.7Å; D918-R978 PolarHBondContact OD2-NH1 2.94Å; D918-R978 IonicContact OD2-NH2 3.15Å; I974-R978 WeakPolarHBondContact O-CB 3.43Å; I974-R978 WeakPolarHBondContact O-CG 3.3Å; I974-R978 PolarHBondContact O-N 2.7Å; L975-R978 PolarHBondContact O-N 2.91Å; D976-R978 PolarHBondContact O-N 3.35Å; R978-T981 PolarHBondContact O-N 2.8Å; R978-L982 WeakPolarHBondContact O-CB 3.48Å; R978-L982 PolarHBondContact O-N 2.8Å
979S78.7Confident77.5Confident15 Ų1567.6 Ų67.611%0.10534%0.335CS..Hα-helixtrans-59.4-49.3174.7-176.40000111.6L975 D976 T981 L982 H983L975-S979 WeakPolarHBondContact O-CB 3.41Å; L975-S979 PolarHBondContact O-N 3.05Å; D976-S979 PolarHBondContact O-N 3.39Å; S979-T981 VanDerWaalsContact C-N 3.3Å; S979-T981 PolarHBondContact O-N 3.13Å; S979-L982 PolarHBondContact O-N 3.41Å; S979-H983 WeakPolarHBondContact O-CB 3.5Å; S979-H983 PolarHBondContact O-N 2.78Å
980Q78.6Confident76.3Confident107 Ų10772.9 Ų72.950%0.536%0.357SS..Hα-helixtrans-61.7-36.6175.2-69.1176.535.200112.3D976 K984D976-Q980 WeakPolarHBondContact O-CB 3.27Å; D976-Q980 VanDerWaalsContact O-CG 3.26Å; D976-Q980 WeakPolarHBondContact O-CG 3.42Å; D976-Q980 PolarHBondContact O-N 3.5Å; D976-Q980 PolarHBondContact OD1-NE2 2.79Å; D976-Q980 PolarHBondContact OD2-NE2 2.97Å; Q980-K984 WeakPolarHBondContact O-CB 3.19Å; Q980-K984 PolarHBondContact O-N 2.74Å
981T80.1Confident75.2Confident65 Ų6574.1 Ų74.140%0.39936%0.357SS..Hα-helixtrans-70.4-46.6177.8-60.20000111.3I977 R978 S979 H983 K984 E985I977-T981 VanDerWaalsContact O-CB 3.22Å; I977-T981 WeakPolarHBondContact O-CB 3.46Å; I977-T981 PolarHBondContact O-N 2.65Å; I977-T981 PolarHBondContact O-OG1 2.83Å; R978-T981 PolarHBondContact O-N 2.8Å; S979-T981 VanDerWaalsContact C-N 3.3Å; S979-T981 PolarHBondContact O-N 3.13Å; T981-H983 VanDerWaalsContact C-N 3.33Å; T981-H983 PolarHBondContact O-N 3.26Å; T981-K984 CarbonylContact O-C 3.55Å; T981-K984 WeakPolarHBondContact O-CA 3.33Å; T981-K984 WeakPolarHBondContact O-CB 3.37Å; T981-K984 PolarHBondContact O-N 3.48Å; T981-K984 VanDerWaalsContact O-N 3.12Å; T981-E985 HydrophobicContact CG2-CG 4.49Å; T981-E985 WeakPolarHBondContact O-CG 3.46Å; T981-E985 PolarHBondContact O-N 2.88Å
982L76.8Confident73.8Confident16 Ų1674 Ų748%0.08436%0.358CS..Hα-helixtrans-59.2-44175.3-177.367.4000111.4L908 E911 Y912 I915 R978 S979 K984 E985 C986L908-L982 HydrophobicContact CD2-CD1 3.61Å; E911-L982 HydrophobicContact CB-CD1 4.24Å; E911-L982 HydrophobicContact CG-CD1 4.08Å; Y912-L982 HydrophobicContact CD2-CD2 4.31Å; I915-L982 HydrophobicContact CD1-CB 4.3Å; I915-L982 HydrophobicContact CD1-CD2 4.02Å; R978-L982 WeakPolarHBondContact O-CB 3.48Å; R978-L982 PolarHBondContact O-N 2.8Å; S979-L982 PolarHBondContact O-N 3.41Å; L982-K984 VanDerWaalsContact C-N 3.34Å; L982-K984 PolarHBondContact O-N 2.63Å; L982-E985 PolarHBondContact O-N 2.68Å; L982-C986 PolarHBondContact O-N 2.74Å; L982-C986 PolarHBondContact O-SG 2.84Å
983H71.7Confident72.4Confident86 Ų8678 Ų7840%0.39839%0.387SS..Hα-helixtrans-63-40.5175.5-17193.5000111.8S890 S979 T981 C986 I987S890-H983 PolarHBondContact OG-ND1 2.84Å; S979-H983 WeakPolarHBondContact O-CB 3.5Å; S979-H983 PolarHBondContact O-N 2.78Å; T981-H983 VanDerWaalsContact C-N 3.33Å; T981-H983 PolarHBondContact O-N 3.26Å; H983-C986 PolarHBondContact O-N 3.41Å; H983-I987 WeakPolarHBondContact O-CG1 3.14Å; H983-I987 PolarHBondContact O-N 2.63Å; H983-I987 VanDerWaalsContact O-N 3.07Å
984K76.7Confident70.9Confident134 Ų13480 Ų8058%0.58340%0.397SS*.Hα-helixtrans-68.1-32.1174.5-173178.5-177-179.40112.6Q980 T981 L982 N988Q980-K984 WeakPolarHBondContact O-CB 3.19Å; Q980-K984 PolarHBondContact O-N 2.74Å; T981-K984 CarbonylContact O-C 3.55Å; T981-K984 WeakPolarHBondContact O-CA 3.33Å; T981-K984 WeakPolarHBondContact O-CB 3.37Å; T981-K984 PolarHBondContact O-N 3.48Å; T981-K984 VanDerWaalsContact O-N 3.12Å; L982-K984 VanDerWaalsContact C-N 3.34Å; L982-K984 PolarHBondContact O-N 2.63Å; K984-N988 VanDerWaalsContact O-CB 3.25Å; K984-N988 WeakPolarHBondContact O-CB 3.42Å; K984-N988 PolarHBondContact O-N 3.35Å; K984-N988 PolarHBondContact O-ND2 2.96Å
985E71.2Confident69.5Low107 Ų10779.4 Ų79.450%0.540%0.397SS..Hα-helixtrans-72.5-39.3172.9-74.6-163139.900112.3T981 L982 I987 N988 H989T981-E985 HydrophobicContact CG2-CG 4.49Å; T981-E985 WeakPolarHBondContact O-CG 3.46Å; T981-E985 PolarHBondContact O-N 2.88Å; L982-E985 PolarHBondContact O-N 2.68Å; E985-I987 VanDerWaalsContact C-N 3.33Å; E985-I987 PolarHBondContact O-N 3.33Å; E985-N988 CarbonylContact O-C 3.53Å; E985-N988 PolarHBondContact O-N 3.12Å; E985-N988 VanDerWaalsContact O-N 3.1Å; E985-H989 WeakPolarHBondContact O-CB 3.4Å; E985-H989 PolarHBondContact O-N 2.74Å
986C66Low67.7Low36 Ų3684.5 Ų84.524%0.24342%0.42CS..Hα-helixtrans-56.9-47.2170-650000111L982 H983 N988 F990L982-C986 PolarHBondContact O-N 2.74Å; L982-C986 PolarHBondContact O-SG 2.84Å; H983-C986 PolarHBondContact O-N 3.41Å; C986-N988 VanDerWaalsContact C-N 3.35Å; C986-N988 PolarHBondContact O-N 2.68Å; C986-F990 PolarHBondContact O-N 3.39Å
987I67Low66.1Low73 Ų7390 Ų9037%0.37445%0.45SS..Hα-helixtrans-63.4-38.2174.3-68.9168.4000111.9H983 E985 F990 K991H983-I987 WeakPolarHBondContact O-CG1 3.14Å; H983-I987 PolarHBondContact O-N 2.63Å; H983-I987 VanDerWaalsContact O-N 3.07Å; E985-I987 VanDerWaalsContact C-N 3.33Å; E985-I987 PolarHBondContact O-N 3.33Å; I987-F990 WeakPolarHBondContact O-CB 3.44Å; I987-K991 HydrophobicContact CG2-CD 4.28Å; I987-K991 WeakPolarHBondContact O-CG 3.42Å; I987-K991 PolarHBondContact O-N 2.81Å; I987-K991 VanDerWaalsContact O-N 3.1Å
988N66.7Low64.4Low73 Ų7392.9 Ų92.939%0.3946%0.461SS..Hα-helixtrans-74.3-35.7-179.7-78.3-20.1000112.6K984 E985 C986 F990 K991 H992K984-N988 VanDerWaalsContact O-CB 3.25Å; K984-N988 WeakPolarHBondContact O-CB 3.42Å; K984-N988 PolarHBondContact O-N 3.35Å; K984-N988 PolarHBondContact O-ND2 2.96Å; E985-N988 CarbonylContact O-C 3.53Å; E985-N988 PolarHBondContact O-N 3.12Å; E985-N988 VanDerWaalsContact O-N 3.1Å; C986-N988 VanDerWaalsContact C-N 3.35Å; C986-N988 PolarHBondContact O-N 2.68Å; N988-F990 VanDerWaalsContact C-N 3.3Å; N988-F990 PolarHBondContact O-N 3.43Å; N988-K991 CarbonylContact O-C 3.55Å; N988-K991 PolarHBondContact O-N 3.32Å; N988-K991 VanDerWaalsContact O-N 3.15Å; N988-H992 VanDerWaalsContact O-CB 3.27Å; N988-H992 WeakPolarHBondContact O-CB 3.47Å; N988-H992 PolarHBondContact O-N 3.25Å
989H63.3Low62.7Low90 Ų9098.1 Ų98.142%0.41748%0.481SS..Hα-helixtrans-61.8-43.9174.7-157-108.1000109.8E985 K991 H992 S993E985-H989 WeakPolarHBondContact O-CB 3.4Å; E985-H989 PolarHBondContact O-N 2.74Å; H989-K991 VanDerWaalsContact C-N 3.33Å; H989-K991 PolarHBondContact O-N 3.28Å; H989-H992 PolarHBondContact O-N 2.91Å; H989-S993 PolarHBondContact O-N 2.97Å
990F57.1Low61.4Low156 Ų156104.2 Ų104.268%0.68451%0.511SS*.Hα-helixtrans-57.5-40.5172.3-151.6-86.8000112.7C986 I987 N988C986-F990 PolarHBondContact O-N 3.39Å; I987-F990 WeakPolarHBondContact O-CB 3.44Å; N988-F990 VanDerWaalsContact C-N 3.3Å; N988-F990 PolarHBondContact O-N 3.43Å
991K57.3Low60.2Low121 Ų121106.3 Ų106.353%0.52653%0.526SS..Hα-helixtrans-76.2-38.5175.8-74.3174.7179.11730113.9I987 N988 H989 S993 I994 V995I987-K991 HydrophobicContact CG2-CD 4.28Å; I987-K991 WeakPolarHBondContact O-CG 3.42Å; I987-K991 PolarHBondContact O-N 2.81Å; I987-K991 VanDerWaalsContact O-N 3.1Å; N988-K991 CarbonylContact O-C 3.55Å; N988-K991 PolarHBondContact O-N 3.32Å; N988-K991 VanDerWaalsContact O-N 3.15Å; H989-K991 VanDerWaalsContact C-N 3.33Å; H989-K991 PolarHBondContact O-N 3.28Å; K991-S993 VanDerWaalsContact C-N 3.34Å; K991-S993 PolarHBondContact O-N 2.88Å; K991-I994 WeakPolarHBondContact O-CB 3.47Å; K991-I994 PolarHBondContact O-N 3.19Å; K991-I994 VanDerWaalsContact O-N 3.09Å; K991-V995 PolarHBondContact O-N 3.45Å
992H54.7Low58.7Low97 Ų97108 Ų10845%0.44954%0.536SS..Hα-helixtrans-76.2-26.9-169.5-150.3-49.1000112N988 H989 I994 V995 H996N988-H992 VanDerWaalsContact O-CB 3.27Å; N988-H992 WeakPolarHBondContact O-CB 3.47Å; N988-H992 PolarHBondContact O-N 3.25Å; H989-H992 PolarHBondContact O-N 2.91Å; H992-I994 PolarHBondContact O-N 3.1Å; H992-V995 PolarHBondContact O-N 3.14Å; H992-H996 PolarHBondContact O-N 3.3Å; H992-H996 VanDerWaalsContact O-N 3.07Å
993S55.5Low57.6Low90 Ų90112.9 Ų112.963%0.62956%0.562SS**Hα-helixtrans-57.1-33.7166.3-170.40000112.6H989 K991H989-S993 PolarHBondContact O-N 2.97Å; K991-S993 VanDerWaalsContact C-N 3.34Å; K991-S993 PolarHBondContact O-N 2.88Å
994I51Low56.7Low118 Ų118115.9 Ų115.961%0.60558%0.577SS**Hα-helixtrans-77.7-38.1177.3-55.9172.3000111.3K991 H992K991-I994 WeakPolarHBondContact O-CB 3.47Å; K991-I994 PolarHBondContact O-N 3.19Å; K991-I994 VanDerWaalsContact O-N 3.09Å; H992-I994 PolarHBondContact O-N 3.1Å
995V52.9Low55.5Low85 Ų85116 Ų11652%0.51558%0.583SS.*Hα-helixtrans-83.1-29.8-171.2176.30000113.8K991 H992 N997 H998K991-V995 PolarHBondContact O-N 3.45Å; H992-V995 PolarHBondContact O-N 3.14Å; V995-N997 VanDerWaalsContact C-N 3.26Å; V995-N997 PolarHBondContact O-N 2.93Å; V995-N997 VanDerWaalsContact O-N 3.16Å; V995-H998 PolarHBondContact O-N 3.4Å
996H46.3Very low54.8Low116 Ų116117.6 Ų117.654%0.53759%0.59SS.*G310 helixtrans-60.5-31.9-170.8-164-78.4000113.8H992 H998H992-H996 PolarHBondContact O-N 3.3Å; H992-H996 VanDerWaalsContact O-N 3.07Å; H996-H998 PolarHBondContact O-N 3.37Å
997N48.6Very low54.5Low137 Ų137121.4 Ų121.473%0.73361%0.612SS**G310 helixtrans-66-18.3-179.6-81.9-48.6000114.9V995V995-N997 VanDerWaalsContact C-N 3.26Å; V995-N997 PolarHBondContact O-N 2.93Å; V995-N997 VanDerWaalsContact O-N 3.16Å
998H47.6Very low54Low164 Ų164124.3 Ų124.376%0.75962%0.624SS**G310 helixtrans-96.9-6.2-175.6-76.6-56.6000115.2V995 H996V995-H998 PolarHBondContact O-N 3.4Å; H996-H998 PolarHBondContact O-N 3.37Å
999R47.9Very low53.5Low175 Ų175127 Ų12766%0.6664%0.637SS**SBendtrans-94-14.6-166.6-172167.9168.7-177.8-6.6115.9
1000L53.3Low53.2Low142 Ų142126.9 Ų126.974%0.74364%0.64SS**THydrogen-bonded Turntrans-74.9-28.4-170-76.4166.4000115.1T1002L1000-T1002 PolarHBondContact O-N 3.39Å
1001N51.8Low53.3Low152 Ų152124 Ų12481%0.81364%0.639SS**THydrogen-bonded Turntrans-80.4-11.6-169.8-114.614.2000115.3
1002T49.6Very low53.2Low101 Ų101124.7 Ų124.762%0.6265%0.648SS**SBendtrans-90-22.1-164.7-33.80000114L1000L1000-T1002 PolarHBondContact O-N 3.39Å
1003N52.6Low53.5Low117 Ų117126.5 Ų126.563%0.62665%0.654SS**SBendtrans-83.1-25.7-166.8-65.7-12.1000114
1004E53.7Low53.8Low150 Ų150128 Ų12870%0.70166%0.655SS**Hα-helixtrans-81.4-28.4-168.1-164.1164.5176.200113.6H1006E1004-H1006 VanDerWaalsContact C-N 3.32Å; E1004-H1006 PolarHBondContact O-N 2.91Å
1005L52.3Low54.2Low136 Ų136128.5 Ų128.571%0.71266%0.655SS**Hα-helixtrans-71.6-22.5177.6-73.2170.3000113.7
1006H56.4Low54.3Low141 Ų141128.8 Ų128.865%0.65366%0.66SS**Hα-helixtrans-75.1-40.5-175.2-143.960.2000111.8E1004 Q1008 L1009E1004-H1006 VanDerWaalsContact C-N 3.32Å; E1004-H1006 PolarHBondContact O-N 2.91Å; H1006-Q1008 VanDerWaalsContact C-N 3.31Å; H1006-Q1008 PolarHBondContact O-N 3.31Å; H1006-L1009 PolarHBondContact O-N 3.49Å
1007V59.9Low55Low116 Ų116128.4 Ų128.470%0.70366%0.662SS**Hα-helixtrans-66.3-30.3-175.2-178.20000112.7
1008Q56.4Low55.6Low133 Ų133127.4 Ų127.462%0.62165%0.652SS**Hα-helixtrans-77.5-21.5-177.5-59.8-173.812.100113.4H1006H1006-Q1008 VanDerWaalsContact C-N 3.31Å; H1006-Q1008 PolarHBondContact O-N 3.31Å
1009L54.7Low56Low129 Ų129125 Ų12568%0.67565%0.645SS**Hα-helixtrans-78.4-41.5-171.3-162.970.2000112.9H1006H1006-L1009 PolarHBondContact O-N 3.49Å
1010D57.8Low56.7Low89 Ų89122 Ų12248%0.47664%0.642SS.*Hα-helixtrans-72.3-30.3-177.6-78.3-37.4000113.2L1012 K1013D1010-L1012 VanDerWaalsContact C-N 3.28Å; D1010-L1012 PolarHBondContact O-N 2.93Å; D1010-K1013 PolarHBondContact O-N 3.06Å
1011S58.7Low57.1Low94 Ų94119.3 Ų119.366%0.65764%0.635SS**Hα-helixtrans-66.3-27.9179.5-170.80000113.4
1012L55.2Low57.6Low136 Ų136117.8 Ų117.871%0.71262%0.623SS**Hα-helixtrans-80-33.2179.1-131.577.1000112D1010 N1014 H1015D1010-L1012 VanDerWaalsContact C-N 3.28Å; D1010-L1012 PolarHBondContact O-N 2.93Å; L1012-N1014 VanDerWaalsContact C-N 3.32Å; L1012-N1014 PolarHBondContact O-N 2.91Å; L1012-H1015 PolarHBondContact O-N 3.2Å
1013K62.5Low57.9Low136 Ų136118.7 Ų118.759%0.59162%0.623SS**Hα-helixtrans-65.1-31.6-172.5-168.7176.8179.1-176.30113.5D1010 N1017D1010-K1013 PolarHBondContact O-N 3.06Å; K1013-N1017 PolarHBondContact O-ND2 2.98Å
1014N61.4Low58.4Low120 Ų120118.2 Ų118.264%0.64262%0.62SS**THydrogen-bonded Turntrans-81.7-23.8-176.5-67-23.7000113.6L1012L1012-N1014 VanDerWaalsContact C-N 3.32Å; L1012-N1014 PolarHBondContact O-N 2.91Å
1015H57.9Low58.6Low129 Ų129116 Ų11660%0.59761%0.609SS**Hα-helixtrans-80.4-33.4-173.3-165.752.3000113.8L1012L1012-H1015 PolarHBondContact O-N 3.2Å
1016C56.9Low58.9Low92 Ų92112.1 Ų112.162%0.62260%0.597SS**Hα-helixtrans-76.2-23.3-175.8-66.80000114.6
1017N60.9Low58.7Low108 Ų108112.6 Ų112.658%0.57860%0.599SS**Hα-helixtrans-77.3-29.4-176.8-64.3-27.5000112.8K1013 S1021K1013-N1017 PolarHBondContact O-ND2 2.98Å; N1017-S1021 PolarHBondContact O-OG 2.78Å
1018E60.7Low58.8Low115 Ų115111.5 Ų111.554%0.53759%0.589SS.*Hα-helixtrans-69.5-53.2-175.9-164.862-125.500111.7N1020 Q1022E1018-N1020 PolarHBondContact O-N 3.46Å; E1018-Q1022 PolarHBondContact OE1-NE2 3.01Å
1019L55.9Low59.1Low115 Ų115107.9 Ų107.960%0.60257%0.574SS**Hα-helixtrans-70.4-30.8-171.1-80.6162.3000114.5
1020N61.7Low59.2Low111 Ų111107.7 Ų107.759%0.59457%0.574SS**Hα-helixtrans-77.3-29.3-176.2-165.451.3000112.7E1018E1018-N1020 PolarHBondContact O-N 3.46Å
1021S61.9Low59.2Low85 Ų85111.7 Ų111.759%0.59459%0.589SS**Hα-helixtrans-76.8-35.3-174.6-54.90000112.7N1017N1017-S1021 PolarHBondContact O-OG 2.78Å
1022Q62Low59.3Low121 Ų121112.1 Ų112.157%0.56558%0.58SS**Hα-helixtrans-75.6-26.4-172.9-61.4-178.813.800113.7E1018E1018-Q1022 PolarHBondContact OE1-NE2 3.01Å
1023L57.5Low59.5Low120 Ų120111.1 Ų111.163%0.62857%0.574SS**Hα-helixtrans-82.4-39.1-173.3-17462.2000113.8
1024I61.9Low59.2Low107 Ų107108.8 Ų108.855%0.54958%0.58SS.*Hα-helixtrans-71.4-34.5-173.2-65.9174.2000111.7
1025Q58.2Low59.1Low103 Ų103106.3 Ų106.348%0.48158%0.576SS.*Hα-helixtrans-68.1-52.6-175.3-16958.95000112.2Q1027 L1028 D1029Q1025-Q1027 PolarHBondContact O-N 2.95Å; Q1025-L1028 PolarHBondContact O-N 2.66Å; Q1025-D1029 PolarHBondContact NE2-OD1 2.94Å; Q1025-D1029 PolarHBondContact O-N 2.94Å
1026A58.7Low59.2Low55 Ų55103 Ų10346%0.45556%0.563SS.*Hα-helixtrans-61.6-21.7-171.500000115.1N1030A1026-N1030 PolarHBondContact O-ND2 3.4Å; A1026-N1030 VanDerWaalsContact O-ND2 3.11Å
1027Q52.9Low59.2Low150 Ų150104.6 Ų104.670%0.70156%0.562SS**Hα-helixtrans-85.1-23175.9-60-167.3-80.100113Q1025Q1025-Q1027 PolarHBondContact O-N 2.95Å
1028L62.2Low59.4Low93 Ų93106.3 Ų106.349%0.48756%0.564SS.*Hα-helixtrans-86.2-31.4-178.9-148.1146.4000111.5Q1025 N1030 K1032Q1025-L1028 PolarHBondContact O-N 2.66Å; L1028-N1030 PolarHBondContact O-N 3.22Å; L1028-K1032 HydrophobicContact CD2-CD 4.03Å; L1028-K1032 HydrophobicContact CD2-CG 4.3Å; L1028-K1032 PolarHBondContact O-N 2.83Å
1029D61.3Low59.7Low58 Ų58102.7 Ų102.731%0.3155%0.551SS.*Hα-helixtrans-64.5-36-178.9-59.8-33.8000113.2Q1025 Q1031 K1032 L1033Q1025-D1029 PolarHBondContact NE2-OD1 2.94Å; Q1025-D1029 PolarHBondContact O-N 2.94Å; D1029-Q1031 PolarHBondContact O-N 2.85Å; D1029-K1032 PolarHBondContact O-N 2.89Å; D1029-L1033 PolarHBondContact O-N 3.2Å
1030N57.7Low60.2Low125 Ų125100.2 Ų100.267%0.66854%0.541SS*.Hα-helixtrans-73.9-23.6-175.7-81-76.9000114.6A1026 L1028A1026-N1030 PolarHBondContact O-ND2 3.4Å; A1026-N1030 VanDerWaalsContact O-ND2 3.11Å; L1028-N1030 PolarHBondContact O-N 3.22Å
1031Q57.7Low60.5Low173 Ų17399.2 Ų99.281%0.80854%0.536SS*.Hα-helixtrans-90.5-24.4172.4-72.1-169.1-8.600112.7D1029D1029-Q1031 PolarHBondContact O-N 2.85Å
1032K60.2Low60.9Low103 Ų103101.1 Ų101.145%0.44854%0.535SS..Hα-helixtrans-62.9-44.3170.9-89.6-177.4172.9176.30112.4L1028 D1029 A1034 A1035 D1036L1028-K1032 HydrophobicContact CD2-CD 4.03Å; L1028-K1032 HydrophobicContact CD2-CG 4.3Å; L1028-K1032 PolarHBondContact O-N 2.83Å; D1029-K1032 PolarHBondContact O-N 2.89Å; K1032-A1034 PolarHBondContact O-N 3.21Å; K1032-A1035 WeakPolarHBondContact O-CA 3.39Å; K1032-A1035 PolarHBondContact O-N 3.36Å; K1032-D1036 WeakPolarHBondContact CB-OD2 3.29Å; K1032-D1036 PolarHBondContact O-N 2.87Å
1033L58.5Low61.6Low114 Ų114100.3 Ų100.360%0.59753%0.53SS*.Hα-helixtrans-47.2-39-173.8-118.580.5000115.1D1029 D1036 Q1037D1029-L1033 PolarHBondContact O-N 3.2Å; L1033-D1036 PolarHBondContact O-N 2.8Å; L1033-Q1037 PolarHBondContact O-N 2.84Å; L1033-Q1037 VanDerWaalsContact O-N 3.13Å
1034A56.2Low62.5Low87 Ų87100.8 Ų100.872%0.71953%0.527SS*.Hα-helixtrans-75.1-26.6-178.800000114K1032K1032-A1034 PolarHBondContact O-N 3.21Å
1035A60.7Low63.3Low68 Ų68100.5 Ų100.556%0.56253%0.527SS*.Hα-helixtrans-85-34.817000000111.2K1032 Q1037 K1038 S1039K1032-A1035 WeakPolarHBondContact O-CA 3.39Å; K1032-A1035 PolarHBondContact O-N 3.36Å; A1035-Q1037 VanDerWaalsContact C-N 3.27Å; A1035-Q1037 PolarHBondContact O-N 2.85Å; A1035-K1038 PolarHBondContact O-N 3.28Å; A1035-S1039 PolarHBondContact O-N 3.49Å; A1035-S1039 VanDerWaalsContact O-N 3.08Å
1036D59.1Low64.3Low61 Ų6199.2 Ų99.233%0.32653%0.529SS..Hα-helixtrans-58.8-37.1175.8-76.4-41.6000111.8K1032 L1033 K1038 S1039 T1040K1032-D1036 WeakPolarHBondContact CB-OD2 3.29Å; K1032-D1036 PolarHBondContact O-N 2.87Å; L1033-D1036 PolarHBondContact O-N 2.8Å; D1036-K1038 VanDerWaalsContact C-N 3.3Å; D1036-K1038 PolarHBondContact O-N 2.86Å; D1036-S1039 CarbonylContact O-C 3.56Å; D1036-S1039 WeakPolarHBondContact O-CA 3.38Å; D1036-S1039 WeakPolarHBondContact O-CB 3.08Å; D1036-S1039 PolarHBondContact O-N 3.02Å; D1036-S1039 VanDerWaalsContact O-N 3.07Å; D1036-T1040 PolarHBondContact O-N 3.47Å; D1036-T1040 PolarHBondContact O-OG1 3.44Å
1037Q58.1Low65.2Low125 Ų125101.4 Ų101.458%0.58453%0.532SS*.Hα-helixtrans-57.2-40.4177.9-167.366.458.800113L1033 A1035 T1040 D1041L1033-Q1037 PolarHBondContact O-N 2.84Å; L1033-Q1037 VanDerWaalsContact O-N 3.13Å; A1035-Q1037 VanDerWaalsContact C-N 3.27Å; A1035-Q1037 PolarHBondContact O-N 2.85Å; Q1037-T1040 VanDerWaalsContact C-OG1 3.28Å; Q1037-T1040 VanDerWaalsContact CA-OG1 3.3Å; Q1037-T1040 WeakPolarHBondContact CA-OG1 3.46Å; Q1037-T1040 PolarHBondContact O-N 3.4Å; Q1037-T1040 PolarHBondContact O-OG1 3.44Å; Q1037-D1041 PolarHBondContact O-N 3.47Å
1038K64.4Low66.4Low144 Ų14499 Ų9963%0.62652%0.521SS*.Hα-helixtrans-77.6-33.2175.9-167.1178.2178.3-172.40111.9A1035 D1036 T1040 D1041 E1042A1035-K1038 PolarHBondContact O-N 3.28Å; D1036-K1038 VanDerWaalsContact C-N 3.3Å; D1036-K1038 PolarHBondContact O-N 2.86Å; K1038-T1040 VanDerWaalsContact C-N 3.27Å; K1038-T1040 PolarHBondContact O-N 2.96Å; K1038-D1041 PolarHBondContact O-N 2.91Å; K1038-E1042 PolarHBondContact O-N 2.88Å
1039S66.9Low67.4Low38 Ų3896.2 Ų96.227%0.26651%0.514SS..Hα-helixtrans-64.4-31.6170.3-171.60000112A1035 D1036 K1043A1035-S1039 PolarHBondContact O-N 3.49Å; A1035-S1039 VanDerWaalsContact O-N 3.08Å; D1036-S1039 CarbonylContact O-C 3.56Å; D1036-S1039 WeakPolarHBondContact O-CA 3.38Å; D1036-S1039 WeakPolarHBondContact O-CB 3.08Å; D1036-S1039 PolarHBondContact O-N 3.02Å; D1036-S1039 VanDerWaalsContact O-N 3.07Å; S1039-K1043 VanDerWaalsContact O-CB 3.26Å; S1039-K1043 WeakPolarHBondContact O-CB 3.21Å; S1039-K1043 WeakPolarHBondContact O-CD 3.5Å; S1039-K1043 WeakPolarHBondContact O-CG 3.44Å; S1039-K1043 PolarHBondContact O-N 3.36Å; S1039-K1043 VanDerWaalsContact OG-CE 3.29Å; S1039-K1043 WeakPolarHBondContact OG-CE 3.46Å; S1039-K1043 PolarHBondContact OG-NZ 2.78Å
1040T66.1Low68.4Low63 Ų6396.7 Ų96.739%0.38752%0.522SS..Hα-helixtrans-71.2-32.7175.944.40000112.2D1036 Q1037 K1038 K1043 F1044D1036-T1040 PolarHBondContact O-N 3.47Å; D1036-T1040 PolarHBondContact O-OG1 3.44Å; Q1037-T1040 VanDerWaalsContact C-OG1 3.28Å; Q1037-T1040 VanDerWaalsContact CA-OG1 3.3Å; Q1037-T1040 WeakPolarHBondContact CA-OG1 3.46Å; Q1037-T1040 PolarHBondContact O-N 3.4Å; Q1037-T1040 PolarHBondContact O-OG1 3.44Å; K1038-T1040 VanDerWaalsContact C-N 3.27Å; K1038-T1040 PolarHBondContact O-N 2.96Å; T1040-K1043 CarbonylContact O-C 3.43Å; T1040-K1043 PolarHBondContact O-N 3.42Å; T1040-F1044 WeakPolarHBondContact O-CA 3.36Å; T1040-F1044 WeakPolarHBondContact O-CB 3.33Å; T1040-F1044 PolarHBondContact O-N 2.74Å
1041D67.8Low69.4Low91 Ų9195.1 Ų95.149%0.48751%0.513SS..Hα-helixtrans-68.6-42.6174.5-62-17.4000111.2Q1037 K1038 F1044 N1045Q1037-D1041 PolarHBondContact O-N 3.47Å; K1038-D1041 PolarHBondContact O-N 2.91Å; D1041-F1044 PolarHBondContact O-N 3.48Å; D1041-N1045 PolarHBondContact O-N 2.75Å; D1041-N1045 PolarHBondContact O-ND2 3.36Å
1042E71.6Confident70.6Confident125 Ų12591.3 Ų91.358%0.58450%0.497SS*.Hα-helixtrans-67.1-39.3174.4-71.2175.6-174.200112K1038 S1046K1038-E1042 PolarHBondContact O-N 2.88Å; E1042-S1046 WeakPolarHBondContact O-CB 3.38Å; E1042-S1046 PolarHBondContact O-N 2.82Å
1043K76.3Confident71.7Confident103 Ų10393.3 Ų93.345%0.44851%0.506SS..Hα-helixtrans-64.8-36.8170.3-74.6162-179.4147.80111.8S1039 T1040 S1046 I1047S1039-K1043 VanDerWaalsContact O-CB 3.26Å; S1039-K1043 WeakPolarHBondContact O-CB 3.21Å; S1039-K1043 WeakPolarHBondContact O-CD 3.5Å; S1039-K1043 WeakPolarHBondContact O-CG 3.44Å; S1039-K1043 PolarHBondContact O-N 3.36Å; S1039-K1043 VanDerWaalsContact OG-CE 3.29Å; S1039-K1043 WeakPolarHBondContact OG-CE 3.46Å; S1039-K1043 PolarHBondContact OG-NZ 2.78Å; T1040-K1043 CarbonylContact O-C 3.43Å; T1040-K1043 PolarHBondContact O-N 3.42Å; K1043-S1046 CarbonylContact O-C 3.49Å; K1043-S1046 PolarHBondContact O-N 2.74Å; K1043-I1047 VanDerWaalsContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CD1 3.35Å; K1043-I1047 WeakPolarHBondContact O-CG1 2.91Å; K1043-I1047 PolarHBondContact O-N 2.93Å
1044F76.7Confident72.7Confident131 Ų13189.9 Ų89.958%0.57549%0.494SS*.Hα-helixtrans-65.4-47.3179.3-169.3-86.7000110.3T1040 D1041 S1046 I1047 E1048T1040-F1044 WeakPolarHBondContact O-CA 3.36Å; T1040-F1044 WeakPolarHBondContact O-CB 3.33Å; T1040-F1044 PolarHBondContact O-N 2.74Å; D1041-F1044 PolarHBondContact O-N 3.48Å; F1044-S1046 VanDerWaalsContact C-N 3.28Å; F1044-S1046 PolarHBondContact O-N 3.36Å; F1044-I1047 CarbonylContact O-C 3.55Å; F1044-I1047 PolarHBondContact O-N 2.64Å; F1044-E1048 WeakPolarHBondContact O-CB 3.23Å; F1044-E1048 PolarHBondContact O-N 3.39Å
1045N77.2Confident74Confident101 Ų10189.6 Ų89.654%0.5448%0.48SS..Hα-helixtrans-61.1-36.3173.2-65.9-34.8000112.3D1041 G1049D1041-N1045 PolarHBondContact O-N 2.75Å; D1041-N1045 PolarHBondContact O-ND2 3.36Å; N1045-G1049 PolarHBondContact O-N 2.72Å
1046S80.4Confident75.1Confident75 Ų7591.9 Ų91.952%0.52448%0.479SS..Hα-helixtrans-70.8-35.8175-172.30000113.1E1042 K1043 F1044 S1050E1042-S1046 WeakPolarHBondContact O-CB 3.38Å; E1042-S1046 PolarHBondContact O-N 2.82Å; K1043-S1046 CarbonylContact O-C 3.49Å; K1043-S1046 PolarHBondContact O-N 2.74Å; F1044-S1046 VanDerWaalsContact C-N 3.28Å; F1044-S1046 PolarHBondContact O-N 3.36Å; S1046-S1050 WeakPolarHBondContact O-CB 3.31Å; S1046-S1050 PolarHBondContact O-N 3.42Å; S1046-S1050 PolarHBondContact O-OG 3.29Å
1047I77.3Confident76.3Confident101 Ų10192.4 Ų92.452%0.51849%0.485SS..Hα-helixtrans-69.7-44.3174-74.1163.2000109.8K1043 F1044 S1050 L1051K1043-I1047 VanDerWaalsContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CB 3.31Å; K1043-I1047 WeakPolarHBondContact O-CD1 3.35Å; K1043-I1047 WeakPolarHBondContact O-CG1 2.91Å; K1043-I1047 PolarHBondContact O-N 2.93Å; F1044-I1047 CarbonylContact O-C 3.55Å; F1044-I1047 PolarHBondContact O-N 2.64Å; I1047-S1050 CarbonylContact O-C 3.58Å; I1047-S1050 WeakPolarHBondContact O-CA 3.33Å; I1047-S1050 WeakPolarHBondContact O-CB 3.41Å; I1047-S1050 PolarHBondContact O-N 3.08Å; I1047-S1050 VanDerWaalsContact O-N 3.07Å; I1047-L1051 HydrophobicContact CG2-CD1 4.4Å; I1047-L1051 WeakPolarHBondContact O-CB 3.34Å; I1047-L1051 PolarHBondContact O-N 2.87Å
1048E78.8Confident77.5Confident101 Ų10190 Ų9047%0.47248%0.476SS..Hα-helixtrans-61.8-45.8176.1-174.8170.4-147.100111.4F1044 S1050 L1051 I1052F1044-E1048 WeakPolarHBondContact O-CB 3.23Å; F1044-E1048 PolarHBondContact O-N 3.39Å; E1048-S1050 PolarHBondContact O-N 3.13Å; E1048-L1051 WeakPolarHBondContact O-CB 3.27Å; E1048-L1051 PolarHBondContact O-N 2.81Å; E1048-L1051 VanDerWaalsContact O-N 3.09Å; E1048-I1052 HydrophobicContact CG-CD1 4.45Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; E1048-I1052 PolarHBondContact O-N 3.05Å
1049G82Confident78.5Confident33 Ų3387.6 Ų87.634%0.3447%0.469SS..Hα-helixtrans-61.3-30.4171.500000113.8N1045 K1053N1045-G1049 PolarHBondContact O-N 2.72Å; G1049-K1053 WeakPolarHBondContact O-CG 3.4Å; G1049-K1053 PolarHBondContact O-N 3.49Å
1050S82.8Confident79.3Confident68 Ų6891.8 Ų91.848%0.47649%0.485SS..Hα-helixtrans-77.7-31.8173.1-57.30000112.4S1046 I1047 E1048 K1053 A1054S1046-S1050 WeakPolarHBondContact O-CB 3.31Å; S1046-S1050 PolarHBondContact O-N 3.42Å; S1046-S1050 PolarHBondContact O-OG 3.29Å; I1047-S1050 CarbonylContact O-C 3.58Å; I1047-S1050 WeakPolarHBondContact O-CA 3.33Å; I1047-S1050 WeakPolarHBondContact O-CB 3.41Å; I1047-S1050 PolarHBondContact O-N 3.08Å; I1047-S1050 VanDerWaalsContact O-N 3.07Å; E1048-S1050 PolarHBondContact O-N 3.13Å; S1050-K1053 PolarHBondContact O-N 2.83Å; S1050-A1054 WeakPolarHBondContact O-CB 3.35Å; S1050-A1054 PolarHBondContact O-N 3.38Å
1051L79.4Confident80Confident92 Ų9293.9 Ų93.948%0.48249%0.493SS..Hα-helixtrans-69.4-39.3174.4-118.8158.6000111.2I1047 E1048 A1054 N1055I1047-L1051 HydrophobicContact CG2-CD1 4.4Å; I1047-L1051 WeakPolarHBondContact O-CB 3.34Å; I1047-L1051 PolarHBondContact O-N 2.87Å; E1048-L1051 WeakPolarHBondContact O-CB 3.27Å; E1048-L1051 PolarHBondContact O-N 2.81Å; E1048-L1051 VanDerWaalsContact O-N 3.09Å; L1051-A1054 PolarHBondContact O-N 3.17Å; L1051-N1055 WeakPolarHBondContact O-CB 3.35Å; L1051-N1055 PolarHBondContact O-N 3.5Å; L1051-N1055 PolarHBondContact O-ND2 2.88Å
1052I82.6Confident80.9Confident94 Ų9494.9 Ų94.948%0.48249%0.493SS..Hα-helixtrans-61.2-46.2171.6-69165.8000110.2E1048 N1055 Q1056E1048-I1052 HydrophobicContact CG-CD1 4.45Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.26Å; E1048-I1052 PolarHBondContact O-N 3.05Å; I1052-N1055 PolarHBondContact O-N 2.9Å; I1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; I1052-Q1056 PolarHBondContact O-N 2.94Å
1053K82.9Confident81.5Confident144 Ų14497.8 Ų97.863%0.62650%0.499SS*.Hα-helixtrans-62.1-45.9174.2-74.5179.9178.1-177.40112.2G1049 S1050 N1055 Q1056 T1057G1049-K1053 WeakPolarHBondContact O-CG 3.4Å; G1049-K1053 PolarHBondContact O-N 3.49Å; S1050-K1053 PolarHBondContact O-N 2.83Å; K1053-N1055 VanDerWaalsContact C-N 3.31Å; K1053-N1055 PolarHBondContact O-N 3.48Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.33Å; K1053-Q1056 PolarHBondContact O-N 3.25Å; K1053-Q1056 VanDerWaalsContact O-N 3.14Å; K1053-T1057 PolarHBondContact O-N 2.87Å; K1053-T1057 PolarHBondContact O-OG1 3.01Å
1054A80.4Confident81.8Confident42 Ų4297.2 Ų97.235%0.34750%0.501SS..Hα-helixtrans-61.2-39.7177.800000112S1050 L1051 T1057 I1058S1050-A1054 WeakPolarHBondContact O-CB 3.35Å; S1050-A1054 PolarHBondContact O-N 3.38Å; L1051-A1054 PolarHBondContact O-N 3.17Å; A1054-T1057 PolarHBondContact O-N 3.41Å; A1054-I1058 WeakPolarHBondContact O-CB 3.38Å; A1054-I1058 WeakPolarHBondContact O-CD1 3.43Å; A1054-I1058 VanDerWaalsContact O-CG1 3.22Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; A1054-I1058 PolarHBondContact O-N 3.39Å
1055N81.9Confident82.2Confident81 Ų8195.7 Ų95.743%0.43350%0.495SS..Hα-helixtrans-64.3-39.8174-73.7-29.5000111.9L1051 I1052 K1053 I1058 D1059L1051-N1055 WeakPolarHBondContact O-CB 3.35Å; L1051-N1055 PolarHBondContact O-N 3.5Å; L1051-N1055 PolarHBondContact O-ND2 2.88Å; I1052-N1055 PolarHBondContact O-N 2.9Å; K1053-N1055 VanDerWaalsContact C-N 3.31Å; K1053-N1055 PolarHBondContact O-N 3.48Å; N1055-I1058 PolarHBondContact O-N 2.93Å; N1055-D1059 PolarHBondContact O-N 2.75Å
1056Q84.8Confident82.5Confident116 Ų11694.5 Ų94.554%0.54250%0.495SS..Hα-helixtrans-60.6-45.4171.5-70.7170.1-25.900111.4I1052 K1053 I1058 D1059 E1060I1052-Q1056 WeakPolarHBondContact O-CG 3.34Å; I1052-Q1056 PolarHBondContact O-N 2.94Å; K1053-Q1056 WeakPolarHBondContact O-CB 3.33Å; K1053-Q1056 PolarHBondContact O-N 3.25Å; K1053-Q1056 VanDerWaalsContact O-N 3.14Å; Q1056-I1058 VanDerWaalsContact C-N 3.32Å; Q1056-I1058 PolarHBondContact O-N 3.21Å; Q1056-D1059 PolarHBondContact O-N 3.08Å; Q1056-E1060 PolarHBondContact O-N 3.45Å
1057T84.4Confident82.6Confident73 Ų7394.8 Ų94.845%0.44849%0.49SS..Hα-helixtrans-64.6-35.4176-34.20000112.1K1053 A1054 E1060 L1061K1053-T1057 PolarHBondContact O-N 2.87Å; K1053-T1057 PolarHBondContact O-OG1 3.01Å; A1054-T1057 PolarHBondContact O-N 3.41Å; T1057-E1060 PolarHBondContact O-N 2.87Å; T1057-L1061 WeakPolarHBondContact O-CB 3.47Å; T1057-L1061 VanDerWaalsContact O-CG 3.23Å; T1057-L1061 WeakPolarHBondContact O-CG 3.27Å; T1057-L1061 PolarHBondContact O-N 2.65Å
1058I83.5Confident82.8Confident75 Ų7594.7 Ų94.739%0.38549%0.49SS..Hα-helixtrans-65-39175-75.9163.6000111.2A1054 N1055 Q1056 L1061 K1062A1054-I1058 WeakPolarHBondContact O-CB 3.38Å; A1054-I1058 WeakPolarHBondContact O-CD1 3.43Å; A1054-I1058 VanDerWaalsContact O-CG1 3.22Å; A1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; A1054-I1058 PolarHBondContact O-N 3.39Å; N1055-I1058 PolarHBondContact O-N 2.93Å; Q1056-I1058 VanDerWaalsContact C-N 3.32Å; Q1056-I1058 PolarHBondContact O-N 3.21Å; I1058-L1061 PolarHBondContact O-N 3.42Å; I1058-K1062 WeakPolarHBondContact O-CG 3.37Å; I1058-K1062 PolarHBondContact O-N 3.33Å
1059D84Confident83.1Confident93 Ų9395.6 Ų95.650%0.49749%0.492SS..Hα-helixtrans-74.4-31.8177.1-72.9-21.8000112.8N1055 Q1056 K1062 R1063N1055-D1059 PolarHBondContact O-N 2.75Å; Q1056-D1059 PolarHBondContact O-N 3.08Å; D1059-K1062 WeakPolarHBondContact OD1-CD 3.46Å; D1059-K1062 IonicContact OD1-NZ 2.66Å; D1059-K1062 PolarHBondContact OD1-NZ 3.25Å; D1059-R1063 PolarHBondContact O-N 3.44Å; D1059-R1063 VanDerWaalsContact O-N 3.13Å
1060E83.6Confident83.3Confident125 Ų12599.8 Ų99.858%0.58450%0.503SS*.Hα-helixtrans-64.2-42.6166.5-71.5178.1161.600111.8Q1056 T1057 R1063 N1064Q1056-E1060 PolarHBondContact O-N 3.45Å; T1057-E1060 PolarHBondContact O-N 2.87Å; E1060-R1063 WeakPolarHBondContact O-CB 3.44Å; E1060-R1063 PolarHBondContact O-N 2.65Å; E1060-R1063 VanDerWaalsContact O-N 3.16Å; E1060-N1064 PolarHBondContact O-N 2.9Å
1061L81.8Confident83.3Confident108 Ų108100.8 Ų100.857%0.56550%0.503SS*.Hα-helixtrans-63-41.7176-75.4167.3000112.2T1057 I1058 R1063 N1064 E1065T1057-L1061 WeakPolarHBondContact O-CB 3.47Å; T1057-L1061 VanDerWaalsContact O-CG 3.23Å; T1057-L1061 WeakPolarHBondContact O-CG 3.27Å; T1057-L1061 PolarHBondContact O-N 2.65Å; I1058-L1061 PolarHBondContact O-N 3.42Å; L1061-R1063 VanDerWaalsContact C-N 3.29Å; L1061-R1063 PolarHBondContact O-N 3.43Å; L1061-N1064 PolarHBondContact O-N 2.82Å; L1061-E1065 WeakPolarHBondContact O-CB 3.33Å; L1061-E1065 PolarHBondContact O-N 3.29Å
1062K86Confident83.5Confident112 Ų112103.1 Ų103.149%0.48751%0.506SS..Hα-helixtrans-60-38.3172.1-70.7168.1-163.6159.30112.2I1058 D1059 E1065 S1066I1058-K1062 WeakPolarHBondContact O-CG 3.37Å; I1058-K1062 PolarHBondContact O-N 3.33Å; D1059-K1062 WeakPolarHBondContact OD1-CD 3.46Å; D1059-K1062 IonicContact OD1-NZ 2.66Å; D1059-K1062 PolarHBondContact OD1-NZ 3.25Å; K1062-E1065 PolarHBondContact O-N 2.83Å; K1062-S1066 PolarHBondContact O-N 2.73Å; K1062-S1066 VanDerWaalsContact O-N 3.11Å
1063R85.6Confident83.6Confident185 Ų185102.9 Ų102.970%0.69851%0.509SS*.Hα-helixtrans-64.1-45.1176.4-162.5-174.5-162.292.64.3111D1059 E1060 L1061 S1066 I1067D1059-R1063 PolarHBondContact O-N 3.44Å; D1059-R1063 VanDerWaalsContact O-N 3.13Å; E1060-R1063 WeakPolarHBondContact O-CB 3.44Å; E1060-R1063 PolarHBondContact O-N 2.65Å; E1060-R1063 VanDerWaalsContact O-N 3.16Å; L1061-R1063 VanDerWaalsContact C-N 3.29Å; L1061-R1063 PolarHBondContact O-N 3.43Å; R1063-S1066 WeakPolarHBondContact O-CB 3.37Å; R1063-S1066 PolarHBondContact O-N 2.89Å; R1063-I1067 PolarHBondContact O-N 3.38Å
1064N82.7Confident83.8Confident92 Ų92100.1 Ų100.149%0.49250%0.501SS..Hα-helixtrans-66.4-37.7176.9-67.4-18.8000111.9E1060 L1061 S1066 I1067 L1068E1060-N1064 PolarHBondContact O-N 2.9Å; L1061-N1064 PolarHBondContact O-N 2.82Å; N1064-S1066 VanDerWaalsContact C-N 3.29Å; N1064-S1066 PolarHBondContact O-N 3.37Å; N1064-I1067 PolarHBondContact O-N 2.78Å; N1064-L1068 WeakPolarHBondContact O-CB 3.39Å; N1064-L1068 PolarHBondContact O-N 3.37Å
1065E84.4Confident83.8Confident98 Ų98104 Ų10446%0.45851%0.512SS..Hα-helixtrans-59.2-39.3173.2-167-163.7153.800111.9L1061 K1062 L1068 K1069L1061-E1065 WeakPolarHBondContact O-CB 3.33Å; L1061-E1065 PolarHBondContact O-N 3.29Å; K1062-E1065 PolarHBondContact O-N 2.83Å; E1065-L1068 PolarHBondContact O-N 3.15Å; E1065-K1069 WeakPolarHBondContact O-CG 3.12Å; E1065-K1069 PolarHBondContact O-N 2.89Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.32Å; E1065-K1069 IonicContact OE1-NZ 2.65Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å
1066S82.3Confident83.9Confident76 Ų76105 Ų10553%0.53152%0.517SS..Hα-helixtrans-65.2-43.3176-163.20000112.3K1062 R1063 N1064 L1068 K1069 E1070K1062-S1066 PolarHBondContact O-N 2.73Å; K1062-S1066 VanDerWaalsContact O-N 3.11Å; R1063-S1066 WeakPolarHBondContact O-CB 3.37Å; R1063-S1066 PolarHBondContact O-N 2.89Å; N1064-S1066 VanDerWaalsContact C-N 3.29Å; N1064-S1066 PolarHBondContact O-N 3.37Å; S1066-L1068 VanDerWaalsContact C-N 3.33Å; S1066-K1069 PolarHBondContact O-N 3.16Å; S1066-E1070 PolarHBondContact O-N 3.43Å; S1066-E1070 VanDerWaalsContact O-N 3.12Å
1067I83.3Confident84Confident82 Ų82105 Ų10542%0.42152%0.515SS..Hα-helixtrans-66.3-37.4176.4-63.5167.1000110.5R1063 N1064 K1069 E1070 N1071R1063-I1067 PolarHBondContact O-N 3.38Å; N1064-I1067 PolarHBondContact O-N 2.78Å; I1067-K1069 PolarHBondContact O-N 3.41Å; I1067-E1070 PolarHBondContact O-N 2.86Å; I1067-N1071 PolarHBondContact O-N 3.33Å
1068L81.3Confident83.9Confident99 Ų99106.8 Ų106.852%0.51852%0.522SS..Hα-helixtrans-62.4-42.8175.9-137.675.5000111.4N1064 E1065 S1066 N1071 Y1072N1064-L1068 WeakPolarHBondContact O-CB 3.39Å; N1064-L1068 PolarHBondContact O-N 3.37Å; E1065-L1068 PolarHBondContact O-N 3.15Å; S1066-L1068 VanDerWaalsContact C-N 3.33Å; L1068-N1071 PolarHBondContact O-N 2.7Å; L1068-Y1072 HydrophobicContact CD2-CE2 3.95Å; L1068-Y1072 HydrophobicContact CG-CD2 4.27Å; L1068-Y1072 HydrophobicContact CG-CE2 3.95Å; L1068-Y1072 WeakPolarHBondContact O-CD2 3.46Å; L1068-Y1072 PolarHBondContact O-N 3.31Å
1069K86.1Confident84Confident119 Ų119108.8 Ų108.852%0.51753%0.528SS..Hα-helixtrans-64-39.5176-73.7171.5-174.5169.40112.5E1065 S1066 I1067 T1073E1065-K1069 WeakPolarHBondContact O-CG 3.12Å; E1065-K1069 PolarHBondContact O-N 2.89Å; E1065-K1069 WeakPolarHBondContact OE1-CE 3.32Å; E1065-K1069 IonicContact OE1-NZ 2.65Å; E1065-K1069 PolarHBondContact OE1-NZ 3.39Å; S1066-K1069 PolarHBondContact O-N 3.16Å; I1067-K1069 PolarHBondContact O-N 3.41Å; K1069-T1073 WeakPolarHBondContact O-CB 3.31Å; K1069-T1073 PolarHBondContact O-N 3.39Å; K1069-T1073 PolarHBondContact O-OG1 3.5Å
1070E85.1Confident84.1Confident122 Ų122110.3 Ų110.357%0.5753%0.532SS*.Hα-helixtrans-64.1-46.2175.2-170.8170.5-174.800111.4S1066 I1067 Y1072 T1073 N1074S1066-E1070 PolarHBondContact O-N 3.43Å; S1066-E1070 VanDerWaalsContact O-N 3.12Å; I1067-E1070 PolarHBondContact O-N 2.86Å; E1070-Y1072 PolarHBondContact O-N 3.19Å; E1070-T1073 WeakPolarHBondContact O-CB 3.15Å; E1070-T1073 PolarHBondContact O-N 2.75Å; E1070-N1074 PolarHBondContact O-N 2.78Å; E1070-N1074 PolarHBondContact O-ND2 2.74Å
1071N83.7Confident84.2Confident89 Ų89108.7 Ų108.748%0.47652%0.524SS..Hα-helixtrans-61.8-43.8175.3-78.2-17.7000112.9I1067 L1068 T1073 N1074 Q1075I1067-N1071 PolarHBondContact O-N 3.33Å; L1068-N1071 PolarHBondContact O-N 2.7Å; N1071-T1073 VanDerWaalsContact C-N 3.3Å; N1071-T1073 PolarHBondContact O-N 3.4Å; N1071-N1074 PolarHBondContact O-N 2.81Å; N1071-Q1075 WeakPolarHBondContact O-CG 3.46Å; N1071-Q1075 PolarHBondContact O-N 3.49Å
1072Y83.7Confident84.1Confident141 Ų141105.9 Ų105.955%0.55351%0.514SS*.Hα-helixtrans-63.6-34.7174.6-82.7-59.8000112.5L1068 E1070 Q1075 L1076L1068-Y1072 HydrophobicContact CD2-CE2 3.95Å; L1068-Y1072 HydrophobicContact CG-CD2 4.27Å; L1068-Y1072 HydrophobicContact CG-CE2 3.95Å; L1068-Y1072 WeakPolarHBondContact O-CD2 3.46Å; L1068-Y1072 PolarHBondContact O-N 3.31Å; E1070-Y1072 PolarHBondContact O-N 3.19Å; Y1072-Q1075 PolarHBondContact O-N 2.76Å; Y1072-L1076 WeakPolarHBondContact O-CB 3.44Å; Y1072-L1076 PolarHBondContact O-N 3.38Å
1073T84.9Confident84.1Confident88 Ų88105.9 Ų105.954%0.5452%0.515SS..Hα-helixtrans-66.2-41.8175.8-550000111.1K1069 E1070 N1071 L1076 K1077K1069-T1073 WeakPolarHBondContact O-CB 3.31Å; K1069-T1073 PolarHBondContact O-N 3.39Å; K1069-T1073 PolarHBondContact O-OG1 3.5Å; E1070-T1073 WeakPolarHBondContact O-CB 3.15Å; E1070-T1073 PolarHBondContact O-N 2.75Å; N1071-T1073 VanDerWaalsContact C-N 3.3Å; N1071-T1073 PolarHBondContact O-N 3.4Å; T1073-L1076 PolarHBondContact O-N 2.8Å; T1073-K1077 PolarHBondContact O-N 3.44Å; T1073-K1077 VanDerWaalsContact O-N 3.15Å
1074N85.6Confident84Confident87 Ų87101.9 Ų101.947%0.46550%0.504SS..Hα-helixtrans-67.8-37.7175.8-69.4-33000112.5E1070 N1071 K1077 L1078E1070-N1074 PolarHBondContact O-N 2.78Å; E1070-N1074 PolarHBondContact O-ND2 2.74Å; N1071-N1074 PolarHBondContact O-N 2.81Å; N1074-K1077 PolarHBondContact O-N 3.18Å; N1074-L1078 PolarHBondContact O-N 3.22Å; N1074-L1078 VanDerWaalsContact O-N 3.13Å
1075Q80.1Confident84.1Confident122 Ų122101.4 Ų101.457%0.5751%0.505SS*.Hα-helixtrans-65.6-40.4173.5-76.3-177.3-18.800112.6N1071 Y1072 K1077 L1078 F1079N1071-Q1075 WeakPolarHBondContact O-CG 3.46Å; N1071-Q1075 PolarHBondContact O-N 3.49Å; Y1072-Q1075 PolarHBondContact O-N 2.76Å; Q1075-K1077 PolarHBondContact O-N 3.2Å; Q1075-L1078 PolarHBondContact O-N 3.02Å; Q1075-F1079 WeakPolarHBondContact O-CB 2.97Å; Q1075-F1079 PolarHBondContact O-N 3.5Å
1076L85Confident84.1Confident102 Ų102101.1 Ų101.153%0.53451%0.506SS..Hα-helixtrans-58-46.1173.6-95.1157.9000111.6Y1072 T1073 F1079 E1080Y1072-L1076 WeakPolarHBondContact O-CB 3.44Å; Y1072-L1076 PolarHBondContact O-N 3.38Å; T1073-L1076 PolarHBondContact O-N 2.8Å; L1076-F1079 WeakPolarHBondContact O-CB 3.26Å; L1076-F1079 PolarHBondContact O-N 3.17Å; L1076-F1079 VanDerWaalsContact O-N 3.14Å; L1076-E1080 WeakPolarHBondContact O-CG 3.41Å; L1076-E1080 PolarHBondContact O-N 3.25Å
1077K86.6Confident84.3Confident116 Ų116104.6 Ų104.650%0.50451%0.508SS..Hα-helixtrans-64.3-41.5178.8-171.4171.6-178.2-78.80113.1T1073 N1074 Q1075 F1079 E1080 E1081T1073-K1077 PolarHBondContact O-N 3.44Å; T1073-K1077 VanDerWaalsContact O-N 3.15Å; N1074-K1077 PolarHBondContact O-N 3.18Å; Q1075-K1077 PolarHBondContact O-N 3.2Å; K1077-F1079 VanDerWaalsContact C-N 3.26Å; K1077-F1079 PolarHBondContact O-N 2.98Å; K1077-E1080 PolarHBondContact O-N 3.22Å; K1077-E1081 IonicContact NZ-OE1 2.68Å; K1077-E1081 PolarHBondContact NZ-OE1 3.18Å; K1077-E1081 WeakPolarHBondContact O-CG 3.33Å; K1077-E1081 PolarHBondContact O-N 2.78Å
1078L82Confident84.5Confident112 Ų112104 Ų10459%0.58651%0.506SS*.Hα-helixtrans-64.4-32.3173.5-74.5168.2000112.2N1074 Q1075 S1082N1074-L1078 PolarHBondContact O-N 3.22Å; N1074-L1078 VanDerWaalsContact O-N 3.13Å; Q1075-L1078 PolarHBondContact O-N 3.02Å; L1078-S1082 PolarHBondContact O-N 2.67Å; L1078-S1082 PolarHBondContact O-OG 3.07Å; L1078-S1082 VanDerWaalsContact O-OG 3.13Å
1079F85.6Confident84.7Confident117 Ų117103.8 Ų103.851%0.51351%0.505SS..Hα-helixtrans-70.9-40.7174.7-174.4-107.8000111.9Q1075 L1076 K1077 S1082 Q1083Q1075-F1079 WeakPolarHBondContact O-CB 2.97Å; Q1075-F1079 PolarHBondContact O-N 3.5Å; L1076-F1079 WeakPolarHBondContact O-CB 3.26Å; L1076-F1079 PolarHBondContact O-N 3.17Å; L1076-F1079 VanDerWaalsContact O-N 3.14Å; K1077-F1079 VanDerWaalsContact C-N 3.26Å; K1077-F1079 PolarHBondContact O-N 2.98Å; F1079-S1082 WeakPolarHBondContact CA-OG 3.01Å; F1079-S1082 PolarHBondContact O-N 2.93Å; F1079-S1082 PolarHBondContact O-OG 3.35Å; F1079-Q1083 HydrophobicContact CE1-CG 4.32Å; F1079-Q1083 HydrophobicContact CZ-CG 4.39Å; F1079-Q1083 WeakPolarHBondContact O-CG 3.33Å; F1079-Q1083 PolarHBondContact O-N 3.13Å
1080E87.6Confident84.7Confident125 Ų125102.5 Ų102.558%0.58450%0.504SS*.Hα-helixtrans-61.4-44.6172.1-70171.9166.400111.9L1076 K1077 S1082 Q1083 Q1084L1076-E1080 WeakPolarHBondContact O-CG 3.41Å; L1076-E1080 PolarHBondContact O-N 3.25Å; K1077-E1080 PolarHBondContact O-N 3.22Å; E1080-S1082 PolarHBondContact O-N 2.88Å; E1080-Q1083 PolarHBondContact O-N 3.36Å; E1080-Q1084 PolarHBondContact O-N 2.97Å
1081E85.4Confident84.8Confident91 Ų91102.3 Ų102.343%0.42550%0.501SS..Hα-helixtrans-63.5-38.1176.9-73.4170.2-175.800112.6K1077 T1085K1077-E1081 IonicContact NZ-OE1 2.68Å; K1077-E1081 PolarHBondContact NZ-OE1 3.18Å; K1077-E1081 WeakPolarHBondContact O-CG 3.33Å; K1077-E1081 PolarHBondContact O-N 2.78Å; E1081-T1085 PolarHBondContact O-N 2.77Å; E1081-T1085 PolarHBondContact O-OG1 3.05Å
1082S79Confident84.7Confident49 Ų49103.7 Ų103.734%0.34350%0.504SS..Hα-helixtrans-72.7-37174.5610000113.2L1078 F1079 E1080 T1085 I1086L1078-S1082 PolarHBondContact O-N 2.67Å; L1078-S1082 PolarHBondContact O-OG 3.07Å; L1078-S1082 VanDerWaalsContact O-OG 3.13Å; F1079-S1082 WeakPolarHBondContact CA-OG 3.01Å; F1079-S1082 PolarHBondContact O-N 2.93Å; F1079-S1082 PolarHBondContact O-OG 3.35Å; E1080-S1082 PolarHBondContact O-N 2.88Å; S1082-T1085 PolarHBondContact O-N 3.34Å; S1082-I1086 VanDerWaalsContact O-CG1 3.32Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.27Å; S1082-I1086 PolarHBondContact O-N 3.49Å
1083Q85.4Confident84.6Confident111 Ų111101.8 Ų101.852%0.51950%0.503SS..Hα-helixtrans-63.8-40.1173.5-75.9-155.62.200112.6F1079 E1080 T1085 I1086 Y1087F1079-Q1083 HydrophobicContact CE1-CG 4.32Å; F1079-Q1083 HydrophobicContact CZ-CG 4.39Å; F1079-Q1083 WeakPolarHBondContact O-CG 3.33Å; F1079-Q1083 PolarHBondContact O-N 3.13Å; E1080-Q1083 PolarHBondContact O-N 3.36Å; Q1083-T1085 VanDerWaalsContact C-N 3.32Å; Q1083-T1085 PolarHBondContact O-N 3.2Å; Q1083-I1086 PolarHBondContact O-N 3.28Å; Q1083-Y1087 PolarHBondContact O-N 3.37Å
1084Q83.9Confident84.6Confident101 Ų101104.4 Ų104.447%0.47251%0.509SS..Hα-helixtrans-61.8-42.6174.2-177.2585400111.3E1080 I1086 Y1087 D1088E1080-Q1084 PolarHBondContact O-N 2.97Å; Q1084-I1086 PolarHBondContact O-N 3.38Å; Q1084-Y1087 WeakPolarHBondContact O-CB 3.39Å; Q1084-Y1087 PolarHBondContact O-N 3.06Å; Q1084-D1088 PolarHBondContact NE2-OD1 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.95Å; Q1084-D1088 PolarHBondContact O-N 3Å
1085T84.4Confident84.4Confident82 Ų82104.7 Ų104.750%0.50351%0.51SS..Hα-helixtrans-61.9-41.7176.9-52.80000111.9E1081 S1082 Q1083 D1088 L1089E1081-T1085 PolarHBondContact O-N 2.77Å; E1081-T1085 PolarHBondContact O-OG1 3.05Å; S1082-T1085 PolarHBondContact O-N 3.34Å; Q1083-T1085 VanDerWaalsContact C-N 3.32Å; Q1083-T1085 PolarHBondContact O-N 3.2Å; T1085-D1088 PolarHBondContact O-N 3.3Å; T1085-L1089 HydrophobicContact CG2-CD1 4.3Å; T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 3.26Å; T1085-L1089 VanDerWaalsContact O-N 3.08Å
1086I84.5Confident84.4Confident93 Ų93103.9 Ų103.948%0.47751%0.509SS..Hα-helixtrans-64.6-40175.7-69.6163.5000111.2S1082 Q1083 Q1084 L1089 N1090S1082-I1086 VanDerWaalsContact O-CG1 3.32Å; S1082-I1086 WeakPolarHBondContact O-CG1 3.27Å; S1082-I1086 PolarHBondContact O-N 3.49Å; Q1083-I1086 PolarHBondContact O-N 3.28Å; Q1084-I1086 PolarHBondContact O-N 3.38Å; I1086-L1089 PolarHBondContact O-N 2.86Å; I1086-N1090 WeakPolarHBondContact O-CB 3.5Å; I1086-N1090 VanDerWaalsContact O-CG 3.25Å; I1086-N1090 PolarHBondContact O-N 3.22Å; I1086-N1090 PolarHBondContact O-ND2 3.46Å
1087Y88.1Confident84.3Confident148 Ų148102.6 Ų102.658%0.5851%0.505SS*.Hα-helixtrans-61.5-45.5176.7178.3-93.1000112.3Q1083 Q1084 L1089 N1090 K1091Q1083-Y1087 PolarHBondContact O-N 3.37Å; Q1084-Y1087 WeakPolarHBondContact O-CB 3.39Å; Q1084-Y1087 PolarHBondContact O-N 3.06Å; Y1087-L1089 PolarHBondContact O-N 3.13Å; Y1087-N1090 PolarHBondContact O-N 2.92Å; Y1087-K1091 PolarHBondContact O-N 3.38Å; Y1087-K1091 VanDerWaalsContact O-N 3.08Å
1088D86.3Confident84.1Confident71 Ų71103.5 Ų103.538%0.3851%0.512SS..Hα-helixtrans-72.1-27.1179.9-68.2-41.6000113.2Q1084 T1085 Q1092Q1084-D1088 PolarHBondContact NE2-OD1 3.32Å; Q1084-D1088 PolarHBondContact NE2-OD2 2.95Å; Q1084-D1088 PolarHBondContact O-N 3Å; T1085-D1088 PolarHBondContact O-N 3.3Å; D1088-Q1092 PolarHBondContact O-N 2.82Å; D1088-Q1092 PolarHBondContact O-NE2 3.11Å
1089L86.1Confident84.2Confident94 Ų94105 Ų10549%0.49251%0.514SS..Hα-helixtrans-72-45.4169.7-74.1170.6000112T1085 I1086 Y1087 K1091 Q1092 L1093T1085-L1089 HydrophobicContact CG2-CD1 4.3Å; T1085-L1089 WeakPolarHBondContact O-CG 3.31Å; T1085-L1089 PolarHBondContact O-N 3.26Å; T1085-L1089 VanDerWaalsContact O-N 3.08Å; I1086-L1089 PolarHBondContact O-N 2.86Å; Y1087-L1089 PolarHBondContact O-N 3.13Å; L1089-K1091 PolarHBondContact O-N 3.16Å; L1089-Q1092 WeakPolarHBondContact O-CB 3.26Å; L1089-Q1092 PolarHBondContact O-N 3.04Å; L1089-L1093 PolarHBondContact O-N 2.93Å
1090N85.2Confident83.9Confident92 Ų92102.8 Ų102.849%0.49251%0.512SS..Hα-helixtrans-58.5-38.4176.5-75.6-16.8000111.8I1086 Y1087 Q1092 L1093 E1094I1086-N1090 WeakPolarHBondContact O-CB 3.5Å; I1086-N1090 VanDerWaalsContact O-CG 3.25Å; I1086-N1090 PolarHBondContact O-N 3.22Å; I1086-N1090 PolarHBondContact O-ND2 3.46Å; Y1087-N1090 PolarHBondContact O-N 2.92Å; N1090-Q1092 VanDerWaalsContact C-N 3.33Å; N1090-Q1092 PolarHBondContact O-N 3.24Å; N1090-L1093 PolarHBondContact O-N 3.49Å; N1090-E1094 PolarHBondContact O-N 3.3Å
1091K86.8Confident83.7Confident117 Ų117101.8 Ų101.851%0.50951%0.511SS..Hα-helixtrans-66.5-30.9175.7-169.3179.7177.5-173.80113.5Y1087 L1089 L1095Y1087-K1091 PolarHBondContact O-N 3.38Å; Y1087-K1091 VanDerWaalsContact O-N 3.08Å; L1089-K1091 PolarHBondContact O-N 3.16Å; K1091-L1095 PolarHBondContact O-N 2.86Å
1092Q83.6Confident83.6Confident118 Ų118105.4 Ų105.455%0.55152%0.521SS*.Hα-helixtrans-74.1-39.8172.3-73.5176.372.300111.5D1088 L1089 N1090 L1095 I1096D1088-Q1092 PolarHBondContact O-N 2.82Å; D1088-Q1092 PolarHBondContact O-NE2 3.11Å; L1089-Q1092 WeakPolarHBondContact O-CB 3.26Å; L1089-Q1092 PolarHBondContact O-N 3.04Å; N1090-Q1092 VanDerWaalsContact C-N 3.33Å; N1090-Q1092 PolarHBondContact O-N 3.24Å; Q1092-L1095 PolarHBondContact O-N 3.49Å; Q1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Q1092-I1096 PolarHBondContact O-N 3.42Å
1093L81.4Confident83.6Confident101 Ų101108.4 Ų108.453%0.52953%0.532SS..Hα-helixtrans-60.4-43.5172.8-72.8168.7000111.5L1089 N1090 L1095 I1096 T1097L1089-L1093 PolarHBondContact O-N 2.93Å; N1090-L1093 PolarHBondContact O-N 3.49Å; L1093-L1095 PolarHBondContact O-N 2.89Å; L1093-I1096 CarbonylContact O-C 3.56Å; L1093-I1096 PolarHBondContact O-N 3.35Å; L1093-I1096 VanDerWaalsContact O-N 3.1Å; L1093-T1097 WeakPolarHBondContact O-CB 3.29Å; L1093-T1097 PolarHBondContact O-N 3.05Å; L1093-T1097 PolarHBondContact O-OG1 2.91Å
1094E83.7Confident83.3Confident143 Ų143106.4 Ų106.467%0.66853%0.531SS*.Hα-helixtrans-58.3-43.8176.6-169.3171.6-145.100112.2N1090 T1097 E1098N1090-E1094 PolarHBondContact O-N 3.3Å; E1094-T1097 PolarHBondContact O-N 3.32Å; E1094-E1098 PolarHBondContact O-N 2.93Å
1095L82.8Confident83.3Confident93 Ų93107.1 Ų107.149%0.48753%0.532SS..Hα-helixtrans-66.4-33.3174.1-84.2163.8000113.8K1091 Q1092 L1093 K1099K1091-L1095 PolarHBondContact O-N 2.86Å; Q1092-L1095 PolarHBondContact O-N 3.49Å; L1093-L1095 PolarHBondContact O-N 2.89Å; L1095-K1099 WeakPolarHBondContact O-CG 3.35Å; L1095-K1099 PolarHBondContact O-N 3.36Å
1096I80.2Confident83Confident105 Ų105106.8 Ų106.854%0.53853%0.525SS..Hα-helixtrans-72.6-40.9174.6-69.6165.3000110Q1092 L1093 K1099 S1100Q1092-I1096 VanDerWaalsContact O-CG1 3.31Å; Q1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; Q1092-I1096 PolarHBondContact O-N 3.42Å; L1093-I1096 CarbonylContact O-C 3.56Å; L1093-I1096 PolarHBondContact O-N 3.35Å; L1093-I1096 VanDerWaalsContact O-N 3.1Å; I1096-K1099 PolarHBondContact O-N 3Å; I1096-S1100 WeakPolarHBondContact O-CB 3.22Å; I1096-S1100 PolarHBondContact O-N 3.08Å
1097T82.7Confident82.6Confident75 Ų75107.8 Ų107.846%0.4653%0.53SS..Hα-helixtrans-63.4-42.3175.4-59.90000111.4L1093 E1094 K1099 S1100 N1101L1093-T1097 WeakPolarHBondContact O-CB 3.29Å; L1093-T1097 PolarHBondContact O-N 3.05Å; L1093-T1097 PolarHBondContact O-OG1 2.91Å; E1094-T1097 PolarHBondContact O-N 3.32Å; T1097-K1099 PolarHBondContact O-N 2.77Å; T1097-S1100 PolarHBondContact O-N 2.84Å; T1097-N1101 WeakPolarHBondContact O-CB 3.26Å; T1097-N1101 PolarHBondContact O-N 3.08Å; T1097-N1101 PolarHBondContact O-ND2 3.16Å
1098E82.5Confident82.1Confident136 Ų136103.7 Ų103.764%0.63652%0.521SS*.Hα-helixtrans-61.7-43.9174.7-172.3178-152.300111.8E1094 R1102E1094-E1098 PolarHBondContact O-N 2.93Å; E1098-R1102 WeakPolarHBondContact O-CB 3.39Å; E1098-R1102 PolarHBondContact O-N 3.11Å
1099K83.7Confident81.8Confident144 Ų144105 Ų10563%0.62653%0.525SS*.Hα-helixtrans-62.5-43.3173.9-75.6177.7178.2-1780112.5L1095 I1096 T1097 R1102 L1103L1095-K1099 WeakPolarHBondContact O-CG 3.35Å; L1095-K1099 PolarHBondContact O-N 3.36Å; I1096-K1099 PolarHBondContact O-N 3Å; T1097-K1099 PolarHBondContact O-N 2.77Å; K1099-R1102 PolarHBondContact O-N 3.45Å; K1099-L1103 WeakPolarHBondContact O-CG 3.48Å; K1099-L1103 PolarHBondContact O-N 2.72Å
1100S79.3Confident81.5Confident69 Ų69108 Ų10848%0.48353%0.534SS..Hα-helixtrans-62.8-48.2178.3-170.20000111.3I1096 T1097 R1102 L1103 S1104I1096-S1100 WeakPolarHBondContact O-CB 3.22Å; I1096-S1100 PolarHBondContact O-N 3.08Å; T1097-S1100 PolarHBondContact O-N 2.84Å; S1100-R1102 VanDerWaalsContact C-N 3.3Å; S1100-R1102 PolarHBondContact O-N 3Å; S1100-L1103 PolarHBondContact O-N 3.38Å; S1100-S1104 WeakPolarHBondContact O-CB 3.48Å; S1100-S1104 PolarHBondContact O-N 2.84Å
1101N82.7Confident81Confident104 Ų104108.2 Ų108.256%0.55653%0.532SS*.Hα-helixtrans-60.4-38.6176.2-70.5-17.1000112T1097 K1105T1097-N1101 WeakPolarHBondContact O-CB 3.26Å; T1097-N1101 PolarHBondContact O-N 3.08Å; T1097-N1101 PolarHBondContact O-ND2 3.16Å; N1101-K1105 WeakPolarHBondContact O-CB 3.44Å; N1101-K1105 PolarHBondContact O-N 3.01Å
1102R84.2Confident80.6Confident168 Ų168106.3 Ų106.363%0.63453%0.53SS*.Hα-helixtrans-66.3-46.7174.7-178.6178.9164.4-157.7-16.5112E1098 K1099 S1100 K1105 E1106E1098-R1102 WeakPolarHBondContact O-CB 3.39Å; E1098-R1102 PolarHBondContact O-N 3.11Å; K1099-R1102 PolarHBondContact O-N 3.45Å; S1100-R1102 VanDerWaalsContact C-N 3.3Å; S1100-R1102 PolarHBondContact O-N 3Å; R1102-K1105 PolarHBondContact O-N 3.23Å; R1102-E1106 IonicContact CZ-OE1 3.77Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.82Å; R1102-E1106 IonicContact NH2-OE1 3.93Å; R1102-E1106 PolarHBondContact NH2-OE1 2.78Å; R1102-E1106 PolarHBondContact O-N 3.38Å
1103L78.3Confident80.5Confident112 Ų112105.2 Ų105.259%0.58653%0.531SS*.Hα-helixtrans-62.8-43.3177.6-75.2169.2000111.5K1099 S1100 K1105 E1106 L1107K1099-L1103 WeakPolarHBondContact O-CG 3.48Å; K1099-L1103 PolarHBondContact O-N 2.72Å; S1100-L1103 PolarHBondContact O-N 3.38Å; L1103-K1105 VanDerWaalsContact C-N 3.33Å; L1103-K1105 PolarHBondContact O-N 3.05Å; L1103-E1106 PolarHBondContact O-N 3.1Å; L1103-L1107 WeakPolarHBondContact O-CB 3.26Å; L1103-L1107 PolarHBondContact O-N 3.13Å
1104S79.3Confident80.1Confident69 Ų69105.7 Ų105.748%0.48353%0.534SS..Hα-helixtrans-59-41.3174.2178.60000112.1S1100 L1107 T1108S1100-S1104 WeakPolarHBondContact O-CB 3.48Å; S1100-S1104 PolarHBondContact O-N 2.84Å; S1104-L1107 PolarHBondContact O-N 2.84Å; S1104-T1108 WeakPolarHBondContact O-CG2 3.44Å; S1104-T1108 PolarHBondContact O-N 2.72Å; S1104-T1108 PolarHBondContact O-OG1 2.9Å; S1104-T1108 VanDerWaalsContact O-OG1 3.05Å
1105K83.7Confident79.6Confident116 Ų116102.9 Ų102.950%0.50452%0.523SS..Hα-helixtrans-65.5-44173.5-172.1172.2179.3-66.40112.8N1101 R1102 L1103 L1107 T1108 E1109N1101-K1105 WeakPolarHBondContact O-CB 3.44Å; N1101-K1105 PolarHBondContact O-N 3.01Å; R1102-K1105 PolarHBondContact O-N 3.23Å; L1103-K1105 VanDerWaalsContact C-N 3.33Å; L1103-K1105 PolarHBondContact O-N 3.05Å; K1105-L1107 PolarHBondContact O-N 3.37Å; K1105-T1108 WeakPolarHBondContact CA-OG1 3.37Å; K1105-T1108 PolarHBondContact O-N 3.39Å; K1105-T1108 PolarHBondContact O-OG1 3.47Å; K1105-T1108 VanDerWaalsContact O-OG1 3.05Å; K1105-E1109 IonicContact NZ-OE1 3.24Å; K1105-E1109 PolarHBondContact NZ-OE1 3.46Å; K1105-E1109 IonicContact NZ-OE2 2.65Å; K1105-E1109 WeakPolarHBondContact O-CB 3.27Å; K1105-E1109 WeakPolarHBondContact O-CG 3.29Å; K1105-E1109 PolarHBondContact O-N 3.28Å
1106E77.9Confident79.5Confident75 Ų75103.3 Ų103.335%0.3553%0.526SS..Hα-helixtrans-66.2-26.4176.1-73178.9-164.700112.5R1102 L1103 K1110R1102-E1106 IonicContact CZ-OE1 3.77Å; R1102-E1106 IonicContact NE-OE1 2.77Å; R1102-E1106 PolarHBondContact NE-OE1 2.82Å; R1102-E1106 IonicContact NH2-OE1 3.93Å; R1102-E1106 PolarHBondContact NH2-OE1 2.78Å; R1102-E1106 PolarHBondContact O-N 3.38Å; L1103-E1106 PolarHBondContact O-N 3.1Å; E1106-K1110 WeakPolarHBondContact O-CG 3.27Å; E1106-K1110 PolarHBondContact O-N 2.65Å
1107L76.7Confident79.3Confident113 Ų113102.4 Ų102.459%0.59253%0.526SS*.Hα-helixtrans-76.1-49.8175.1-152.9140000111L1103 S1104 K1105 E1109 K1110 E1111L1103-L1107 WeakPolarHBondContact O-CB 3.26Å; L1103-L1107 PolarHBondContact O-N 3.13Å; S1104-L1107 PolarHBondContact O-N 2.84Å; K1105-L1107 PolarHBondContact O-N 3.37Å; L1107-E1109 VanDerWaalsContact C-N 3.3Å; L1107-E1109 PolarHBondContact O-N 2.98Å; L1107-K1110 PolarHBondContact O-N 2.95Å; L1107-E1111 WeakPolarHBondContact O-CB 3.43Å; L1107-E1111 PolarHBondContact O-N 3.14Å
1108T77.5Confident78.7Confident62 Ų62102.5 Ų102.538%0.3852%0.523SS..Hα-helixtrans-62.6-31.6175.451.30000113.3S1104 K1105 T1112S1104-T1108 WeakPolarHBondContact O-CG2 3.44Å; S1104-T1108 PolarHBondContact O-N 2.72Å; S1104-T1108 PolarHBondContact O-OG1 2.9Å; S1104-T1108 VanDerWaalsContact O-OG1 3.05Å; K1105-T1108 WeakPolarHBondContact CA-OG1 3.37Å; K1105-T1108 PolarHBondContact O-N 3.39Å; K1105-T1108 PolarHBondContact O-OG1 3.47Å; K1105-T1108 VanDerWaalsContact O-OG1 3.05Å; T1108-T1112 WeakPolarHBondContact O-CB 3.45Å; T1108-T1112 WeakPolarHBondContact O-CG2 3.29Å; T1108-T1112 PolarHBondContact O-N 2.78Å; T1108-T1112 PolarHBondContact O-OG1 3.01Å
1109E80.4Confident78.3Confident98 Ų98101.2 Ų101.246%0.45852%0.517SS..Hα-helixtrans-68.3-35.8172.2-77.5179.8176.300112.6K1105 L1107 T1112 V1113K1105-E1109 IonicContact NZ-OE1 3.24Å; K1105-E1109 PolarHBondContact NZ-OE1 3.46Å; K1105-E1109 IonicContact NZ-OE2 2.65Å; K1105-E1109 WeakPolarHBondContact O-CB 3.27Å; K1105-E1109 WeakPolarHBondContact O-CG 3.29Å; K1105-E1109 PolarHBondContact O-N 3.28Å; L1107-E1109 VanDerWaalsContact C-N 3.3Å; L1107-E1109 PolarHBondContact O-N 2.98Å; E1109-T1112 PolarHBondContact O-OG1 2.98Å; E1109-V1113 WeakPolarHBondContact O-CG2 3.33Å; E1109-V1113 PolarHBondContact O-N 2.78Å
1110K79.7Confident77.8Confident159 Ų159100 Ų10069%0.69151%0.513SS*.Hα-helixtrans-72.5-40.6172.1-74.8176.9177.9178.90112.4E1106 L1107 V1113 L1114E1106-K1110 WeakPolarHBondContact O-CG 3.27Å; E1106-K1110 PolarHBondContact O-N 2.65Å; L1107-K1110 PolarHBondContact O-N 2.95Å; K1110-V1113 PolarHBondContact O-N 3.31Å; K1110-L1114 WeakPolarHBondContact O-CB 3.38Å; K1110-L1114 PolarHBondContact O-N 3.46Å
1111E74.3Confident77.5Confident95 Ų9599.5 Ų99.544%0.44451%0.51SS..Hα-helixtrans-62.9-43.8178.8-172.7174.9-154.400111.3L1107 V1113 L1114 N1115L1107-E1111 WeakPolarHBondContact O-CB 3.43Å; L1107-E1111 PolarHBondContact O-N 3.14Å; E1111-V1113 PolarHBondContact O-N 3.43Å; E1111-L1114 PolarHBondContact O-N 2.89Å; E1111-N1115 WeakPolarHBondContact O-CB 3.48Å; E1111-N1115 PolarHBondContact O-N 3.23Å; E1111-N1115 PolarHBondContact O-ND2 3.24Å; E1111-N1115 PolarHBondContact O-OD1 2.98Å
1112T78.8Confident77Confident78 Ų7897.8 Ų97.848%0.47950%0.501SS..Hα-helixtrans-65.4-35.917348.70000112.8T1108 E1109 N1116T1108-T1112 WeakPolarHBondContact O-CB 3.45Å; T1108-T1112 WeakPolarHBondContact O-CG2 3.29Å; T1108-T1112 PolarHBondContact O-N 2.78Å; T1108-T1112 PolarHBondContact O-OG1 3.01Å; E1109-T1112 PolarHBondContact O-OG1 2.98Å; T1112-N1116 WeakPolarHBondContact O-CB 3.41Å; T1112-N1116 VanDerWaalsContact O-CG 3.27Å; T1112-N1116 PolarHBondContact O-N 3.27Å; T1112-N1116 VanDerWaalsContact O-N 3.09Å; T1112-N1116 PolarHBondContact O-ND2 3.17Å
1113V80Confident76.9Confident94 Ų9494 Ų9457%0.5749%0.489SS*.Hα-helixtrans-65.7-44.9172.2170.60000111.3E1109 K1110 E1111 N1116 T1117E1109-V1113 WeakPolarHBondContact O-CG2 3.33Å; E1109-V1113 PolarHBondContact O-N 2.78Å; K1110-V1113 PolarHBondContact O-N 3.31Å; E1111-V1113 PolarHBondContact O-N 3.43Å; V1113-N1116 PolarHBondContact O-N 3.5Å; V1113-T1117 PolarHBondContact O-N 2.85Å; V1113-T1117 PolarHBondContact O-OG1 3.03Å
1114L73.3Confident76.9Confident112 Ų11292.7 Ų92.759%0.58649%0.486SS*.Hα-helixtrans-60.6-47.6178.4-176.663.8000111.3K1110 E1111 N1116 T1117 L1118K1110-L1114 WeakPolarHBondContact O-CB 3.38Å; K1110-L1114 PolarHBondContact O-N 3.46Å; E1111-L1114 PolarHBondContact O-N 2.89Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 2.88Å; L1114-T1117 WeakPolarHBondContact CA-OG1 3.17Å; L1114-T1117 CarbonylContact O-C 3.58Å; L1114-T1117 PolarHBondContact O-N 2.98Å; L1114-T1117 VanDerWaalsContact O-N 3.11Å; L1114-T1117 PolarHBondContact O-OG1 3.41Å; L1114-L1118 WeakPolarHBondContact O-CB 3.1Å; L1114-L1118 PolarHBondContact O-N 3.27Å
1115N74.5Confident76.8Confident84 Ų8493.1 Ų93.145%0.44949%0.485SS..Hα-helixtrans-64-37.3179.1-67.1-7000111.9E1111 L1118 E1119E1111-N1115 WeakPolarHBondContact O-CB 3.48Å; E1111-N1115 PolarHBondContact O-N 3.23Å; E1111-N1115 PolarHBondContact O-ND2 3.24Å; E1111-N1115 PolarHBondContact O-OD1 2.98Å; N1115-L1118 PolarHBondContact O-N 3.16Å; N1115-E1119 WeakPolarHBondContact O-CB 3.41Å; N1115-E1119 PolarHBondContact O-N 3Å
1116N79.2Confident76.5Confident102 Ų10291 Ų9155%0.54548%0.484SS..Hα-helixtrans-64.3-39.4172.4-76.1-53000112T1112 V1113 L1114 E1120T1112-N1116 WeakPolarHBondContact O-CB 3.41Å; T1112-N1116 VanDerWaalsContact O-CG 3.27Å; T1112-N1116 PolarHBondContact O-N 3.27Å; T1112-N1116 VanDerWaalsContact O-N 3.09Å; T1112-N1116 PolarHBondContact O-ND2 3.17Å; V1113-N1116 PolarHBondContact O-N 3.5Å; L1114-N1116 VanDerWaalsContact C-N 3.34Å; L1114-N1116 PolarHBondContact O-N 2.88Å; N1116-E1120 PolarHBondContact O-N 3.16Å
1117T76Confident76.5Confident86 Ų8690.1 Ų90.153%0.52849%0.487SS..Hα-helixtrans-71.8-30.6174.846.60000113.3V1113 L1114 E1120 S1121V1113-T1117 PolarHBondContact O-N 2.85Å; V1113-T1117 PolarHBondContact O-OG1 3.03Å; L1114-T1117 WeakPolarHBondContact CA-OG1 3.17Å; L1114-T1117 CarbonylContact O-C 3.58Å; L1114-T1117 PolarHBondContact O-N 2.98Å; L1114-T1117 VanDerWaalsContact O-N 3.11Å; L1114-T1117 PolarHBondContact O-OG1 3.41Å; T1117-E1120 PolarHBondContact O-N 2.7Å; T1117-S1121 PolarHBondContact O-N 2.93Å
1118L71.9Confident76.4Confident77 Ų7789.7 Ų89.740%0.40349%0.485SS..Hα-helixtrans-69.5-47.5173.9-172.761.9000110.5L1114 N1115 E1120 S1121 D1122L1114-L1118 WeakPolarHBondContact O-CB 3.1Å; L1114-L1118 PolarHBondContact O-N 3.27Å; N1115-L1118 PolarHBondContact O-N 3.16Å; L1118-E1120 PolarHBondContact O-N 3.21Å; L1118-S1121 CarbonylContact O-C 3.55Å; L1118-S1121 WeakPolarHBondContact O-CA 3.45Å; L1118-S1121 VanDerWaalsContact O-CB 3.28Å; L1118-S1121 WeakPolarHBondContact O-CB 3.43Å; L1118-S1121 PolarHBondContact O-N 3.31Å; L1118-D1122 VanDerWaalsContact O-CG 3.26Å; L1118-D1122 PolarHBondContact O-N 3.49Å
1119E73.7Confident76.3Confident108 Ų10890.4 Ų90.451%0.50549%0.486SS..Hα-helixtrans-60.3-29.3175.5-159.9-154.4114.500112.1N1115 K1123N1115-E1119 WeakPolarHBondContact O-CB 3.41Å; N1115-E1119 PolarHBondContact O-N 3Å; E1119-K1123 VanDerWaalsContact C-NZ 3.34Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 WeakPolarHBondContact O-CE 3.44Å; E1119-K1123 VanDerWaalsContact O-CG 3.22Å; E1119-K1123 WeakPolarHBondContact O-CG 3.44Å; E1119-K1123 PolarHBondContact O-N 2.67Å; E1119-K1123 PolarHBondContact O-NZ 3.07Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1119-K1123 IonicContact OE1-NZ 2.71Å; E1119-K1123 PolarHBondContact OE1-NZ 3.34Å
1120E73.2Confident76.3Confident118 Ų11889.1 Ų89.155%0.55149%0.485SS*.Hα-helixtrans-76.2-37.2172.7-155.970.4174.500112N1116 T1117 L1118 K1123 V1124N1116-E1120 PolarHBondContact O-N 3.16Å; T1117-E1120 PolarHBondContact O-N 2.7Å; L1118-E1120 PolarHBondContact O-N 3.21Å; E1120-K1123 PolarHBondContact O-N 3.43Å; E1120-K1123 IonicContact OE2-NZ 2.68Å; E1120-K1123 PolarHBondContact OE2-NZ 3.14Å; E1120-V1124 WeakPolarHBondContact O-CG2 3.39Å; E1120-V1124 PolarHBondContact O-N 2.87Å
1121S72.1Confident76.3Confident59 Ų5984.3 Ų84.341%0.41346%0.464SS..Hα-helixtrans-61.9-45.2170.9-172.60000111.6T1117 L1118 K1123 V1124 V1125T1117-S1121 PolarHBondContact O-N 2.93Å; L1118-S1121 CarbonylContact O-C 3.55Å; L1118-S1121 WeakPolarHBondContact O-CA 3.45Å; L1118-S1121 VanDerWaalsContact O-CB 3.28Å; L1118-S1121 WeakPolarHBondContact O-CB 3.43Å; L1118-S1121 PolarHBondContact O-N 3.31Å; S1121-K1123 VanDerWaalsContact C-N 3.3Å; S1121-K1123 PolarHBondContact O-N 3.36Å; S1121-V1124 CarbonylContact O-C 3.55Å; S1121-V1124 WeakPolarHBondContact O-CA 2.84Å; S1121-V1124 WeakPolarHBondContact O-CB 3.31Å; S1121-V1124 PolarHBondContact O-N 3.36Å; S1121-V1125 WeakPolarHBondContact O-CG2 3.4Å; S1121-V1125 PolarHBondContact O-N 3.33Å
1122D73.1Confident76.4Confident69 Ų6986.6 Ų86.637%0.36947%0.47SS..Hα-helixtrans-64.9-33-179.2-64.7-26.3000112.3L1118 S1126L1118-D1122 VanDerWaalsContact O-CG 3.26Å; L1118-D1122 PolarHBondContact O-N 3.49Å; D1122-S1126 WeakPolarHBondContact O-CB 3.31Å; D1122-S1126 PolarHBondContact O-N 3.12Å; D1122-S1126 PolarHBondContact O-OG 3.25Å
1123K81.3Confident76.3Confident89 Ų8988.1 Ų88.139%0.38747%0.471SS..Hα-helixtrans-65-39.6169.6-69.6170.4-156.6106.80111.7E1119 E1120 S1121 S1127E1119-K1123 VanDerWaalsContact C-NZ 3.34Å; E1119-K1123 WeakPolarHBondContact O-CD 3.49Å; E1119-K1123 WeakPolarHBondContact O-CE 3.44Å; E1119-K1123 VanDerWaalsContact O-CG 3.22Å; E1119-K1123 WeakPolarHBondContact O-CG 3.44Å; E1119-K1123 PolarHBondContact O-N 2.67Å; E1119-K1123 PolarHBondContact O-NZ 3.07Å; E1119-K1123 WeakPolarHBondContact OE1-CE 3.45Å; E1119-K1123 IonicContact OE1-NZ 2.71Å; E1119-K1123 PolarHBondContact OE1-NZ 3.34Å; E1120-K1123 PolarHBondContact O-N 3.43Å; E1120-K1123 IonicContact OE2-NZ 2.68Å; E1120-K1123 PolarHBondContact OE2-NZ 3.14Å; S1121-K1123 VanDerWaalsContact C-N 3.3Å; S1121-K1123 PolarHBondContact O-N 3.36Å; K1123-S1127 VanDerWaalsContact O-CB 3.32Å; K1123-S1127 WeakPolarHBondContact O-CB 3.48Å; K1123-S1127 PolarHBondContact O-N 3.45Å
1124V79.1Confident76.4Confident84 Ų8487.3 Ų87.351%0.50946%0.462SS..Hα-helixtrans-68.8-45.1175.6173.80000111E1120 S1121 S1127 L1128E1120-V1124 WeakPolarHBondContact O-CG2 3.39Å; E1120-V1124 PolarHBondContact O-N 2.87Å; S1121-V1124 CarbonylContact O-C 3.55Å; S1121-V1124 WeakPolarHBondContact O-CA 2.84Å; S1121-V1124 WeakPolarHBondContact O-CB 3.31Å; S1121-V1124 PolarHBondContact O-N 3.36Å; V1124-S1127 CarbonylContact O-C 3.58Å; V1124-S1127 WeakPolarHBondContact O-CB 3.45Å; V1124-S1127 PolarHBondContact O-N 2.79Å; V1124-L1128 HydrophobicContact CG1-CD1 4.05Å; V1124-L1128 WeakPolarHBondContact O-CG 3.33Å; V1124-L1128 PolarHBondContact O-N 2.83Å
1125V76.3Confident76.6Confident78 Ų7887.5 Ų87.547%0.47346%0.463SS..Hα-helixtrans-60.8-45.8175.3172.70000110.7S1121 S1127 L1128 N1129S1121-V1125 WeakPolarHBondContact O-CG2 3.4Å; S1121-V1125 PolarHBondContact O-N 3.33Å; V1125-S1127 VanDerWaalsContact C-N 3.31Å; V1125-S1127 PolarHBondContact O-N 3.41Å; V1125-L1128 CarbonylContact O-C 3.54Å; V1125-L1128 WeakPolarHBondContact O-CA 3.22Å; V1125-L1128 PolarHBondContact O-N 2.83Å; V1125-N1129 PolarHBondContact O-N 3.24Å
1126S77Confident76.7Confident70 Ų7087.4 Ų87.449%0.4946%0.459SS..Hα-helixtrans-58.7-42.7173.9-61.60000111.9D1122 L1128 N1129 T1130D1122-S1126 WeakPolarHBondContact O-CB 3.31Å; D1122-S1126 PolarHBondContact O-N 3.12Å; D1122-S1126 PolarHBondContact O-OG 3.25Å; S1126-L1128 VanDerWaalsContact C-N 3.29Å; S1126-L1128 PolarHBondContact O-N 3.46Å; S1126-N1129 PolarHBondContact O-N 3.38Å; S1126-T1130 WeakPolarHBondContact O-CB 3.44Å; S1126-T1130 PolarHBondContact O-N 3.31Å; S1126-T1130 PolarHBondContact O-OG1 3.37Å
1127S78.3Confident76.8Confident58 Ų5886 Ų8641%0.40646%0.458SS..Hα-helixtrans-67.6-27.4175.6-163.20000113K1123 V1124 V1125 K1131K1123-S1127 VanDerWaalsContact O-CB 3.32Å; K1123-S1127 WeakPolarHBondContact O-CB 3.48Å; K1123-S1127 PolarHBondContact O-N 3.45Å; V1124-S1127 CarbonylContact O-C 3.58Å; V1124-S1127 WeakPolarHBondContact O-CB 3.45Å; V1124-S1127 PolarHBondContact O-N 2.79Å; V1125-S1127 VanDerWaalsContact C-N 3.31Å; V1125-S1127 PolarHBondContact O-N 3.41Å; S1127-K1131 VanDerWaalsContact O-CG 3.28Å; S1127-K1131 WeakPolarHBondContact O-CG 3.5Å; S1127-K1131 PolarHBondContact O-NZ 3.13Å; S1127-K1131 PolarHBondContact OG-NZ 3.39Å
1128L75.6Confident77Confident104 Ų10485.4 Ų85.455%0.54545%0.449SS..Hα-helixtrans-79.6-42.6173.9-73.7169.1000111.4V1124 V1125 S1126 T1130 K1131 Y1132V1124-L1128 HydrophobicContact CG1-CD1 4.05Å; V1124-L1128 WeakPolarHBondContact O-CG 3.33Å; V1124-L1128 PolarHBondContact O-N 2.83Å; V1125-L1128 CarbonylContact O-C 3.54Å; V1125-L1128 WeakPolarHBondContact O-CA 3.22Å; V1125-L1128 PolarHBondContact O-N 2.83Å; S1126-L1128 VanDerWaalsContact C-N 3.29Å; S1126-L1128 PolarHBondContact O-N 3.46Å; L1128-T1130 PolarHBondContact O-N 2.81Å; L1128-K1131 CarbonylContact O-C 3.58Å; L1128-K1131 WeakPolarHBondContact O-CA 3.24Å; L1128-K1131 WeakPolarHBondContact O-CB 3.48Å; L1128-K1131 PolarHBondContact O-N 2.8Å; L1128-K1131 VanDerWaalsContact O-N 3.07Å; L1128-Y1132 PolarHBondContact O-N 3.05Å
1129N74.9Confident77.2Confident77 Ų7786.3 Ų86.341%0.41245%0.453SS..Hα-helixtrans-63.2-41.9176.5-169.269.3000111.6V1125 S1126 K1131 Y1132 E1133V1125-N1129 PolarHBondContact O-N 3.24Å; S1126-N1129 PolarHBondContact O-N 3.38Å; N1129-K1131 PolarHBondContact O-N 2.99Å; N1129-Y1132 WeakPolarHBondContact O-CB 3.41Å; N1129-Y1132 PolarHBondContact O-N 3.44Å; N1129-E1133 PolarHBondContact ND2-OE1 3.41Å; N1129-E1133 PolarHBondContact O-N 3.33Å
1130T79.2Confident77.5Confident71 Ų7186.6 Ų86.644%0.43646%0.455SS..Hα-helixtrans-59.1-35.6173-50.10000111.9S1126 L1128 Q1134S1126-T1130 WeakPolarHBondContact O-CB 3.44Å; S1126-T1130 PolarHBondContact O-N 3.31Å; S1126-T1130 PolarHBondContact O-OG1 3.37Å; L1128-T1130 PolarHBondContact O-N 2.81Å; T1130-Q1134 WeakPolarHBondContact O-CB 3.28Å; T1130-Q1134 VanDerWaalsContact O-CG 3.25Å; T1130-Q1134 WeakPolarHBondContact O-CG 3.27Å; T1130-Q1134 PolarHBondContact O-N 2.91Å; T1130-Q1134 VanDerWaalsContact O-N 3.15Å
1131K81.4Confident78.1Confident57 Ų5785.1 Ų85.125%0.24845%0.446CS..Hα-helixtrans-75-33.5174.9-70.4177.4-161.887.10112.3S1127 L1128 N1129 Q1134 L1135S1127-K1131 VanDerWaalsContact O-CG 3.28Å; S1127-K1131 WeakPolarHBondContact O-CG 3.5Å; S1127-K1131 PolarHBondContact O-NZ 3.13Å; S1127-K1131 PolarHBondContact OG-NZ 3.39Å; L1128-K1131 CarbonylContact O-C 3.58Å; L1128-K1131 WeakPolarHBondContact O-CA 3.24Å; L1128-K1131 WeakPolarHBondContact O-CB 3.48Å; L1128-K1131 PolarHBondContact O-N 2.8Å; L1128-K1131 VanDerWaalsContact O-N 3.07Å; N1129-K1131 PolarHBondContact O-N 2.99Å; K1131-Q1134 PolarHBondContact O-N 3.13Å; K1131-L1135 WeakPolarHBondContact O-CB 3.37Å; K1131-L1135 WeakPolarHBondContact O-CG 3.31Å; K1131-L1135 PolarHBondContact O-N 2.72Å
1132Y74.9Confident78.5Confident143 Ų14386 Ų8656%0.56145%0.449SS*.Hα-helixtrans-64.5-48.9174.8177.8-96.4000110.8L1128 N1129 Q1134 L1135 Q1136L1128-Y1132 PolarHBondContact O-N 3.05Å; N1129-Y1132 WeakPolarHBondContact O-CB 3.41Å; N1129-Y1132 PolarHBondContact O-N 3.44Å; Y1132-Q1134 VanDerWaalsContact C-N 3.34Å; Y1132-Q1134 PolarHBondContact O-N 3.39Å; Y1132-L1135 PolarHBondContact O-N 2.93Å; Y1132-Q1136 VanDerWaalsContact CE1-OE1 3.3Å; Y1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; Y1132-Q1136 PolarHBondContact O-N 3.07Å
1133E77.1Confident78.7Confident110 Ų11088 Ų8851%0.51446%0.456SS..Hα-helixtrans-60.6-40.5174.5-71.1174.3-165.700112.2N1129 Q1136 S1137N1129-E1133 PolarHBondContact ND2-OE1 3.41Å; N1129-E1133 PolarHBondContact O-N 3.33Å; E1133-Q1136 PolarHBondContact O-N 2.77Å; E1133-S1137 VanDerWaalsContact O-CB 3.31Å; E1133-S1137 WeakPolarHBondContact O-CB 3.3Å; E1133-S1137 PolarHBondContact O-N 3.18Å
1134Q81.7Confident78.9Confident78 Ų7888.9 Ų88.936%0.36447%0.465SS..Hα-helixtrans-63.1-44.3173.3-77.3175.7-3.900112.5T1130 K1131 Y1132 S1137 E1138T1130-Q1134 WeakPolarHBondContact O-CB 3.28Å; T1130-Q1134 VanDerWaalsContact O-CG 3.25Å; T1130-Q1134 WeakPolarHBondContact O-CG 3.27Å; T1130-Q1134 PolarHBondContact O-N 2.91Å; T1130-Q1134 VanDerWaalsContact O-N 3.15Å; K1131-Q1134 PolarHBondContact O-N 3.13Å; Y1132-Q1134 VanDerWaalsContact C-N 3.34Å; Y1132-Q1134 PolarHBondContact O-N 3.39Å; Q1134-S1137 PolarHBondContact O-N 2.82Å; Q1134-E1138 PolarHBondContact O-N 2.83Å
1135L78.7Confident79Confident116 Ų11690 Ų9061%0.60747%0.465SS*.Hα-helixtrans-66.5-36.3176.1-85.2161.4000112.3K1131 Y1132 L1139K1131-L1135 WeakPolarHBondContact O-CB 3.37Å; K1131-L1135 WeakPolarHBondContact O-CG 3.31Å; K1131-L1135 PolarHBondContact O-N 2.72Å; Y1132-L1135 PolarHBondContact O-N 2.93Å; L1135-L1139 WeakPolarHBondContact O-CB 3.5Å; L1135-L1139 PolarHBondContact O-N 3.25Å
1136Q76.4Confident79.3Confident82 Ų8291.3 Ų91.338%0.38347%0.465SS..Hα-helixtrans-70.1-38176.7-169.4171.89.900111.5Y1132 E1133 L1139 Q1140Y1132-Q1136 VanDerWaalsContact CE1-OE1 3.3Å; Y1132-Q1136 WeakPolarHBondContact O-CB 3.4Å; Y1132-Q1136 PolarHBondContact O-N 3.07Å; E1133-Q1136 PolarHBondContact O-N 2.77Å; Q1136-L1139 PolarHBondContact O-N 3.42Å; Q1136-Q1140 WeakPolarHBondContact O-CB 3.44Å; Q1136-Q1140 WeakPolarHBondContact O-CG 3.25Å; Q1136-Q1140 PolarHBondContact O-N 2.87Å
1137S80.8Confident79.5Confident73 Ų7390.3 Ų90.351%0.5146%0.461SS..Hα-helixtrans-66.9-45.4173.9-173.90000112.2E1133 Q1134 L1139 Q1140 K1141E1133-S1137 VanDerWaalsContact O-CB 3.31Å; E1133-S1137 WeakPolarHBondContact O-CB 3.3Å; E1133-S1137 PolarHBondContact O-N 3.18Å; Q1134-S1137 PolarHBondContact O-N 2.82Å; S1137-L1139 VanDerWaalsContact C-N 3.34Å; S1137-L1139 PolarHBondContact O-N 3.44Å; S1137-Q1140 PolarHBondContact O-N 2.76Å; S1137-K1141 WeakPolarHBondContact O-CB 3.32Å; S1137-K1141 PolarHBondContact O-N 2.75Å
1138E80.6Confident79.8Confident73 Ų7391.6 Ų91.634%0.34146%0.464SS..Hα-helixtrans-66.1-34172.7-81.1-66.9152.100112.4Q1134 K1141 V1142Q1134-E1138 PolarHBondContact O-N 2.83Å; E1138-K1141 PolarHBondContact O-N 3.5Å; E1138-K1141 IonicContact OE1-NZ 2.65Å; E1138-K1141 PolarHBondContact OE1-NZ 3.27Å; E1138-K1141 IonicContact OE2-NZ 2.61Å; E1138-K1141 PolarHBondContact OE2-NZ 2.97Å; E1138-V1142 WeakPolarHBondContact O-CB 3.48Å; E1138-V1142 VanDerWaalsContact O-CG2 3.32Å; E1138-V1142 WeakPolarHBondContact O-CG2 3.39Å; E1138-V1142 PolarHBondContact O-N 2.86Å
1139L76.7Confident80.2Confident95 Ų9591 Ų9150%0.49746%0.459SS..Hα-helixtrans-64.7-46.4172.6178.961.6000111.7L1135 Q1136 S1137 K1141 V1142 Q1143L1135-L1139 WeakPolarHBondContact O-CB 3.5Å; L1135-L1139 PolarHBondContact O-N 3.25Å; Q1136-L1139 PolarHBondContact O-N 3.42Å; S1137-L1139 VanDerWaalsContact C-N 3.34Å; S1137-L1139 PolarHBondContact O-N 3.44Å; L1139-K1141 VanDerWaalsContact C-N 3.3Å; L1139-K1141 PolarHBondContact O-N 2.74Å; L1139-V1142 PolarHBondContact O-N 3.37Å; L1139-Q1143 HydrophobicContact CD1-CG 4.27Å; L1139-Q1143 WeakPolarHBondContact O-CB 3.19Å; L1139-Q1143 VanDerWaalsContact O-CG 3.23Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; L1139-Q1143 PolarHBondContact O-N 3.43Å
1140Q79.7Confident80.5Confident115 Ų11591.8 Ų91.854%0.53746%0.463SS..Hα-helixtrans-60.6-40.1174.6-77177.1-9.100111.7Q1136 S1137 Q1143 L1144Q1136-Q1140 WeakPolarHBondContact O-CB 3.44Å; Q1136-Q1140 WeakPolarHBondContact O-CG 3.25Å; Q1136-Q1140 PolarHBondContact O-N 2.87Å; S1137-Q1140 PolarHBondContact O-N 2.76Å; Q1140-Q1143 PolarHBondContact O-N 2.82Å; Q1140-L1144 WeakPolarHBondContact O-CB 3.41Å; Q1140-L1144 PolarHBondContact O-N 3.01Å
1141K84.2Confident80.5Confident86 Ų8692.8 Ų92.837%0.37446%0.463SS..Hα-helixtrans-64.7-46.2175.2170.3166.6150.7-96.40112.2S1137 E1138 L1139 Q1143 L1144 E1145S1137-K1141 WeakPolarHBondContact O-CB 3.32Å; S1137-K1141 PolarHBondContact O-N 2.75Å; E1138-K1141 PolarHBondContact O-N 3.5Å; E1138-K1141 IonicContact OE1-NZ 2.65Å; E1138-K1141 PolarHBondContact OE1-NZ 3.27Å; E1138-K1141 IonicContact OE2-NZ 2.61Å; E1138-K1141 PolarHBondContact OE2-NZ 2.97Å; L1139-K1141 VanDerWaalsContact C-N 3.3Å; L1139-K1141 PolarHBondContact O-N 2.74Å; K1141-Q1143 VanDerWaalsContact C-N 3.34Å; K1141-Q1143 PolarHBondContact O-N 3.34Å; K1141-L1144 PolarHBondContact O-N 3.31Å; K1141-E1145 WeakPolarHBondContact CE-OE1 3.24Å; K1141-E1145 WeakPolarHBondContact CG-OE1 3.43Å; K1141-E1145 WeakPolarHBondContact O-CB 3.46Å; K1141-E1145 WeakPolarHBondContact O-CG 3.45Å; K1141-E1145 PolarHBondContact O-N 2.97Å
1142V81.7Confident80.7Confident77 Ų7795.4 Ų95.447%0.46748%0.479SS..Hα-helixtrans-65.6-36.5175.4170.10000111.6E1138 L1139 E1145 H1146E1138-V1142 WeakPolarHBondContact O-CB 3.48Å; E1138-V1142 VanDerWaalsContact O-CG2 3.32Å; E1138-V1142 WeakPolarHBondContact O-CG2 3.39Å; E1138-V1142 PolarHBondContact O-N 2.86Å; L1139-V1142 PolarHBondContact O-N 3.37Å; V1142-E1145 PolarHBondContact O-N 3.36Å; V1142-H1146 VanDerWaalsContact O-CB 3.25Å; V1142-H1146 WeakPolarHBondContact O-CB 3.18Å; V1142-H1146 PolarHBondContact O-N 3.47Å
1143Q77.6Confident81.1Confident111 Ų11194.1 Ų94.152%0.51947%0.474SS..Hα-helixtrans-64.2-41.4172.6-75.8171.2-16.300111.7L1139 Q1140 K1141 H1146 A1147L1139-Q1143 HydrophobicContact CD1-CG 4.27Å; L1139-Q1143 WeakPolarHBondContact O-CB 3.19Å; L1139-Q1143 VanDerWaalsContact O-CG 3.23Å; L1139-Q1143 WeakPolarHBondContact O-CG 3.37Å; L1139-Q1143 PolarHBondContact O-N 3.43Å; Q1140-Q1143 PolarHBondContact O-N 2.82Å; K1141-Q1143 VanDerWaalsContact C-N 3.34Å; K1141-Q1143 PolarHBondContact O-N 3.34Å; Q1143-H1146 PolarHBondContact O-N 3.49Å; Q1143-A1147 VanDerWaalsContact O-CB 3.27Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.26Å; Q1143-A1147 PolarHBondContact O-N 2.96Å
1144L84.5Confident81.3Confident108 Ų10894.3 Ų94.357%0.56547%0.473SS*.Hα-helixtrans-68.4-41.6175.6-178.261.4000112Q1140 K1141 A1147 N1148Q1140-L1144 WeakPolarHBondContact O-CB 3.41Å; Q1140-L1144 PolarHBondContact O-N 3.01Å; K1141-L1144 PolarHBondContact O-N 3.31Å; L1144-A1147 PolarHBondContact O-N 2.76Å; L1144-N1148 VanDerWaalsContact O-CB 3.29Å; L1144-N1148 WeakPolarHBondContact O-CB 3.22Å; L1144-N1148 PolarHBondContact O-N 3.37Å; L1144-N1148 PolarHBondContact O-ND2 2.84Å
1145E82.3Confident81.4Confident109 Ų10993.5 Ų93.551%0.50947%0.474SS..Hα-helixtrans-62.7-41.4173.4-74.8175.8-160.300111.4K1141 V1142 N1148 M1149K1141-E1145 WeakPolarHBondContact CE-OE1 3.24Å; K1141-E1145 WeakPolarHBondContact CG-OE1 3.43Å; K1141-E1145 WeakPolarHBondContact O-CB 3.46Å; K1141-E1145 WeakPolarHBondContact O-CG 3.45Å; K1141-E1145 PolarHBondContact O-N 2.97Å; V1142-E1145 PolarHBondContact O-N 3.36Å; E1145-N1148 PolarHBondContact O-N 2.79Å; E1145-M1149 WeakPolarHBondContact O-CB 3.05Å; E1145-M1149 PolarHBondContact O-N 3.05Å
1146H83.1Confident81.8Confident104 Ų10491.1 Ų91.148%0.48146%0.459SS..Hα-helixtrans-68-42.7175.2-176.1-127.9000112.5V1142 Q1143 N1148 M1149 L1150V1142-H1146 VanDerWaalsContact O-CB 3.25Å; V1142-H1146 WeakPolarHBondContact O-CB 3.18Å; V1142-H1146 PolarHBondContact O-N 3.47Å; Q1143-H1146 PolarHBondContact O-N 3.49Å; H1146-N1148 VanDerWaalsContact C-N 3.35Å; H1146-N1148 PolarHBondContact O-N 2.85Å; H1146-M1149 PolarHBondContact O-N 3.43Å; H1146-M1149 VanDerWaalsContact O-N 3.12Å; H1146-L1150 WeakPolarHBondContact O-CB 3.31Å; H1146-L1150 WeakPolarHBondContact O-CG 3.45Å; H1146-L1150 PolarHBondContact O-N 3.33Å
1147A79.5Confident81.9Confident50 Ų5093.5 Ų93.541%0.41347%0.465SS..Hα-helixtrans-61.4-42.8174.200000111.5Q1143 L1144 M1149 L1150 E1151Q1143-A1147 VanDerWaalsContact O-CB 3.27Å; Q1143-A1147 WeakPolarHBondContact O-CB 3.26Å; Q1143-A1147 PolarHBondContact O-N 2.96Å; L1144-A1147 PolarHBondContact O-N 2.76Å; A1147-M1149 VanDerWaalsContact C-N 3.34Å; A1147-M1149 PolarHBondContact O-N 3.36Å; A1147-L1150 PolarHBondContact O-N 2.9Å; A1147-E1151 WeakPolarHBondContact O-CB 3.27Å; A1147-E1151 PolarHBondContact O-N 2.87Å
1148N85.3Confident82Confident85 Ų8593.1 Ų93.146%0.45546%0.46SS..Hα-helixtrans-63.7-36.7172.3-74-35.9000112L1144 E1145 H1146 N1152L1144-N1148 VanDerWaalsContact O-CB 3.29Å; L1144-N1148 WeakPolarHBondContact O-CB 3.22Å; L1144-N1148 PolarHBondContact O-N 3.37Å; L1144-N1148 PolarHBondContact O-ND2 2.84Å; E1145-N1148 PolarHBondContact O-N 2.79Å; H1146-N1148 VanDerWaalsContact C-N 3.35Å; H1146-N1148 PolarHBondContact O-N 2.85Å; N1148-N1152 VanDerWaalsContact O-CB 3.27Å; N1148-N1152 WeakPolarHBondContact O-CB 3.27Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.12Å; N1148-N1152 PolarHBondContact O-ND2 3.42Å
1149M84.4Confident82.2Confident91 Ų9193.7 Ų93.745%0.44847%0.465SS..Hα-helixtrans-68.5-41.8175.6-144.2-153.4-35.800111.7E1145 H1146 A1147 N1152 Y1153E1145-M1149 WeakPolarHBondContact O-CB 3.05Å; E1145-M1149 PolarHBondContact O-N 3.05Å; H1146-M1149 PolarHBondContact O-N 3.43Å; H1146-M1149 VanDerWaalsContact O-N 3.12Å; A1147-M1149 VanDerWaalsContact C-N 3.34Å; A1147-M1149 PolarHBondContact O-N 3.36Å; M1149-N1152 PolarHBondContact O-N 2.71Å; M1149-Y1153 HydrophobicContact CG-CD2 4.33Å; M1149-Y1153 HydrophobicContact CG-CE2 3.91Å; M1149-Y1153 WeakPolarHBondContact O-CD2 3.26Å; M1149-Y1153 PolarHBondContact O-N 3.37Å; M1149-Y1153 HydrophobicContact SD-CD2 4.3Å; M1149-Y1153 HydrophobicContact SD-CE2 3.41Å; M1149-Y1153 WeakPolarHBondContact SD-CE2 3.37Å
1150L79.8Confident82.6Confident94 Ų9493.8 Ų93.849%0.49246%0.463SS..Hα-helixtrans-63.8-44.2175.3-75.2173.5000111.6H1146 A1147 N1152 Y1153 K1154H1146-L1150 WeakPolarHBondContact O-CB 3.31Å; H1146-L1150 WeakPolarHBondContact O-CG 3.45Å; H1146-L1150 PolarHBondContact O-N 3.33Å; A1147-L1150 PolarHBondContact O-N 2.9Å; L1150-N1152 VanDerWaalsContact C-N 3.34Å; L1150-Y1153 PolarHBondContact O-N 2.86Å; L1150-K1154 WeakPolarHBondContact O-CB 3.28Å; L1150-K1154 PolarHBondContact O-N 2.85Å
1151E80Confident82.6Confident92 Ų9293.7 Ų93.743%0.4347%0.466SS..Hα-helixtrans-69.6-32.1177.4-164.359.3-145.100111.7A1147 K1154 T1155A1147-E1151 WeakPolarHBondContact O-CB 3.27Å; A1147-E1151 PolarHBondContact O-N 2.87Å; E1151-K1154 IonicContact OE1-NZ 3.89Å; E1151-K1154 PolarHBondContact OE1-NZ 2.97Å; E1151-K1154 IonicContact OE2-NZ 2.56Å; E1151-K1154 PolarHBondContact OE2-NZ 3.32Å; E1151-T1155 VanDerWaalsContact O-CB 3.23Å; E1151-T1155 WeakPolarHBondContact O-CB 3.35Å; E1151-T1155 PolarHBondContact O-N 3.43Å; E1151-T1155 PolarHBondContact O-OG1 3.42Å
1152N85.1Confident82.6Confident111 Ų11193.1 Ų93.159%0.59447%0.467SS*.Hα-helixtrans-66.6-42.7169.5-83.4-57.1000112.4N1148 M1149 L1150 T1155 K1156N1148-N1152 VanDerWaalsContact O-CB 3.27Å; N1148-N1152 WeakPolarHBondContact O-CB 3.27Å; N1148-N1152 VanDerWaalsContact O-CG 3.3Å; N1148-N1152 PolarHBondContact O-N 3.12Å; N1148-N1152 PolarHBondContact O-ND2 3.42Å; M1149-N1152 PolarHBondContact O-N 2.71Å; L1150-N1152 VanDerWaalsContact C-N 3.34Å; N1152-T1155 PolarHBondContact O-N 3.38Å; N1152-K1156 WeakPolarHBondContact O-CB 3.45Å; N1152-K1156 PolarHBondContact O-N 2.75Å
1153Y83.1Confident82.7Confident116 Ų11693.8 Ų93.846%0.45547%0.468SS..Hα-helixtrans-68.8-40175.1-75.8-45.6000112.3M1149 L1150 K1156 Y1157M1149-Y1153 HydrophobicContact CG-CD2 4.33Å; M1149-Y1153 HydrophobicContact CG-CE2 3.91Å; M1149-Y1153 WeakPolarHBondContact O-CD2 3.26Å; M1149-Y1153 PolarHBondContact O-N 3.37Å; M1149-Y1153 HydrophobicContact SD-CD2 4.3Å; M1149-Y1153 HydrophobicContact SD-CE2 3.41Å; M1149-Y1153 WeakPolarHBondContact SD-CE2 3.37Å; L1150-Y1153 PolarHBondContact O-N 2.86Å; Y1153-K1156 PolarHBondContact O-N 3.42Å; Y1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; Y1153-Y1157 WeakPolarHBondContact O-CD2 3.37Å; Y1153-Y1157 PolarHBondContact O-N 2.94Å
1154K82.5Confident82.9Confident114 Ų11493.6 Ų93.650%0.49647%0.47SS..Hα-helixtrans-58.1-48.9171.2173.3163.6160.5-980110.3L1150 E1151 K1156 Y1157 T1158L1150-K1154 WeakPolarHBondContact O-CB 3.28Å; L1150-K1154 PolarHBondContact O-N 2.85Å; E1151-K1154 IonicContact OE1-NZ 3.89Å; E1151-K1154 PolarHBondContact OE1-NZ 2.97Å; E1151-K1154 IonicContact OE2-NZ 2.56Å; E1151-K1154 PolarHBondContact OE2-NZ 3.32Å; K1154-K1156 PolarHBondContact O-N 3.05Å; K1154-Y1157 PolarHBondContact O-N 3.33Å; K1154-T1158 VanDerWaalsContact O-CB 3.22Å; K1154-T1158 WeakPolarHBondContact O-CB 3.28Å; K1154-T1158 PolarHBondContact O-N 3.2Å; K1154-T1158 PolarHBondContact O-OG1 2.84Å
1155T83.5Confident82.8Confident62 Ų6292.4 Ų92.438%0.3846%0.464SS..Hα-helixtrans-60.3-43.7174.1-60.40000112.2E1151 N1152 N1159E1151-T1155 VanDerWaalsContact O-CB 3.23Å; E1151-T1155 WeakPolarHBondContact O-CB 3.35Å; E1151-T1155 PolarHBondContact O-N 3.43Å; E1151-T1155 PolarHBondContact O-OG1 3.42Å; N1152-T1155 PolarHBondContact O-N 3.38Å; T1155-N1159 WeakPolarHBondContact O-CB 2.79Å; T1155-N1159 PolarHBondContact O-N 3.46Å; T1155-N1159 PolarHBondContact O-ND2 2.94Å
1156K87.3Confident82.9Confident65 Ų6593.5 Ų93.528%0.28347%0.467SS..Hα-helixtrans-58.8-55.1175.5-179.9-169.1166.9-169.30111N1152 Y1153 K1154 T1158 N1159 E1160N1152-K1156 WeakPolarHBondContact O-CB 3.45Å; N1152-K1156 PolarHBondContact O-N 2.75Å; Y1153-K1156 PolarHBondContact O-N 3.42Å; K1154-K1156 PolarHBondContact O-N 3.05Å; K1156-T1158 PolarHBondContact O-N 2.88Å; K1156-N1159 PolarHBondContact O-N 2.96Å; K1156-E1160 WeakPolarHBondContact CE-OE1 3.27Å; K1156-E1160 IonicContact NZ-OE1 3.25Å; K1156-E1160 WeakPolarHBondContact O-CG 3.49Å; K1156-E1160 PolarHBondContact O-N 2.79Å
1157Y78.5Confident83Confident132 Ų13292.9 Ų92.952%0.51846%0.463SS..Hα-helixtrans-69.6-31.4-178.1-67.3-51.6000112.7Y1153 K1154 E1160 L1161Y1153-Y1157 WeakPolarHBondContact O-CB 3.38Å; Y1153-Y1157 WeakPolarHBondContact O-CD2 3.37Å; Y1153-Y1157 PolarHBondContact O-N 2.94Å; K1154-Y1157 PolarHBondContact O-N 3.33Å; Y1157-E1160 WeakPolarHBondContact CD1-OE2 3.4Å; Y1157-L1161 WeakPolarHBondContact O-CB 3.33Å; Y1157-L1161 PolarHBondContact O-N 2.92Å
1158T82.6Confident82.9Confident66 Ų6696.3 Ų96.341%0.40547%0.466SS..Hα-helixtrans-67.1-37170.2-64.90000111.3K1154 K1156 N1162K1154-T1158 VanDerWaalsContact O-CB 3.22Å; K1154-T1158 WeakPolarHBondContact O-CB 3.28Å; K1154-T1158 PolarHBondContact O-N 3.2Å; K1154-T1158 PolarHBondContact O-OG1 2.84Å; K1156-T1158 PolarHBondContact O-N 2.88Å; T1158-N1162 WeakPolarHBondContact O-CB 3.29Å; T1158-N1162 PolarHBondContact O-N 3.27Å; T1158-N1162 PolarHBondContact O-ND2 3.2Å; T1158-N1162 VanDerWaalsContact O-ND2 3.1Å
1159N84.9Confident82.5Confident85 Ų8595.7 Ų95.746%0.45546%0.46SS..Hα-helixtrans-70-45173.6-72.4-23.6000111.9T1155 K1156 L1161 N1162 D1163T1155-N1159 WeakPolarHBondContact O-CB 2.79Å; T1155-N1159 PolarHBondContact O-N 3.46Å; T1155-N1159 PolarHBondContact O-ND2 2.94Å; K1156-N1159 PolarHBondContact O-N 2.96Å; N1159-L1161 VanDerWaalsContact C-N 3.33Å; N1159-L1161 PolarHBondContact O-N 3.16Å; N1159-N1162 PolarHBondContact O-N 2.84Å; N1159-D1163 WeakPolarHBondContact O-CB 3.45Å; N1159-D1163 PolarHBondContact O-N 3.2Å
1160E85.5Confident82.4Confident96 Ų9696.6 Ų96.645%0.44947%0.465SS..Hα-helixtrans-62.4-38.8174.9-71.8173172.800111.5K1156 Y1157 L1164K1156-E1160 WeakPolarHBondContact CE-OE1 3.27Å; K1156-E1160 IonicContact NZ-OE1 3.25Å; K1156-E1160 WeakPolarHBondContact O-CG 3.49Å; K1156-E1160 PolarHBondContact O-N 2.79Å; Y1157-E1160 WeakPolarHBondContact CD1-OE2 3.4Å; E1160-L1164 WeakPolarHBondContact O-CB 3.39Å; E1160-L1164 PolarHBondContact O-N 3.47Å
1161L80.1Confident82.4Confident113 Ų11395.5 Ų95.559%0.59246%0.457SS*.Hα-helixtrans-67.5-41.2172.5-173.772.3000111.8Y1157 N1159 L1164 N1165Y1157-L1161 WeakPolarHBondContact O-CB 3.33Å; Y1157-L1161 PolarHBondContact O-N 2.92Å; N1159-L1161 VanDerWaalsContact C-N 3.33Å; N1159-L1161 PolarHBondContact O-N 3.16Å; L1161-L1164 PolarHBondContact O-N 3.43Å; L1161-N1165 WeakPolarHBondContact O-CB 3.38Å; L1161-N1165 PolarHBondContact O-N 2.78Å
1162N82.7Confident82.3Confident74 Ų7494.8 Ų94.840%0.39645%0.453SS..Hα-helixtrans-65.6-39.9176.7-81.6-32.5000111.9T1158 N1159 N1165 K1166T1158-N1162 WeakPolarHBondContact O-CB 3.29Å; T1158-N1162 PolarHBondContact O-N 3.27Å; T1158-N1162 PolarHBondContact O-ND2 3.2Å; T1158-N1162 VanDerWaalsContact O-ND2 3.1Å; N1159-N1162 PolarHBondContact O-N 2.84Å; N1162-N1165 PolarHBondContact O-N 3.37Å; N1162-K1166 WeakPolarHBondContact O-CB 3.41Å; N1162-K1166 VanDerWaalsContact O-CG 3.24Å; N1162-K1166 WeakPolarHBondContact O-CG 3.31Å; N1162-K1166 PolarHBondContact O-N 3.31Å
1163D84.6Confident82Confident92 Ų9292.7 Ų92.749%0.49245%0.447SS..Hα-helixtrans-75.9-34.5177.7-73.5-15.7000112N1159 K1166 K1167N1159-D1163 WeakPolarHBondContact O-CB 3.45Å; N1159-D1163 PolarHBondContact O-N 3.2Å; D1163-K1166 IonicContact OD1-NZ 3.83Å; D1163-K1166 PolarHBondContact OD1-NZ 3.42Å; D1163-K1167 WeakPolarHBondContact O-CB 3.28Å; D1163-K1167 PolarHBondContact O-N 3.03Å
1164L82.2Confident81.9Confident107 Ų10792.7 Ų92.756%0.5645%0.451SS*.Hα-helixtrans-66.4-37.2169-175.562.4000111.9E1160 L1161 K1167 Y1168E1160-L1164 WeakPolarHBondContact O-CB 3.39Å; E1160-L1164 PolarHBondContact O-N 3.47Å; L1161-L1164 PolarHBondContact O-N 3.43Å; L1164-K1167 WeakPolarHBondContact O-CB 3.46Å; L1164-K1167 PolarHBondContact O-N 3.39Å; L1164-Y1168 WeakPolarHBondContact O-CB 3.05Å; L1164-Y1168 PolarHBondContact O-N 2.66Å
1165N81.8Confident81.5Confident83 Ų8389.3 Ų89.344%0.44444%0.441SS..Hα-helixtrans-71.4-38.6176.2-169.640.2000111.6L1161 N1162 K1167 Y1168 E1169L1161-N1165 WeakPolarHBondContact O-CB 3.38Å; L1161-N1165 PolarHBondContact O-N 2.78Å; N1162-N1165 PolarHBondContact O-N 3.37Å; N1165-K1167 VanDerWaalsContact C-N 3.34Å; N1165-Y1168 PolarHBondContact O-N 2.9Å; N1165-E1169 WeakPolarHBondContact O-CB 3.01Å; N1165-E1169 WeakPolarHBondContact O-CG 3.41Å; N1165-E1169 PolarHBondContact O-N 3.27Å
1166K84.6Confident81.2Confident131 Ų13190.8 Ų90.857%0.5745%0.446SS*.Hα-helixtrans-60-43.3167.9-73.4168.5-159.4158.70111.3N1162 D1163 M1170N1162-K1166 WeakPolarHBondContact O-CB 3.41Å; N1162-K1166 VanDerWaalsContact O-CG 3.24Å; N1162-K1166 WeakPolarHBondContact O-CG 3.31Å; N1162-K1166 PolarHBondContact O-N 3.31Å; D1163-K1166 IonicContact OD1-NZ 3.83Å; D1163-K1166 PolarHBondContact OD1-NZ 3.42Å; K1166-M1170 WeakPolarHBondContact O-CB 3.45Å; K1166-M1170 PolarHBondContact O-N 2.67Å
1167K85Confident80.8Confident92 Ų9294.2 Ų94.240%0.446%0.463SS..Hα-helixtrans-62-48.1176.1-171.8-172.2177.3-880110.7D1163 L1164 N1165 M1170 E1171D1163-K1167 WeakPolarHBondContact O-CB 3.28Å; D1163-K1167 PolarHBondContact O-N 3.03Å; L1164-K1167 WeakPolarHBondContact O-CB 3.46Å; L1164-K1167 PolarHBondContact O-N 3.39Å; N1165-K1167 VanDerWaalsContact C-N 3.34Å; K1167-M1170 PolarHBondContact O-N 3.4Å; K1167-E1171 VanDerWaalsContact CE-OE1 3.25Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.25Å; K1167-E1171 HydrophobicContact CG-CG 4.43Å; K1167-E1171 IonicContact NZ-OE1 2.67Å; K1167-E1171 PolarHBondContact NZ-OE1 2.82Å; K1167-E1171 IonicContact NZ-OE2 2.65Å; K1167-E1171 PolarHBondContact NZ-OE2 3.29Å; K1167-E1171 WeakPolarHBondContact O-CB 3.38Å; K1167-E1171 WeakPolarHBondContact O-CG 3.5Å; K1167-E1171 PolarHBondContact O-N 3.42Å
1168Y78.5Confident80.8Confident121 Ų12192.7 Ų92.748%0.47546%0.46SS..Hα-helixtrans-60.9-48177.6174.4-103.4000112L1164 N1165 M1170 E1171 K1172L1164-Y1168 WeakPolarHBondContact O-CB 3.05Å; L1164-Y1168 PolarHBondContact O-N 2.66Å; N1165-Y1168 PolarHBondContact O-N 2.9Å; Y1168-M1170 VanDerWaalsContact C-N 3.3Å; Y1168-M1170 PolarHBondContact O-N 3Å; Y1168-E1171 PolarHBondContact O-N 3.29Å; Y1168-K1172 HydrophobicContact CE1-CD 3.91Å; Y1168-K1172 WeakPolarHBondContact O-CB 2.96Å; Y1168-K1172 PolarHBondContact O-N 3.48Å
1169E76.5Confident80.6Confident72 Ų7290.8 Ų90.834%0.33645%0.448SS..Hα-helixtrans-65.9-30.9176.7-72.1-63138.400112.4N1165 K1172 S1173N1165-E1169 WeakPolarHBondContact O-CB 3.01Å; N1165-E1169 WeakPolarHBondContact O-CG 3.41Å; N1165-E1169 PolarHBondContact O-N 3.27Å; E1169-K1172 WeakPolarHBondContact OE1-CD 3.36Å; E1169-K1172 IonicContact OE1-NZ 2.82Å; E1169-K1172 PolarHBondContact OE1-NZ 2.76Å; E1169-K1172 IonicContact OE2-NZ 3.45Å; E1169-K1172 PolarHBondContact OE2-NZ 2.87Å; E1169-S1173 VanDerWaalsContact O-CB 3.24Å; E1169-S1173 WeakPolarHBondContact O-CB 3.42Å; E1169-S1173 PolarHBondContact O-N 2.79Å; E1169-S1173 PolarHBondContact O-OG 3.39Å
1170M81.6Confident80.5Confident111 Ų11191 Ų9155%0.54745%0.448SS..Hα-helixtrans-70.3-46172.1-179.1173.261.600112.2K1166 K1167 Y1168 S1173 Q1174K1166-M1170 WeakPolarHBondContact O-CB 3.45Å; K1166-M1170 PolarHBondContact O-N 2.67Å; K1167-M1170 PolarHBondContact O-N 3.4Å; Y1168-M1170 VanDerWaalsContact C-N 3.3Å; Y1168-M1170 PolarHBondContact O-N 3Å; M1170-S1173 WeakPolarHBondContact O-CB 3.34Å; M1170-S1173 PolarHBondContact O-N 3.41Å; M1170-Q1174 WeakPolarHBondContact O-CG 3.42Å; M1170-Q1174 PolarHBondContact O-N 2.9Å
1171E79.9Confident80.4Confident71 Ų7190.2 Ų90.233%0.33245%0.45SS..Hα-helixtrans-68.3-36.6177.4-72.2176148.600111.5K1167 Y1168 Q1174 C1175K1167-E1171 VanDerWaalsContact CE-OE1 3.25Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.25Å; K1167-E1171 HydrophobicContact CG-CG 4.43Å; K1167-E1171 IonicContact NZ-OE1 2.67Å; K1167-E1171 PolarHBondContact NZ-OE1 2.82Å; K1167-E1171 IonicContact NZ-OE2 2.65Å; K1167-E1171 PolarHBondContact NZ-OE2 3.29Å; K1167-E1171 WeakPolarHBondContact O-CB 3.38Å; K1167-E1171 WeakPolarHBondContact O-CG 3.5Å; K1167-E1171 PolarHBondContact O-N 3.42Å; Y1168-E1171 PolarHBondContact O-N 3.29Å; E1171-Q1174 PolarHBondContact O-N 2.96Å; E1171-C1175 WeakPolarHBondContact O-CB 3.12Å; E1171-C1175 PolarHBondContact O-N 2.76Å
1172K78Confident80.4Confident77 Ų7787.4 Ų87.434%0.33543%0.434SS..Hα-helixtrans-63.9-42.2169.7175-175.8164.4-147.10111.3Y1168 E1169 C1175 I1176Y1168-K1172 HydrophobicContact CE1-CD 3.91Å; Y1168-K1172 WeakPolarHBondContact O-CB 2.96Å; Y1168-K1172 PolarHBondContact O-N 3.48Å; E1169-K1172 WeakPolarHBondContact OE1-CD 3.36Å; E1169-K1172 IonicContact OE1-NZ 2.82Å; E1169-K1172 PolarHBondContact OE1-NZ 2.76Å; E1169-K1172 IonicContact OE2-NZ 3.45Å; E1169-K1172 PolarHBondContact OE2-NZ 2.87Å; K1172-C1175 PolarHBondContact O-N 3.01Å; K1172-I1176 HydrophobicContact CG-CD1 3.97Å; K1172-I1176 WeakPolarHBondContact O-CB 3.44Å; K1172-I1176 WeakPolarHBondContact O-CD1 3.46Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.28Å; K1172-I1176 PolarHBondContact O-N 2.88Å
1173S78.6Confident80.3Confident66 Ų6688.3 Ų88.346%0.46244%0.436SS..Hα-helixtrans-63.6-45.5174.5-63.30000111.5E1169 M1170 C1175 I1176 E1177E1169-S1173 VanDerWaalsContact O-CB 3.24Å; E1169-S1173 WeakPolarHBondContact O-CB 3.42Å; E1169-S1173 PolarHBondContact O-N 2.79Å; E1169-S1173 PolarHBondContact O-OG 3.39Å; M1170-S1173 WeakPolarHBondContact O-CB 3.34Å; M1170-S1173 PolarHBondContact O-N 3.41Å; S1173-C1175 PolarHBondContact O-N 3.06Å; S1173-I1176 PolarHBondContact O-N 3.48Å; S1173-E1177 WeakPolarHBondContact O-CB 3.39Å; S1173-E1177 PolarHBondContact O-N 2.93Å
1174Q81.1Confident80.2Confident117 Ų11790.7 Ų90.755%0.54744%0.444SS..Hα-helixtrans-62.2-40.8173.7-75-176.2-28.600112.3M1170 E1171 E1177 Q1178M1170-Q1174 WeakPolarHBondContact O-CG 3.42Å; M1170-Q1174 PolarHBondContact O-N 2.9Å; E1171-Q1174 PolarHBondContact O-N 2.96Å; Q1174-E1177 PolarHBondContact O-N 3.2Å; Q1174-Q1178 VanDerWaalsContact O-CB 3.23Å; Q1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; Q1174-Q1178 PolarHBondContact O-N 3.44Å
1175C73.9Confident80.3Confident43 Ų4388.9 Ų88.929%0.29144%0.438SS..Hα-helixtrans-65.7-40.7176.6-1710000111.5E1171 K1172 S1173 L1179E1171-C1175 WeakPolarHBondContact O-CB 3.12Å; E1171-C1175 PolarHBondContact O-N 2.76Å; K1172-C1175 PolarHBondContact O-N 3.01Å; S1173-C1175 PolarHBondContact O-N 3.06Å; C1175-L1179 WeakPolarHBondContact O-CB 3.44Å; C1175-L1179 PolarHBondContact O-N 2.96Å
1176I77.2Confident80.3Confident93 Ų9386.6 Ų86.648%0.47743%0.43SS..Hα-helixtrans-64.2-42.4173.5-71.3164000111K1172 S1173 N1180K1172-I1176 HydrophobicContact CG-CD1 3.97Å; K1172-I1176 WeakPolarHBondContact O-CB 3.44Å; K1172-I1176 WeakPolarHBondContact O-CD1 3.46Å; K1172-I1176 WeakPolarHBondContact O-CG1 3.28Å; K1172-I1176 PolarHBondContact O-N 2.88Å; S1173-I1176 PolarHBondContact O-N 3.48Å; I1176-N1180 VanDerWaalsContact O-CB 3.28Å; I1176-N1180 WeakPolarHBondContact O-CB 3.48Å; I1176-N1180 VanDerWaalsContact O-CG 3.28Å; I1176-N1180 PolarHBondContact O-N 2.89Å; I1176-N1180 PolarHBondContact O-ND2 3.01Å; I1176-N1180 VanDerWaalsContact O-ND2 3.15Å
1177E80Confident80.2Confident136 Ų13685.9 Ų85.964%0.63643%0.432SS*.Hα-helixtrans-66.1-47.2177.6-172.4170.7-151.200111.7S1173 Q1174 L1179 N1180 V1181S1173-E1177 WeakPolarHBondContact O-CB 3.39Å; S1173-E1177 PolarHBondContact O-N 2.93Å; Q1174-E1177 PolarHBondContact O-N 3.2Å; E1177-L1179 PolarHBondContact O-N 3.4Å; E1177-N1180 WeakPolarHBondContact O-CB 3.31Å; E1177-N1180 PolarHBondContact O-N 3.35Å; E1177-V1181 WeakPolarHBondContact O-CG2 3.41Å; E1177-V1181 PolarHBondContact O-N 2.88Å
1178Q78.8Confident80.3Confident100 Ų10087.9 Ų87.947%0.46744%0.44SS..Hα-helixtrans-63.7-41.5176.5-175.1171.4-10.200111.8Q1174 V1181 E1182Q1174-Q1178 VanDerWaalsContact O-CB 3.23Å; Q1174-Q1178 WeakPolarHBondContact O-CB 3.3Å; Q1174-Q1178 PolarHBondContact O-N 3.44Å; Q1178-V1181 WeakPolarHBondContact O-CB 3.32Å; Q1178-V1181 PolarHBondContact O-N 2.86Å; Q1178-E1182 PolarHBondContact O-N 2.98Å
1179L78.5Confident80.5Confident27 Ų2786.4 Ų86.414%0.14144%0.441CS..Hα-helixtrans-71.1-31.2177.6-163.1143.3000111.8C1175 E1177 E1182 H1183 S1554 A1555C1175-L1179 WeakPolarHBondContact O-CB 3.44Å; C1175-L1179 PolarHBondContact O-N 2.96Å; E1177-L1179 PolarHBondContact O-N 3.4Å; L1179-E1182 PolarHBondContact O-N 3.48Å; L1179-H1183 WeakPolarHBondContact O-CB 3.48Å; L1179-H1183 PolarHBondContact O-N 3.39Å; L1179-S1554 WeakPolarHBondContact CD2-O 3.46Å; L1179-A1555 HydrophobicContact CD1-CB 3.64Å
1180N81Confident80.8Confident88 Ų8885.8 Ų85.847%0.47145%0.448SS..Hα-helixtrans-64.3-41.1167.7-83.9-36.3000111.8I1176 E1177 H1183 Q1184I1176-N1180 VanDerWaalsContact O-CB 3.28Å; I1176-N1180 WeakPolarHBondContact O-CB 3.48Å; I1176-N1180 VanDerWaalsContact O-CG 3.28Å; I1176-N1180 PolarHBondContact O-N 2.89Å; I1176-N1180 PolarHBondContact O-ND2 3.01Å; I1176-N1180 VanDerWaalsContact O-ND2 3.15Å; E1177-N1180 WeakPolarHBondContact O-CB 3.31Å; E1177-N1180 PolarHBondContact O-N 3.35Å; N1180-H1183 PolarHBondContact O-N 3.26Å; N1180-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1180-Q1184 WeakPolarHBondContact O-CG 3.42Å; N1180-Q1184 PolarHBondContact O-N 2.88Å
1181V85.2Confident80.9Confident81 Ų8184.1 Ų84.149%0.49144%0.444SS..Hα-helixtrans-65.1-41.1174.4170.40000111.5E1177 Q1178 T1185E1177-V1181 WeakPolarHBondContact O-CG2 3.41Å; E1177-V1181 PolarHBondContact O-N 2.88Å; Q1178-V1181 WeakPolarHBondContact O-CB 3.32Å; Q1178-V1181 PolarHBondContact O-N 2.86Å; V1181-T1185 VanDerWaalsContact O-CB 3.3Å; V1181-T1185 WeakPolarHBondContact O-CB 3.43Å; V1181-T1185 PolarHBondContact O-N 3.42Å; V1181-T1185 PolarHBondContact O-OG1 2.87Å
1182E78.6Confident81.1Confident54 Ų5484.9 Ų84.925%0.25245%0.45SS..Hα-helixtrans-66.3-40173-73.5-167.8135.200111.9Q1178 L1179 T1185 A1186Q1178-E1182 PolarHBondContact O-N 2.98Å; L1179-E1182 PolarHBondContact O-N 3.48Å; E1182-T1185 PolarHBondContact O-N 3.49Å; E1182-A1186 WeakPolarHBondContact O-CB 3.27Å; E1182-A1186 PolarHBondContact O-N 3.23Å
1183H80.6Confident81.4Confident92 Ų9285.3 Ų85.343%0.42646%0.46SS..Hα-helixtrans-63.1-46.3174.7-121.1131.1000111.4L1179 N1180 T1185 A1186 L1187L1179-H1183 WeakPolarHBondContact O-CB 3.48Å; L1179-H1183 PolarHBondContact O-N 3.39Å; N1180-H1183 PolarHBondContact O-N 3.26Å; H1183-T1185 VanDerWaalsContact C-N 3.31Å; H1183-T1185 PolarHBondContact O-N 3.45Å; H1183-A1186 PolarHBondContact O-N 2.87Å; H1183-L1187 WeakPolarHBondContact O-CB 3.21Å; H1183-L1187 PolarHBondContact O-N 2.91Å
1184Q82.6Confident81.5Confident142 Ų14284.8 Ų84.866%0.66446%0.459SS*.Hα-helixtrans-60.4-41.2174.8-74.7-175.514.900111.7N1180 K1188N1180-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1180-Q1184 WeakPolarHBondContact O-CG 3.42Å; N1180-Q1184 PolarHBondContact O-N 2.88Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.43Å; Q1184-K1188 PolarHBondContact O-N 3.45Å
1185T84.7Confident81.7Confident70 Ų7083.5 Ų83.543%0.42946%0.459SS..Hα-helixtrans-69.7-42.5179.7-57.80000111.7V1181 E1182 H1183 K1188 N1189V1181-T1185 VanDerWaalsContact O-CB 3.3Å; V1181-T1185 WeakPolarHBondContact O-CB 3.43Å; V1181-T1185 PolarHBondContact O-N 3.42Å; V1181-T1185 PolarHBondContact O-OG1 2.87Å; E1182-T1185 PolarHBondContact O-N 3.49Å; H1183-T1185 VanDerWaalsContact C-N 3.31Å; H1183-T1185 PolarHBondContact O-N 3.45Å; T1185-K1188 PolarHBondContact O-N 3.08Å; T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 3.13Å; T1185-N1189 PolarHBondContact O-ND2 3.22Å
1186A82.5Confident82.1Confident34 Ų3487.9 Ų87.928%0.28147%0.473SS..Hα-helixtrans-66.5-43.2175.600000111.6E1182 H1183 N1189 A1190E1182-A1186 WeakPolarHBondContact O-CB 3.27Å; E1182-A1186 PolarHBondContact O-N 3.23Å; H1183-A1186 PolarHBondContact O-N 2.87Å; A1186-N1189 PolarHBondContact O-N 3.16Å; A1186-A1190 VanDerWaalsContact O-CB 3.23Å; A1186-A1190 WeakPolarHBondContact O-CB 3.22Å; A1186-A1190 PolarHBondContact O-N 3.2Å
1187L82Confident82.4Confident116 Ų11686.7 Ų86.761%0.60747%0.47SS*.Hα-helixtrans-63.7-43.1176.3-162.2104.3000110.8H1183 A1190 V1191H1183-L1187 WeakPolarHBondContact O-CB 3.21Å; H1183-L1187 PolarHBondContact O-N 2.91Å; L1187-A1190 PolarHBondContact O-N 3.36Å; L1187-V1191 WeakPolarHBondContact O-CB 3.38Å; L1187-V1191 VanDerWaalsContact O-CG2 3.28Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.39Å; L1187-V1191 PolarHBondContact O-N 2.86Å
1188K86Confident82.5Confident134 Ų13486.3 Ų86.358%0.58347%0.467SS*.Hα-helixtrans-60.3-50.8173.4-178.6179177.8-177.50111.7Q1184 T1185 A1190 V1191 D1192Q1184-K1188 WeakPolarHBondContact O-CB 3.43Å; Q1184-K1188 PolarHBondContact O-N 3.45Å; T1185-K1188 PolarHBondContact O-N 3.08Å; K1188-A1190 VanDerWaalsContact C-N 3.29Å; K1188-A1190 PolarHBondContact O-N 2.99Å; K1188-V1191 PolarHBondContact O-N 2.74Å; K1188-D1192 WeakPolarHBondContact O-CB 3.38Å; K1188-D1192 PolarHBondContact O-N 2.86Å
1189N84.4Confident82.7Confident90 Ų9085.2 Ų85.248%0.48146%0.462SS..Hα-helixtrans-61.5-36.8178-71.9-21.4000112.2T1185 A1186 T1193T1185-N1189 WeakPolarHBondContact O-CB 3.44Å; T1185-N1189 PolarHBondContact O-N 3.13Å; T1185-N1189 PolarHBondContact O-ND2 3.22Å; A1186-N1189 PolarHBondContact O-N 3.16Å; N1189-T1193 VanDerWaalsContact O-CB 3.22Å; N1189-T1193 WeakPolarHBondContact O-CB 3.4Å; N1189-T1193 PolarHBondContact O-N 3.31Å; N1189-T1193 PolarHBondContact O-OG1 3.12Å
1190A82.7Confident83Confident59 Ų5990.4 Ų90.449%0.48848%0.483SS..Hα-helixtrans-68.4-41.5175.200000111.9A1186 L1187 K1188 T1193 A1194A1186-A1190 VanDerWaalsContact O-CB 3.23Å; A1186-A1190 WeakPolarHBondContact O-CB 3.22Å; A1186-A1190 PolarHBondContact O-N 3.2Å; L1187-A1190 PolarHBondContact O-N 3.36Å; K1188-A1190 VanDerWaalsContact C-N 3.29Å; K1188-A1190 PolarHBondContact O-N 2.99Å; A1190-T1193 PolarHBondContact O-N 3.36Å; A1190-A1194 WeakPolarHBondContact O-CB 3.41Å; A1190-A1194 PolarHBondContact O-N 2.93Å
1191V83Confident82.9Confident76 Ų7690.9 Ų90.946%0.46148%0.483SS..Hα-helixtrans-63.1-50.6173.31670000110.7L1187 K1188 T1193 A1194 V1195L1187-V1191 WeakPolarHBondContact O-CB 3.38Å; L1187-V1191 VanDerWaalsContact O-CG2 3.28Å; L1187-V1191 WeakPolarHBondContact O-CG2 3.39Å; L1187-V1191 PolarHBondContact O-N 2.86Å; K1188-V1191 PolarHBondContact O-N 2.74Å; V1191-T1193 VanDerWaalsContact C-N 3.3Å; V1191-T1193 PolarHBondContact O-N 2.94Å; V1191-A1194 PolarHBondContact O-N 3.36Å; V1191-V1195 HydrophobicContact CG1-CG2 4.26Å; V1191-V1195 WeakPolarHBondContact O-CB 3.48Å; V1191-V1195 VanDerWaalsContact O-CG2 3.26Å; V1191-V1195 WeakPolarHBondContact O-CG2 3.38Å; V1191-V1195 PolarHBondContact O-N 3.47Å
1192D83.9Confident82.7Confident87 Ų8791.8 Ų91.847%0.46548%0.482SS..Hα-helixtrans-59.7-40.6178.5-73.5-26000111.3K1188 F1196K1188-D1192 WeakPolarHBondContact O-CB 3.38Å; K1188-D1192 PolarHBondContact O-N 2.86Å; D1192-F1196 WeakPolarHBondContact O-CB 3.36Å; D1192-F1196 PolarHBondContact O-N 3.45Å
1193T84.1Confident82.9Confident87 Ų8794.8 Ų94.853%0.53450%0.495SS..Hα-helixtrans-67.7-42.6175.2-58.80000112.4N1189 A1190 V1191 F1196 T1197N1189-T1193 VanDerWaalsContact O-CB 3.22Å; N1189-T1193 WeakPolarHBondContact O-CB 3.4Å; N1189-T1193 PolarHBondContact O-N 3.31Å; N1189-T1193 PolarHBondContact O-OG1 3.12Å; A1190-T1193 PolarHBondContact O-N 3.36Å; V1191-T1193 VanDerWaalsContact C-N 3.3Å; V1191-T1193 PolarHBondContact O-N 2.94Å; T1193-F1196 PolarHBondContact O-N 2.98Å; T1193-T1197 WeakPolarHBondContact O-CB 3.47Å; T1193-T1197 PolarHBondContact O-N 3.49Å; T1193-T1197 PolarHBondContact O-OG1 3.32Å
1194A81Confident83Confident55 Ų5595.8 Ų95.846%0.45550%0.5SS..Hα-helixtrans-66.4-41177.700000111.4A1190 V1191 T1197 K1198A1190-A1194 WeakPolarHBondContact O-CB 3.41Å; A1190-A1194 PolarHBondContact O-N 2.93Å; V1191-A1194 PolarHBondContact O-N 3.36Å; A1194-T1197 PolarHBondContact O-N 3.18Å; A1194-K1198 WeakPolarHBondContact O-CB 3.14Å; A1194-K1198 PolarHBondContact O-N 3.5Å
1195V84.3Confident83Confident89 Ų8994.2 Ų94.254%0.53949%0.492SS..Hα-helixtrans-61.2-49.6172.9168.20000110.3V1191 T1197 K1198 E1199V1191-V1195 HydrophobicContact CG1-CG2 4.26Å; V1191-V1195 WeakPolarHBondContact O-CB 3.48Å; V1191-V1195 VanDerWaalsContact O-CG2 3.26Å; V1191-V1195 WeakPolarHBondContact O-CG2 3.38Å; V1191-V1195 PolarHBondContact O-N 3.47Å; V1195-T1197 VanDerWaalsContact C-N 3.33Å; V1195-T1197 PolarHBondContact O-N 3.19Å; V1195-K1198 PolarHBondContact O-N 3.21Å; V1195-E1199 WeakPolarHBondContact O-CB 3.37Å; V1195-E1199 PolarHBondContact O-N 3.45Å
1196F84.3Confident83Confident135 Ų13594.6 Ų94.659%0.59249%0.492SS*.Hα-helixtrans-60.2-41.2176.7-178.2-102.7000112.4D1192 T1193 E1199 K1200D1192-F1196 WeakPolarHBondContact O-CB 3.36Å; D1192-F1196 PolarHBondContact O-N 3.45Å; T1193-F1196 PolarHBondContact O-N 2.98Å; F1196-E1199 PolarHBondContact O-N 3.3Å; F1196-K1200 WeakPolarHBondContact O-CB 3.44Å; F1196-K1200 PolarHBondContact O-N 2.95Å
1197T82Confident83Confident68 Ų6895.3 Ų95.342%0.41750%0.495SS..Hα-helixtrans-68.7-40.9178.6-51.80000111.5T1193 A1194 V1195 K1200 Q1201T1193-T1197 WeakPolarHBondContact O-CB 3.47Å; T1193-T1197 PolarHBondContact O-N 3.49Å; T1193-T1197 PolarHBondContact O-OG1 3.32Å; A1194-T1197 PolarHBondContact O-N 3.18Å; V1195-T1197 VanDerWaalsContact C-N 3.33Å; V1195-T1197 PolarHBondContact O-N 3.19Å; T1197-K1200 PolarHBondContact O-N 3.36Å; T1197-Q1201 WeakPolarHBondContact O-CG 3.4Å; T1197-Q1201 PolarHBondContact O-N 3.49Å
1198K83.1Confident83Confident128 Ų12894.5 Ų94.556%0.55749%0.488SS*.Hα-helixtrans-65-39.4172.1-85.5-70.3-175-173.40112.3A1194 V1195 Q1201 M1202A1194-K1198 WeakPolarHBondContact O-CB 3.14Å; A1194-K1198 PolarHBondContact O-N 3.5Å; V1195-K1198 PolarHBondContact O-N 3.21Å; K1198-Q1201 PolarHBondContact O-N 2.9Å; K1198-M1202 WeakPolarHBondContact O-CB 3.18Å; K1198-M1202 WeakPolarHBondContact O-CG 3.38Å; K1198-M1202 PolarHBondContact O-N 3.33Å
1199E82.6Confident82.9Confident78 Ų7893 Ų9336%0.36449%0.486SS..Hα-helixtrans-66.7-40.3177-157.7-145-171.500111V1195 F1196 M1202 K1203V1195-E1199 WeakPolarHBondContact O-CB 3.37Å; V1195-E1199 PolarHBondContact O-N 3.45Å; F1196-E1199 PolarHBondContact O-N 3.3Å; E1199-M1202 PolarHBondContact O-N 3.47Å; E1199-K1203 HydrophobicContact CG-CD 4.43Å; E1199-K1203 WeakPolarHBondContact O-CB 3.3Å; E1199-K1203 VanDerWaalsContact O-CG 3.27Å; E1199-K1203 WeakPolarHBondContact O-CG 3.29Å; E1199-K1203 PolarHBondContact O-N 3.22Å; E1199-K1203 WeakPolarHBondContact OE1-CE 3.43Å; E1199-K1203 IonicContact OE1-NZ 3.92Å; E1199-K1203 PolarHBondContact OE1-NZ 3.5Å; E1199-K1203 WeakPolarHBondContact OE2-CE 3.31Å; E1199-K1203 IonicContact OE2-NZ 3.15Å; E1199-K1203 PolarHBondContact OE2-NZ 3.22Å
1200K84.4Confident82.8Confident135 Ų13596.4 Ų96.459%0.58749%0.492SS*.Hα-helixtrans-62.5-45.6172-171.3179179.4-176.70111.9F1196 T1197 K1203 Q1204F1196-K1200 WeakPolarHBondContact O-CB 3.44Å; F1196-K1200 PolarHBondContact O-N 2.95Å; T1197-K1200 PolarHBondContact O-N 3.36Å; K1200-K1203 PolarHBondContact O-N 3.35Å; K1200-Q1204 PolarHBondContact O-N 3.02Å
1201Q78.4Confident82.7Confident99 Ų9998.6 Ų98.646%0.46350%0.495SS..Hα-helixtrans-59.7-46.9173.1-78.1-175.7-12.900111.7T1197 K1198 K1203 Q1204 Q1205T1197-Q1201 WeakPolarHBondContact O-CG 3.4Å; T1197-Q1201 PolarHBondContact O-N 3.49Å; K1198-Q1201 PolarHBondContact O-N 2.9Å; Q1201-K1203 VanDerWaalsContact C-N 3.34Å; Q1201-K1203 PolarHBondContact O-N 2.71Å; Q1201-Q1204 PolarHBondContact O-N 3.31Å; Q1201-Q1205 WeakPolarHBondContact O-CB 3.49Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.33Å; Q1201-Q1205 PolarHBondContact O-N 2.87Å
1202M82.1Confident82.8Confident99 Ų99103 Ų10349%0.48850%0.503SS..Hα-helixtrans-62.5-38.4176.4-77.4-166.2-64.600112.2K1198 E1199 N1206K1198-M1202 WeakPolarHBondContact O-CB 3.18Å; K1198-M1202 WeakPolarHBondContact O-CG 3.38Å; K1198-M1202 PolarHBondContact O-N 3.33Å; E1199-M1202 PolarHBondContact O-N 3.47Å; M1202-N1206 WeakPolarHBondContact O-CB 3.38Å; M1202-N1206 PolarHBondContact O-N 2.77Å; M1202-N1206 PolarHBondContact O-ND2 2.98Å
1203K82.9Confident82.6Confident118 Ų118103.6 Ų103.651%0.51351%0.506SS..Hα-helixtrans-64.6-40.6175.4-77.5167.7178.2169.80111.4E1199 K1200 Q1201 S1207E1199-K1203 HydrophobicContact CG-CD 4.43Å; E1199-K1203 WeakPolarHBondContact O-CB 3.3Å; E1199-K1203 VanDerWaalsContact O-CG 3.27Å; E1199-K1203 WeakPolarHBondContact O-CG 3.29Å; E1199-K1203 PolarHBondContact O-N 3.22Å; E1199-K1203 WeakPolarHBondContact OE1-CE 3.43Å; E1199-K1203 IonicContact OE1-NZ 3.92Å; E1199-K1203 PolarHBondContact OE1-NZ 3.5Å; E1199-K1203 WeakPolarHBondContact OE2-CE 3.31Å; E1199-K1203 IonicContact OE2-NZ 3.15Å; E1199-K1203 PolarHBondContact OE2-NZ 3.22Å; K1200-K1203 PolarHBondContact O-N 3.35Å; Q1201-K1203 VanDerWaalsContact C-N 3.34Å; Q1201-K1203 PolarHBondContact O-N 2.71Å; K1203-S1207 PolarHBondContact O-N 3.21Å; K1203-S1207 VanDerWaalsContact O-N 3.13Å
1204Q81.6Confident82.4Confident113 Ų113106.7 Ų106.753%0.52851%0.513SS..Hα-helixtrans-69.5-48175.3-175.8166-18.300112.3K1200 Q1201 N1206 S1207 E1208K1200-Q1204 PolarHBondContact O-N 3.02Å; Q1201-Q1204 PolarHBondContact O-N 3.31Å; Q1204-N1206 VanDerWaalsContact C-N 3.29Å; Q1204-N1206 PolarHBondContact O-N 3.1Å; Q1204-S1207 WeakPolarHBondContact O-CA 3.21Å; Q1204-S1207 WeakPolarHBondContact O-CB 3.24Å; Q1204-S1207 PolarHBondContact O-N 3.28Å; Q1204-S1207 PolarHBondContact O-OG 3.21Å; Q1204-E1208 PolarHBondContact O-N 3.34Å
1205Q82.8Confident82.3Confident109 Ų109109.1 Ų109.151%0.50951%0.514SS..Hα-helixtrans-58.6-39173.7-74.9-177.5-29.200111.7Q1201 S1207 E1208 L1209Q1201-Q1205 WeakPolarHBondContact O-CB 3.49Å; Q1201-Q1205 WeakPolarHBondContact O-CG 3.33Å; Q1201-Q1205 PolarHBondContact O-N 2.87Å; Q1205-S1207 PolarHBondContact O-N 2.82Å; Q1205-E1208 PolarHBondContact O-N 2.81Å; Q1205-L1209 WeakPolarHBondContact O-CB 3.16Å; Q1205-L1209 VanDerWaalsContact O-CG 3.22Å; Q1205-L1209 WeakPolarHBondContact O-CG 3.23Å; Q1205-L1209 PolarHBondContact O-N 3.49Å
1206N83.9Confident82Confident77 Ų77108 Ų10841%0.41251%0.508SS..Hα-helixtrans-70.6-14.1172.8-82.8-67.8000113.8M1202 Q1204 R1210M1202-N1206 WeakPolarHBondContact O-CB 3.38Å; M1202-N1206 PolarHBondContact O-N 2.77Å; M1202-N1206 PolarHBondContact O-ND2 2.98Å; Q1204-N1206 VanDerWaalsContact C-N 3.29Å; Q1204-N1206 PolarHBondContact O-N 3.1Å; N1206-R1210 WeakPolarHBondContact O-CB 3.36Å; N1206-R1210 WeakPolarHBondContact O-CG 3.35Å; N1206-R1210 PolarHBondContact O-N 2.83Å; N1206-R1210 PolarHBondContact O-NE 2.88Å; N1206-R1210 PolarHBondContact O-NH2 2.8Å
1207S82.6Confident81.7Confident50 Ų50106.1 Ų106.135%0.3550%0.503SS..Hα-helixtrans-84.5-44.816982.30000110.9K1203 Q1204 Q1205 R1210 N1211K1203-S1207 PolarHBondContact O-N 3.21Å; K1203-S1207 VanDerWaalsContact O-N 3.13Å; Q1204-S1207 WeakPolarHBondContact O-CA 3.21Å; Q1204-S1207 WeakPolarHBondContact O-CB 3.24Å; Q1204-S1207 PolarHBondContact O-N 3.28Å; Q1204-S1207 PolarHBondContact O-OG 3.21Å; Q1205-S1207 PolarHBondContact O-N 2.82Å; S1207-R1210 PolarHBondContact O-N 3.49Å; S1207-N1211 VanDerWaalsContact O-CG 3.32Å; S1207-N1211 PolarHBondContact O-N 3.2Å; S1207-N1211 PolarHBondContact O-ND2 2.81Å
1208E82.5Confident81.3Confident99 Ų99109.8 Ų109.846%0.46352%0.516SS..Hα-helixtrans-63.9-43.5175.4-70.5178.517300111.9Q1204 Q1205 R1210 N1211 R1212Q1204-E1208 PolarHBondContact O-N 3.34Å; Q1205-E1208 PolarHBondContact O-N 2.81Å; E1208-R1210 VanDerWaalsContact C-N 3.33Å; E1208-R1210 PolarHBondContact O-N 2.79Å; E1208-N1211 PolarHBondContact O-N 3.23Å; E1208-R1212 WeakPolarHBondContact O-CB 3.32Å; E1208-R1212 WeakPolarHBondContact O-CG 3.4Å; E1208-R1212 PolarHBondContact O-N 3.45Å
1209L83.9Confident81Confident103 Ų103107.9 Ų107.954%0.53951%0.509SS..Hα-helixtrans-64.2-35.2174.1-73.2170.6000111.9Q1205 L1213Q1205-L1209 WeakPolarHBondContact O-CB 3.16Å; Q1205-L1209 VanDerWaalsContact O-CG 3.22Å; Q1205-L1209 WeakPolarHBondContact O-CG 3.23Å; Q1205-L1209 PolarHBondContact O-N 3.49Å; L1209-L1213 WeakPolarHBondContact O-CB 3.48Å; L1209-L1213 PolarHBondContact O-N 3.32Å
1210R82.2Confident80.3Confident161 Ų161107.5 Ų107.561%0.60851%0.509SS*.Hα-helixtrans-71.5-34.5173.6-85.4-178.8-77.6-154.5-3.4112.6N1206 S1207 E1208 K1214N1206-R1210 WeakPolarHBondContact O-CB 3.36Å; N1206-R1210 WeakPolarHBondContact O-CG 3.35Å; N1206-R1210 PolarHBondContact O-N 2.83Å; N1206-R1210 PolarHBondContact O-NE 2.88Å; N1206-R1210 PolarHBondContact O-NH2 2.8Å; S1207-R1210 PolarHBondContact O-N 3.49Å; E1208-R1210 VanDerWaalsContact C-N 3.33Å; E1208-R1210 PolarHBondContact O-N 2.79Å; R1210-K1214 PolarHBondContact O-N 3.13Å
1211N81.5Confident79.4Confident105 Ų105108 Ų10856%0.56151%0.513SS*.Hα-helixtrans-71.4-45.5174.4-69.9-18.4000111.5S1207 E1208 L1213 K1214 Q1215S1207-N1211 VanDerWaalsContact O-CG 3.32Å; S1207-N1211 PolarHBondContact O-N 3.2Å; S1207-N1211 PolarHBondContact O-ND2 2.81Å; E1208-N1211 PolarHBondContact O-N 3.23Å; N1211-L1213 VanDerWaalsContact C-N 3.34Å; N1211-L1213 PolarHBondContact O-N 3.43Å; N1211-K1214 WeakPolarHBondContact O-CB 3.22Å; N1211-K1214 PolarHBondContact O-N 2.98Å; N1211-Q1215 PolarHBondContact O-N 3.33Å
1212R84.6Confident78.7Confident167 Ų167107.4 Ų107.463%0.6352%0.516SS*.Hα-helixtrans-63.9-35.6172.4-72.3-17970-179.11.6112E1208 Q1215 V1216E1208-R1212 WeakPolarHBondContact O-CB 3.32Å; E1208-R1212 WeakPolarHBondContact O-CG 3.4Å; E1208-R1212 PolarHBondContact O-N 3.45Å; R1212-Q1215 PolarHBondContact O-N 3.45Å; R1212-V1216 VanDerWaalsContact O-CB 3.29Å; R1212-V1216 WeakPolarHBondContact O-CB 3.36Å; R1212-V1216 VanDerWaalsContact O-CG2 3.26Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.4Å; R1212-V1216 PolarHBondContact O-N 3.49Å
1213L79.4Confident77.7Confident100 Ų100105.4 Ų105.452%0.52451%0.513SS..Hα-helixtrans-69.1-38.6174.4-174.565.8000111.4L1209 N1211 L1217L1209-L1213 WeakPolarHBondContact O-CB 3.48Å; L1209-L1213 PolarHBondContact O-N 3.32Å; N1211-L1213 VanDerWaalsContact C-N 3.34Å; N1211-L1213 PolarHBondContact O-N 3.43Å; L1213-L1217 HydrophobicContact CD1-CD1 4.41Å; L1213-L1217 HydrophobicContact CD1-CG 4.31Å; L1213-L1217 HydrophobicContact CG-CD1 4.04Å; L1213-L1217 HydrophobicContact CG-CG 4.38Å; L1213-L1217 VanDerWaalsContact O-CB 3.22Å; L1213-L1217 WeakPolarHBondContact O-CB 3.15Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.24Å
1214K80.4Confident76.4Confident153 Ų153108.2 Ų108.267%0.66553%0.525SS*.Hα-helixtrans-59.1-48.4169.2-86.4-175.7171.8-176.90111.7R1210 N1211 L1217 Q1218R1210-K1214 PolarHBondContact O-N 3.13Å; N1211-K1214 WeakPolarHBondContact O-CB 3.22Å; N1211-K1214 PolarHBondContact O-N 2.98Å; K1214-L1217 PolarHBondContact O-N 3.41Å; K1214-Q1218 WeakPolarHBondContact O-CB 3.47Å; K1214-Q1218 PolarHBondContact O-N 3.44Å
1215Q78Confident75.1Confident105 Ų105110.8 Ų110.849%0.49153%0.534SS..Hα-helixtrans-61.8-50.9178.4179178.5-9.100111.5N1211 R1212 L1217 Q1218 E1219N1211-Q1215 PolarHBondContact O-N 3.33Å; R1212-Q1215 PolarHBondContact O-N 3.45Å; Q1215-L1217 VanDerWaalsContact C-N 3.35Å; Q1215-L1217 PolarHBondContact O-N 2.85Å; Q1215-Q1218 CarbonylContact O-C 3.5Å; Q1215-Q1218 WeakPolarHBondContact O-CA 3.48Å; Q1215-Q1218 WeakPolarHBondContact O-CB 3.18Å; Q1215-Q1218 PolarHBondContact O-N 3.14Å; Q1215-Q1218 VanDerWaalsContact O-N 3.1Å; Q1215-E1219 HydrophobicContact CG-CG 4.31Å; Q1215-E1219 VanDerWaalsContact CG-OE1 3.27Å; Q1215-E1219 WeakPolarHBondContact CG-OE1 3.49Å; Q1215-E1219 PolarHBondContact NE2-OE1 2.87Å; Q1215-E1219 WeakPolarHBondContact O-CB 3.46Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.13Å; Q1215-E1219 PolarHBondContact O-N 2.91Å
1216V78.9Confident73.7Confident66 Ų66112.4 Ų112.440%0.455%0.546SS..Hα-helixtrans-64.1-38.1179.2169.60000111.2R1212 Q1218 E1219 L1220R1212-V1216 VanDerWaalsContact O-CB 3.29Å; R1212-V1216 WeakPolarHBondContact O-CB 3.36Å; R1212-V1216 VanDerWaalsContact O-CG2 3.26Å; R1212-V1216 WeakPolarHBondContact O-CG2 3.4Å; R1212-V1216 PolarHBondContact O-N 3.49Å; V1216-Q1218 VanDerWaalsContact C-N 3.34Å; V1216-Q1218 PolarHBondContact O-N 2.95Å; V1216-E1219 PolarHBondContact O-N 3.48Å; V1216-L1220 WeakPolarHBondContact O-CA 3.22Å; V1216-L1220 WeakPolarHBondContact O-CB 3.41Å; V1216-L1220 PolarHBondContact O-N 3.47Å
1217L78.2Confident72Confident95 Ų95114.4 Ų114.450%0.49757%0.565SS.*Hα-helixtrans-61.2-44.2172-76.5169.3000110.9L1213 K1214 Q1215 L1220 E1221L1213-L1217 HydrophobicContact CD1-CD1 4.41Å; L1213-L1217 HydrophobicContact CD1-CG 4.31Å; L1213-L1217 HydrophobicContact CG-CD1 4.04Å; L1213-L1217 HydrophobicContact CG-CG 4.38Å; L1213-L1217 VanDerWaalsContact O-CB 3.22Å; L1213-L1217 WeakPolarHBondContact O-CB 3.15Å; L1213-L1217 WeakPolarHBondContact O-CG 3.34Å; L1213-L1217 PolarHBondContact O-N 3.24Å; K1214-L1217 PolarHBondContact O-N 3.41Å; Q1215-L1217 VanDerWaalsContact C-N 3.35Å; Q1215-L1217 PolarHBondContact O-N 2.85Å; L1217-L1220 PolarHBondContact O-N 3.24Å; L1217-E1221 WeakPolarHBondContact O-CB 3.44Å; L1217-E1221 PolarHBondContact O-N 3.11Å
1218Q74.1Confident70.3Confident145 Ų145116.4 Ų116.468%0.67859%0.585SS**Hα-helixtrans-65.5-41.9177.5-168.9170.3-1.600112.6K1214 Q1215 V1216 E1221 T1222K1214-Q1218 WeakPolarHBondContact O-CB 3.47Å; K1214-Q1218 PolarHBondContact O-N 3.44Å; Q1215-Q1218 CarbonylContact O-C 3.5Å; Q1215-Q1218 WeakPolarHBondContact O-CA 3.48Å; Q1215-Q1218 WeakPolarHBondContact O-CB 3.18Å; Q1215-Q1218 PolarHBondContact O-N 3.14Å; Q1215-Q1218 VanDerWaalsContact O-N 3.1Å; V1216-Q1218 VanDerWaalsContact C-N 3.34Å; V1216-Q1218 PolarHBondContact O-N 2.95Å; Q1218-E1221 WeakPolarHBondContact O-CB 3.08Å; Q1218-T1222 PolarHBondContact O-N 2.78Å
1219E74.9Confident68.8Low88 Ų88118.6 Ų118.641%0.41161%0.606SS.*Hα-helixtrans-66.1-36.7173.9-73.6171.5-178.700111.9Q1215 V1216 T1222 S1223Q1215-E1219 HydrophobicContact CG-CG 4.31Å; Q1215-E1219 VanDerWaalsContact CG-OE1 3.27Å; Q1215-E1219 WeakPolarHBondContact CG-OE1 3.49Å; Q1215-E1219 PolarHBondContact NE2-OE1 2.87Å; Q1215-E1219 WeakPolarHBondContact O-CB 3.46Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.13Å; Q1215-E1219 PolarHBondContact O-N 2.91Å; V1216-E1219 PolarHBondContact O-N 3.48Å; E1219-T1222 WeakPolarHBondContact CA-OG1 3.34Å; E1219-T1222 CarbonylContact O-C 3.54Å; E1219-T1222 PolarHBondContact O-N 3.32Å; E1219-T1222 PolarHBondContact O-OG1 2.78Å; E1219-S1223 WeakPolarHBondContact O-CB 3.37Å; E1219-S1223 PolarHBondContact O-N 3.2Å; E1219-S1223 PolarHBondContact O-OG 2.71Å
1220L68.1Low67.5Low71 Ų71119 Ų11937%0.37261%0.614SS.*Hα-helixtrans-79.4-29.2-179.4-164.2154.3000111.4V1216 L1217 T1222 S1223 K1224V1216-L1220 WeakPolarHBondContact O-CA 3.22Å; V1216-L1220 WeakPolarHBondContact O-CB 3.41Å; V1216-L1220 PolarHBondContact O-N 3.47Å; L1217-L1220 PolarHBondContact O-N 3.24Å; L1220-T1222 PolarHBondContact O-N 3.41Å; L1220-S1223 PolarHBondContact O-N 3Å; L1220-K1224 HydrophobicContact CD2-CB 4.49Å; L1220-K1224 HydrophobicContact CD2-CD 3.56Å; L1220-K1224 HydrophobicContact CD2-CG 3.72Å; L1220-K1224 HydrophobicContact CG-CG 4.47Å; L1220-K1224 WeakPolarHBondContact O-CB 3.41Å; L1220-K1224 PolarHBondContact O-N 3Å
1221E66.3Low66.4Low144 Ų144115.7 Ų115.767%0.67362%0.616SS**Hα-helixtrans-61-31.4164.2-15179.6-108.900111.5L1217 Q1218 K1225L1217-E1221 WeakPolarHBondContact O-CB 3.44Å; L1217-E1221 PolarHBondContact O-N 3.11Å; Q1218-E1221 WeakPolarHBondContact O-CB 3.08Å; E1221-K1225 VanDerWaalsContact O-CE 3.32Å; E1221-K1225 WeakPolarHBondContact O-CE 3.23Å; E1221-K1225 PolarHBondContact O-NZ 3.32Å
1222T63.9Low65.8Low87 Ų87119.7 Ų119.753%0.53462%0.623SS.*Hα-helixtrans-83.1-34.6170.761.80000113.5Q1218 E1219 L1220Q1218-T1222 PolarHBondContact O-N 2.78Å; E1219-T1222 WeakPolarHBondContact CA-OG1 3.34Å; E1219-T1222 CarbonylContact O-C 3.54Å; E1219-T1222 PolarHBondContact O-N 3.32Å; E1219-T1222 PolarHBondContact O-OG1 2.78Å; L1220-T1222 PolarHBondContact O-N 3.41Å
1223S60.9Low65.4Low58 Ų58121 Ų12141%0.40663%0.628SS.*Hα-helixtrans-98-17.6-168.1-56.60000115.3E1219 L1220 K1225 L1226E1219-S1223 WeakPolarHBondContact O-CB 3.37Å; E1219-S1223 PolarHBondContact O-N 3.2Å; E1219-S1223 PolarHBondContact O-OG 2.71Å; L1220-S1223 PolarHBondContact O-N 3Å; S1223-K1225 PolarHBondContact O-N 2.66Å; S1223-L1226 WeakPolarHBondContact O-CB 3.48Å; S1223-L1226 PolarHBondContact O-N 2.79Å
1224K56.2Low65.1Low177 Ų177121.6 Ų121.677%0.7763%0.628SS**THydrogen-bonded Turntrans-62.1-5.9167.4-102-177.8176.6163.90113.5L1220 L1226L1220-K1224 HydrophobicContact CD2-CB 4.49Å; L1220-K1224 HydrophobicContact CD2-CD 3.56Å; L1220-K1224 HydrophobicContact CD2-CG 3.72Å; L1220-K1224 HydrophobicContact CG-CG 4.47Å; L1220-K1224 WeakPolarHBondContact O-CB 3.41Å; L1220-K1224 PolarHBondContact O-N 3Å; K1224-L1226 PolarHBondContact O-N 2.92Å
1225K53.6Low64.9Low166 Ų166119.2 Ų119.272%0.72262%0.621SS**THydrogen-bonded Turntrans-79.410.4170.4-58.5171.2-175.3165.30112.6E1221 S1223E1221-K1225 VanDerWaalsContact O-CE 3.32Å; E1221-K1225 WeakPolarHBondContact O-CE 3.23Å; E1221-K1225 PolarHBondContact O-NZ 3.32Å; S1223-K1225 PolarHBondContact O-N 2.66Å
1226L54Low64.8Low144 Ų144118.6 Ų118.675%0.75462%0.619SS**SBendtrans-124.4-98.4-176.3-58.7174000114.2S1223 K1224S1223-L1226 WeakPolarHBondContact O-CB 3.48Å; S1223-L1226 PolarHBondContact O-N 2.79Å; K1224-L1226 PolarHBondContact O-N 2.92Å
1227S46.9Very low64.8Low118 Ų118120.9 Ų120.983%0.82563%0.628SS**  trans-153.9171.4-164.661.50000114.2
1228A47.9Very low64.8Low93 Ų93122.5 Ų122.577%0.76963%0.633SS**  trans-158.2122.6-177.300000115.4
1229T50.9Low65.1Low145 Ų145121.2 Ų121.289%0.8963%0.631SS**  trans-165.7148.215512.10000111.9
1230P57.4Low65.4Low110 Ų110122.6 Ų122.671%0.71464%0.64SS**  trans-87.6-174.7-179.1-8.128.3000115.6E1234P1230-E1234 WeakPolarHBondContact CB-OE2 3.45Å
1231S59.2Low66Low93 Ų93124.3 Ų124.365%0.6565%0.649SS**  trans-143.9154.3-166.1-176.50000115.8R1233 E1234S1231-R1233 PolarHBondContact O-N 2.71Å; S1231-E1234 WeakPolarHBondContact O-CB 3.25Å; S1231-E1234 PolarHBondContact O-N 3.4Å; S1231-E1234 VanDerWaalsContact O-N 3.08Å
1232R68Low66.8Low188 Ų188122.9 Ų122.971%0.70964%0.642SS**THydrogen-bonded Turntrans-41.6-36.5-173.5175.3177.6167.7165.30.8116.5E1234 I1235 E1236R1232-E1234 PolarHBondContact O-N 3Å; R1232-E1234 VanDerWaalsContact O-N 3.15Å; R1232-I1235 PolarHBondContact O-N 3.38Å; R1232-I1235 VanDerWaalsContact O-N 3.12Å; R1232-E1236 IonicContact CZ-OE1 2.67Å; R1232-E1236 IonicContact NE-OE1 2.84Å; R1232-E1236 PolarHBondContact NE-OE1 3.21Å; R1232-E1236 IonicContact NH2-OE1 3.85Å
1233R75.3Confident67.5Low196 Ų196120.7 Ų120.774%0.7464%0.636SS**Hα-helixtrans-62.9-20.3-176.5-164.8173.7-176.2117.30.5113.4S1231S1231-R1233 PolarHBondContact O-N 2.71Å
1234E73Confident68.4Low112 Ų112122 Ų12252%0.52364%0.642SS.*Hα-helixtrans-68.1-33.4176.4-163.6163.4-162.900112.2P1230 S1231 R1232P1230-E1234 WeakPolarHBondContact CB-OE2 3.45Å; S1231-E1234 WeakPolarHBondContact O-CB 3.25Å; S1231-E1234 PolarHBondContact O-N 3.4Å; S1231-E1234 VanDerWaalsContact O-N 3.08Å; R1232-E1234 PolarHBondContact O-N 3Å; R1232-E1234 VanDerWaalsContact O-N 3.15Å
1235I78.1Confident69.8Low102 Ų102118.4 Ų118.452%0.52363%0.628SS.*Hα-helixtrans-74.5-40.3-179.5-58.5173.2000111.2R1232 L1237 Q1238 N1239R1232-I1235 PolarHBondContact O-N 3.38Å; R1232-I1235 VanDerWaalsContact O-N 3.12Å; I1235-L1237 PolarHBondContact O-N 3.25Å; I1235-Q1238 PolarHBondContact O-N 2.95Å; I1235-Q1238 VanDerWaalsContact O-N 3.16Å; I1235-N1239 PolarHBondContact O-N 3.42Å
1236E75.6Confident71Confident92 Ų92116.9 Ų116.943%0.4362%0.623SS.*Hα-helixtrans-62.1-33.8179-73.4165.1-176.800111.6R1232 I1240R1232-E1236 IonicContact CZ-OE1 2.67Å; R1232-E1236 IonicContact NE-OE1 2.84Å; R1232-E1236 PolarHBondContact NE-OE1 3.21Å; R1232-E1236 IonicContact NH2-OE1 3.85Å; E1236-I1240 WeakPolarHBondContact O-CG1 3.46Å; E1236-I1240 PolarHBondContact O-N 3.32Å
1237L78.3Confident72.4Confident115 Ų115117.4 Ų117.460%0.60262%0.62SS**Hα-helixtrans-69.6-34.5175.5-69.4170000113.2I1235 L1241I1235-L1237 PolarHBondContact O-N 3.25Å; L1237-L1241 PolarHBondContact O-N 3.4Å
1238Q79.3Confident74Confident129 Ų129117.4 Ų117.460%0.60361%0.61SS**Hα-helixtrans-69.5-39.3178.2-71.1-179.3-48.300112.2I1235 I1240 L1241 H1242I1235-Q1238 PolarHBondContact O-N 2.95Å; I1235-Q1238 VanDerWaalsContact O-N 3.16Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; Q1238-L1241 WeakPolarHBondContact O-CB 3.4Å; Q1238-L1241 PolarHBondContact O-N 2.71Å; Q1238-H1242 PolarHBondContact O-N 3.38Å
1239N79.2Confident75.8Confident117 Ų117120.1 Ų120.163%0.62660%0.604SS**Hα-helixtrans-65.7-38177.4-71.8-9.1000112.4I1235 H1242 G1243I1235-N1239 PolarHBondContact O-N 3.42Å; N1239-H1242 PolarHBondContact O-N 2.7Å; N1239-G1243 PolarHBondContact O-N 2.71Å
1240I82.2Confident77.2Confident118 Ų118120.1 Ų120.161%0.60559%0.594SS**Hα-helixtrans-65.8-39.9176.4-67.2168.6000110.9E1236 Q1238 G1243 T1244E1236-I1240 WeakPolarHBondContact O-CG1 3.46Å; E1236-I1240 PolarHBondContact O-N 3.32Å; Q1238-I1240 PolarHBondContact O-N 3.19Å; I1240-G1243 PolarHBondContact O-N 2.86Å; I1240-T1244 PolarHBondContact O-N 3.28Å
1241L79.4Confident78.2Confident107 Ų107120.5 Ų120.556%0.5659%0.59SS**Hα-helixtrans-60.2-47.8177.3-167.974.2000111.3L1237 Q1238 G1243 T1244 E1245L1237-L1241 PolarHBondContact O-N 3.4Å; Q1238-L1241 WeakPolarHBondContact O-CB 3.4Å; Q1238-L1241 PolarHBondContact O-N 2.71Å; L1241-G1243 VanDerWaalsContact C-N 3.32Å; L1241-G1243 PolarHBondContact O-N 2.84Å; L1241-T1244 PolarHBondContact O-N 3.3Å; L1241-T1244 VanDerWaalsContact O-N 3.12Å; L1241-T1244 PolarHBondContact O-OG1 2.89Å; L1241-E1245 PolarHBondContact O-N 2.84Å
1242H83.1Confident79.3Confident114 Ų114122.4 Ų122.453%0.52859%0.588SS.*Hα-helixtrans-64.1-37.5-177.5-163.444.9000112.8Q1238 N1239 T1244 E1245 E1246Q1238-H1242 PolarHBondContact O-N 3.38Å; N1239-H1242 PolarHBondContact O-N 2.7Å; H1242-T1244 PolarHBondContact O-N 3.16Å; H1242-E1245 IonicContact ND1-OE2 2.76Å; H1242-E1245 PolarHBondContact ND1-OE2 2.99Å; H1242-E1245 PolarHBondContact O-N 3.39Å; H1242-E1245 VanDerWaalsContact O-N 3.14Å; H1242-E1246 PolarHBondContact O-N 3.48Å
1243G79.2Confident80Confident40 Ų40119.5 Ų119.541%0.41259%0.586SS.*Hα-helixtrans-66.6-15.7175.800000115.2N1239 I1240 L1241N1239-G1243 PolarHBondContact O-N 2.71Å; I1240-G1243 PolarHBondContact O-N 2.86Å; L1241-G1243 VanDerWaalsContact C-N 3.32Å; L1241-G1243 PolarHBondContact O-N 2.84Å
1244T80Confident80.1Confident86 Ų86116 Ų11653%0.52858%0.578SS.*Hα-helixtrans-91-24.6170.961.20000112.8I1240 L1241 H1242 L1248I1240-T1244 PolarHBondContact O-N 3.28Å; L1241-T1244 PolarHBondContact O-N 3.3Å; L1241-T1244 VanDerWaalsContact O-N 3.12Å; L1241-T1244 PolarHBondContact O-OG1 2.89Å; H1242-T1244 PolarHBondContact O-N 3.16Å; T1244-L1248 PolarHBondContact O-N 3.33Å
1245E85.3Confident80.2Confident101 Ų101118.5 Ų118.547%0.47258%0.584SS.*Hα-helixtrans-69.5-39.1177.9-66.7177.8142.200113.2L1241 H1242 L1248 K1249L1241-E1245 PolarHBondContact O-N 2.84Å; H1242-E1245 IonicContact ND1-OE2 2.76Å; H1242-E1245 PolarHBondContact ND1-OE2 2.99Å; H1242-E1245 PolarHBondContact O-N 3.39Å; H1242-E1245 VanDerWaalsContact O-N 3.14Å; E1245-L1248 PolarHBondContact O-N 3.26Å; E1245-K1249 PolarHBondContact O-N 2.75Å
1246E79.8Confident80.5Confident134 Ų134116.2 Ų116.263%0.62658%0.58SS**Hα-helixtrans-65.8-43.8177.1-73.4-156.6125.100112.3H1242 L1248 K1249 Q1250H1242-E1246 PolarHBondContact O-N 3.48Å; E1246-L1248 PolarHBondContact O-N 2.78Å; E1246-K1249 PolarHBondContact O-N 2.91Å; E1246-K1249 VanDerWaalsContact O-N 3.08Å; E1246-Q1250 PolarHBondContact O-N 3.08Å
1247K81.4Confident80.7Confident156 Ų156116.7 Ų116.768%0.67859%0.586SS**Hα-helixtrans-60-33.5178.4-71.1-171.3174.5-172.20112.7
1248L80.9Confident80.6Confident118 Ų118117.6 Ų117.662%0.61859%0.587SS**Hα-helixtrans-65.4-39.5176.4-165.675.9000112T1244 E1245 E1246 Q1252T1244-L1248 PolarHBondContact O-N 3.33Å; E1245-L1248 PolarHBondContact O-N 3.26Å; E1246-L1248 PolarHBondContact O-N 2.78Å; L1248-Q1252 WeakPolarHBondContact O-CG 3.3Å; L1248-Q1252 PolarHBondContact O-N 3.02Å
1249K86.6Confident80.5Confident149 Ų149114.5 Ų114.565%0.64858%0.579SS**Hα-helixtrans-68.7-36.2179.4-73.5178.3177.5171.80113E1245 E1246 Q1252 L1253E1245-K1249 PolarHBondContact O-N 2.75Å; E1246-K1249 PolarHBondContact O-N 2.91Å; E1246-K1249 VanDerWaalsContact O-N 3.08Å; K1249-Q1252 PolarHBondContact O-N 3.25Å; K1249-L1253 PolarHBondContact O-N 3.47Å
1250Q79.2Confident80.6Confident146 Ų146115.1 Ų115.168%0.68258%0.576SS**Hα-helixtrans-68.3-43.5-175.5-162.7140.413.800111.7E1246 Q1252 L1253E1246-Q1250 PolarHBondContact O-N 3.08Å; Q1250-Q1252 VanDerWaalsContact C-N 3.26Å; Q1250-Q1252 PolarHBondContact O-N 2.72Å; Q1250-L1253 PolarHBondContact O-N 2.94Å; Q1250-L1253 VanDerWaalsContact O-N 3.09Å
1251L79.3Confident80.4Confident118 Ų118113.1 Ų113.162%0.61857%0.573SS**Hα-helixtrans-61.1-29.9173-85.5160.7000113.7L1253L1251-L1253 VanDerWaalsContact C-N 3.28Å; L1251-L1253 PolarHBondContact O-N 3.42Å
1252Q82.7Confident80.2Confident133 Ų133114 Ų11462%0.62158%0.577SS**Hα-helixtrans-71.9-20.5176.2-74.6-176.6-38.200113.4L1248 K1249 Q1250L1248-Q1252 WeakPolarHBondContact O-CG 3.3Å; L1248-Q1252 PolarHBondContact O-N 3.02Å; K1249-Q1252 PolarHBondContact O-N 3.25Å; Q1250-Q1252 VanDerWaalsContact C-N 3.26Å; Q1250-Q1252 PolarHBondContact O-N 2.72Å
1253L82.1Confident80.1Confident126 Ų126115.2 Ų115.266%0.6658%0.583SS**Hα-helixtrans-81.9-47.1179.3-152.679.1000111.4K1249 Q1250 L1251 Y1255 A1256K1249-L1253 PolarHBondContact O-N 3.47Å; Q1250-L1253 PolarHBondContact O-N 2.94Å; Q1250-L1253 VanDerWaalsContact O-N 3.09Å; L1251-L1253 VanDerWaalsContact C-N 3.28Å; L1251-L1253 PolarHBondContact O-N 3.42Å; L1253-Y1255 VanDerWaalsContact C-N 3.26Å; L1253-Y1255 PolarHBondContact O-N 2.77Å; L1253-A1256 WeakPolarHBondContact O-CB 3.46Å; L1253-A1256 PolarHBondContact O-N 2.89Å
1254E77.3Confident80.2Confident123 Ų123120.5 Ų120.558%0.57560%0.597SS**Hα-helixtrans-59-37.3-180-65.6179.2131.700112.5A1256 Q1258E1254-A1256 VanDerWaalsContact C-N 3.27Å; E1254-A1256 PolarHBondContact O-N 3.21Å; E1254-Q1258 PolarHBondContact O-N 2.84Å
1255Y76.1Confident80.1Confident164 Ų164121.6 Ų121.664%0.64360%0.599SS**Hα-helixtrans-64.9-29177.7-161.4-96.1000113L1253 C1259L1253-Y1255 VanDerWaalsContact C-N 3.26Å; L1253-Y1255 PolarHBondContact O-N 2.77Å; Y1255-C1259 PolarHBondContact O-SG 3.5Å; Y1255-C1259 VanDerWaalsContact O-SG 3.36Å
1256A84.4Confident79.9Confident54 Ų54122.2 Ų122.245%0.44660%0.602SS.*Hα-helixtrans-76.9-36.2-177.600000113.1L1253 E1254L1253-A1256 WeakPolarHBondContact O-CB 3.46Å; L1253-A1256 PolarHBondContact O-N 2.89Å; E1254-A1256 VanDerWaalsContact C-N 3.27Å; E1254-A1256 PolarHBondContact O-N 3.21Å
1257D79.1Confident80.2Confident103 Ų103120.6 Ų120.655%0.55160%0.597SS**Hα-helixtrans-75.7-30.9178.9-74.5-32.7000112.2C1259 K1260D1257-C1259 VanDerWaalsContact C-N 3.32Å; D1257-C1259 PolarHBondContact O-N 2.81Å; D1257-K1260 PolarHBondContact O-N 3.18Å
1258Q75.6Confident80.3Confident133 Ų133119.7 Ų119.762%0.62159%0.593SS**Hα-helixtrans-60.6-38.2173-73.4-175.7-4.200112.8E1254 K1260 S1261E1254-Q1258 PolarHBondContact O-N 2.84Å; Q1258-K1260 PolarHBondContact O-N 3.48Å; Q1258-S1261 PolarHBondContact O-N 3.42Å
1259C78.5Confident80.1Confident65 Ų65118.5 Ų118.544%0.43959%0.586SS.*Hα-helixtrans-61.5-38.6-179.2-68.10000113.4Y1255 D1257 L1262Y1255-C1259 PolarHBondContact O-SG 3.5Å; Y1255-C1259 VanDerWaalsContact O-SG 3.36Å; D1257-C1259 VanDerWaalsContact C-N 3.32Å; D1257-C1259 PolarHBondContact O-N 2.81Å; C1259-L1262 PolarHBondContact O-N 2.81Å
1260K81.5Confident79.9Confident130 Ų130117 Ų11757%0.56558%0.581SS**Hα-helixtrans-66.8-37.8-178.5-73.5178.1179.1165.60113.4D1257 Q1258 L1262 E1263 E1264D1257-K1260 PolarHBondContact O-N 3.18Å; Q1258-K1260 PolarHBondContact O-N 3.48Å; K1260-L1262 PolarHBondContact O-N 2.77Å; K1260-E1263 PolarHBondContact O-N 2.84Å; K1260-E1264 PolarHBondContact O-N 2.84Å
1261S76.6Confident80.1Confident76 Ų76116.2 Ų116.253%0.53158%0.577SS.*Hα-helixtrans-60.6-30.9-178.4-167.20000112.3Q1258Q1258-S1261 PolarHBondContact O-N 3.42Å
1262L75.7Confident79.8Confident125 Ų125116.8 Ų116.865%0.65458%0.581SS**Hα-helixtrans-75-35.9177.8-69.8167.2000112.9C1259 K1260 L1265 Q1266C1259-L1262 PolarHBondContact O-N 2.81Å; K1260-L1262 PolarHBondContact O-N 2.77Å; L1262-L1265 PolarHBondContact O-N 3.46Å; L1262-Q1266 PolarHBondContact O-N 2.8Å
1263E81.4Confident79.4Confident140 Ų140116.8 Ų116.865%0.65458%0.581SS**Hα-helixtrans-65.5-38.7178.3-69.6-175.4128.400112.1K1260 L1265 Q1266K1260-E1263 PolarHBondContact O-N 2.84Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 3.38Å; E1263-Q1266 PolarHBondContact O-N 3.06Å
1264E80.9Confident79.2Confident150 Ų150114.8 Ų114.870%0.70158%0.577SS**Hα-helixtrans-68.9-25.5179.1-68.5-169.9-179.900113.8K1260K1260-E1264 PolarHBondContact O-N 2.84Å
1265L77.9Confident79.1Confident110 Ų110115.4 Ų115.458%0.57658%0.582SS**Hα-helixtrans-79.8-36.6177.1-73.9171.6000112.5L1262 E1263 I1267 K1268L1262-L1265 PolarHBondContact O-N 3.46Å; E1263-L1265 VanDerWaalsContact C-N 3.31Å; E1263-L1265 PolarHBondContact O-N 3.38Å; L1265-I1267 PolarHBondContact O-N 2.74Å; L1265-K1268 PolarHBondContact O-N 3Å
1266Q80.4Confident78.7Confident113 Ų113113.5 Ų113.553%0.52858%0.583SS.*Hα-helixtrans-57.4-47-179.7-172.968.636.200111.7L1262 E1263 K1268 I1269L1262-Q1266 PolarHBondContact O-N 2.8Å; E1263-Q1266 PolarHBondContact O-N 3.06Å; Q1266-K1268 VanDerWaalsContact C-N 3.31Å; Q1266-K1268 PolarHBondContact O-N 2.89Å; Q1266-I1269 PolarHBondContact O-N 3.12Å
1267I85.7Confident78Confident101 Ų101117.9 Ų117.952%0.51860%0.595SS.*Hα-helixtrans-60.7-37.5-175.5-63.4169000112.1L1265 I1269 E1270 E1271L1265-I1267 PolarHBondContact O-N 2.74Å; I1267-I1269 VanDerWaalsContact C-N 3.28Å; I1267-I1269 PolarHBondContact O-N 3.45Å; I1267-E1270 PolarHBondContact O-N 3.09Å; I1267-E1271 PolarHBondContact O-N 3.23Å
1268K83.9Confident77.6Confident137 Ų137120.3 Ų120.360%0.59660%0.603SS**Hα-helixtrans-71.7-18.3-178.3-89.8172.5177.4160.30114.6L1265 Q1266L1265-K1268 PolarHBondContact O-N 3Å; Q1266-K1268 VanDerWaalsContact C-N 3.31Å; Q1266-K1268 PolarHBondContact O-N 2.89Å
1269I77.6Confident77Confident93 Ų93120 Ų12048%0.47761%0.605SS.*Hα-helixtrans-76.4-45.7175.2-62.3173.2000109Q1266 I1267 E1271 L1272 E1273Q1266-I1269 PolarHBondContact O-N 3.12Å; I1267-I1269 VanDerWaalsContact C-N 3.28Å; I1267-I1269 PolarHBondContact O-N 3.45Å; I1269-E1271 VanDerWaalsContact C-N 3.32Å; I1269-E1271 PolarHBondContact O-N 2.87Å; I1269-L1272 PolarHBondContact O-N 3.4Å; I1269-L1272 VanDerWaalsContact O-N 3.14Å; I1269-E1273 PolarHBondContact O-N 3.24Å
1270E82.7Confident76.1Confident116 Ų116121.8 Ų121.854%0.54261%0.61SS.*Hα-helixtrans-61.6-36-178.9-62.2177.1-172.900112.6I1267 S1274I1267-E1270 PolarHBondContact O-N 3.09Å; E1270-S1274 PolarHBondContact O-N 3.42Å
1271E83.4Confident74.9Confident130 Ų130122.5 Ų122.561%0.60762%0.62SS**Hα-helixtrans-64.1-38.1175.1-69.7-174.2145.600113.2I1267 I1269I1267-E1271 PolarHBondContact O-N 3.23Å; I1269-E1271 VanDerWaalsContact C-N 3.32Å; I1269-E1271 PolarHBondContact O-N 2.87Å
1272L73.2Confident74Confident131 Ų131125.7 Ų125.769%0.68663%0.631SS**Hα-helixtrans-75.5-37.2-177.9-71.3172000112.5I1269 S1274 M1275I1269-L1272 PolarHBondContact O-N 3.4Å; I1269-L1272 VanDerWaalsContact O-N 3.14Å; L1272-S1274 VanDerWaalsContact C-N 3.33Å; L1272-S1274 PolarHBondContact O-N 3.29Å; L1272-M1275 PolarHBondContact O-N 3.08Å
1273E72.7Confident72.9Confident133 Ų133124 Ų12462%0.62163%0.629SS**Hα-helixtrans-63.1-39.3177.3-68.8-172.1157.800111.8I1269 M1275 N1276I1269-E1273 PolarHBondContact O-N 3.24Å; E1273-M1275 PolarHBondContact O-N 3.41Å; E1273-N1276 PolarHBondContact O-N 3.37Å
1274S79.3Confident71.4Confident84 Ų84125.4 Ų125.459%0.58763%0.633SS**Hα-helixtrans-65.1-35.7-179.9-169.60000113.3E1270 L1272E1270-S1274 PolarHBondContact O-N 3.42Å; L1272-S1274 VanDerWaalsContact C-N 3.33Å; L1272-S1274 PolarHBondContact O-N 3.29Å
1275M75.1Confident70Confident136 Ų136127.4 Ų127.467%0.6764%0.64SS**Hα-helixtrans-72.3-29.5-176.8-170172.1-68.300112.6L1272 E1273 M1277L1272-M1275 PolarHBondContact O-N 3.08Å; E1273-M1275 PolarHBondContact O-N 3.41Å; M1275-M1277 VanDerWaalsContact C-N 3.27Å; M1275-M1277 PolarHBondContact O-N 2.75Å
1276N66.4Low68.3Low124 Ų124129.9 Ų129.966%0.66365%0.654SS**Hα-helixtrans-74.2-17.9-177.6-153.315.1000113E1273E1273-N1276 PolarHBondContact O-N 3.37Å
1277M71.6Confident66.6Low145 Ų145133.1 Ų133.171%0.71467%0.669SS**Hα-helixtrans-74.2-43.6178.7-76.8-77-73.200113.2M1275 I1279 N1280M1275-M1277 VanDerWaalsContact C-N 3.27Å; M1275-M1277 PolarHBondContact O-N 2.75Å; M1277-I1279 VanDerWaalsContact C-N 3.28Å; M1277-I1279 PolarHBondContact O-N 2.7Å; M1277-N1280 PolarHBondContact O-N 2.71Å
1278E69.1Low64.5Low154 Ų154136.3 Ų136.372%0.7268%0.682SS**Hα-helixtrans-67-26-172.8-69.2-163.6127.900114.1N1280 N1282E1278-N1280 VanDerWaalsContact C-N 3.35Å; E1278-N1280 PolarHBondContact O-N 3.23Å; E1278-N1282 PolarHBondContact O-ND2 3.1Å
1279I63.6Low62.6Low127 Ų127136.7 Ų136.765%0.65169%0.69SS**Hα-helixtrans-71.2-30.8-176.3-62.2176.7000111.7M1277M1277-I1279 VanDerWaalsContact C-N 3.28Å; M1277-I1279 PolarHBondContact O-N 2.7Å
1280N58.6Low61Low103 Ų103140 Ų14055%0.55171%0.708SS**Hα-helixtrans-76.9-39.4-168.5-158.2-11.4000113.2M1277 E1278 N1282 S1283M1277-N1280 PolarHBondContact O-N 2.71Å; E1278-N1280 VanDerWaalsContact C-N 3.35Å; E1278-N1280 PolarHBondContact O-N 3.23Å; N1280-N1282 PolarHBondContact O-N 3.2Å; N1280-S1283 PolarHBondContact O-OG 3.02Å
1281D56.3Low59.1Low144 Ų144142.8 Ų142.877%0.7771%0.714SS**Hα-helixtrans-73.8-28.4-169.9-92.2-9.1000114.7S1283D1281-S1283 VanDerWaalsContact C-N 3.28Å; D1281-S1283 PolarHBondContact O-N 3.43Å
1282N59.1Low57.3Low144 Ų144143.9 Ų143.977%0.7772%0.724SS**THydrogen-bonded Turntrans-72.7-16.2-173.5-77.6-59.5000114.4E1278 N1280 K1284E1278-N1282 PolarHBondContact O-ND2 3.1Å; N1280-N1282 PolarHBondContact O-N 3.2Å; N1282-K1284 PolarHBondContact O-N 2.8Å
1283S51.7Low56.1Low88 Ų88146.3 Ų146.362%0.61573%0.731SS**THydrogen-bonded Turntrans-73.7-14.4-168.259.10000116.5N1280 D1281N1280-S1283 PolarHBondContact O-OG 3.02Å; D1281-S1283 VanDerWaalsContact C-N 3.28Å; D1281-S1283 PolarHBondContact O-N 3.43Å
1284K49.8Very low55.1Low170 Ų170144.5 Ų144.574%0.73973%0.726SS**SBendtrans-110.913.3-152.9-88.2168.7-177.5155.50118.6N1282N1282-K1284 PolarHBondContact O-N 2.8Å
1285K51.6Low53.5Low193 Ų193144.9 Ų144.984%0.83973%0.728SS**SBendtrans-133.6-9.8-157.2-127.7171.7-174.8170.50122.9
1286N43.1Very low52.5Low162 Ų162145.4 Ų145.487%0.86673%0.733SS**  trans-143.727.9-152.1-109.85.9000120.7
1287Q45Very low52.2Low180 Ų180142.1 Ų142.184%0.84172%0.72SS**  trans-127.820.7-170.7-89.5-173.8-14.900119.1
1288Q41.6Very low51.5Low168 Ų168137.5 Ų137.579%0.78570%0.698SS**SBendtrans-87.9-34.1-170.4-162.763.461.200117.4
1289D44.3Very low51.4Low145 Ų145133.8 Ų133.878%0.77569%0.689SS**SBendtrans-132.921.5-150.4-69.3-46.6000118.6
1290L43.5Very low52Low164 Ų164135 Ų13586%0.85969%0.691SS**  trans-130.55.5-163.2-135.280.8000121.2
1291W42.1Very low52.8Low173 Ų173134.8 Ų134.866%0.65569%0.689SS**  trans-96.5-9.2-162.3-76.963.2000117.8H1293 I1298W1291-H1293 VanDerWaalsContact C-N 3.32Å; W1291-H1293 PolarHBondContact O-N 3.41Å; W1291-H1293 VanDerWaalsContact O-N 3.12Å; W1291-I1298 HydrophobicContact CE3-CD1 4.21Å; W1291-I1298 HydrophobicContact CZ3-CG2 3.98Å
1292D45.6Very low53.6Low154 Ų154133 Ų13382%0.82468%0.676SS**THydrogen-bonded Turntrans-70.7-6.8-166.5-92.4-6.3000117.4
1293H48.8Very low54.4Low182 Ų182133.1 Ų133.184%0.84367%0.672SS**THydrogen-bonded Turntrans-134.614.2-157.6-87.416.3000118W1291W1291-H1293 VanDerWaalsContact C-N 3.32Å; W1291-H1293 PolarHBondContact O-N 3.41Å; W1291-H1293 VanDerWaalsContact O-N 3.12Å
1294N50.5Low55.7Low95 Ų95133 Ų13351%0.50866%0.664SS.*  trans-152.450.9178.3-156.230.3000116.6D1296 I1298N1294-D1296 PolarHBondContact O-N 3.45Å; N1294-I1298 WeakPolarHBondContact O-CD1 3.29Å; N1294-I1298 VanDerWaalsContact O-CG1 3.28Å; N1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; N1294-I1298 PolarHBondContact O-N 3.38Å
1295C47.1Very low57.1Low92 Ų92131.8 Ų131.862%0.62266%0.656SS**Hα-helixtrans-54.4-45.4-173.1-61.80000115.1S1297 I1298 S1299C1295-S1297 PolarHBondContact O-N 2.81Å; C1295-I1298 WeakPolarHBondContact O-CB 3.27Å; C1295-I1298 PolarHBondContact O-N 3.2Å; C1295-I1298 VanDerWaalsContact O-N 3.08Å; C1295-S1299 PolarHBondContact O-N 2.7Å
1296D53.1Low58.4Low147 Ų147126.9 Ų126.979%0.78664%0.636SS**Hα-helixtrans-65-41.3-169.9-60.8-15.2000112.8N1294 I1298N1294-D1296 PolarHBondContact O-N 3.45Å; D1296-I1298 VanDerWaalsContact C-N 3.34Å
1297S60.8Low60.4Low55 Ų55125 Ų12539%0.38562%0.624SS.*Hα-helixtrans-76.4-19.7174.8-53.60000113.5C1295 I1301C1295-S1297 PolarHBondContact O-N 2.81Å; S1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; S1297-I1301 WeakPolarHBondContact O-CG1 3.49Å; S1297-I1301 PolarHBondContact O-N 3.48Å
1298I57Low62.1Low48 Ų48121.2 Ų121.225%0.24661%0.606CS.*Hα-helixtrans-70.4-36.7176.8-73.3168000110.3W1291 N1294 C1295 D1296 I1301 H1302W1291-I1298 HydrophobicContact CE3-CD1 4.21Å; W1291-I1298 HydrophobicContact CZ3-CG2 3.98Å; N1294-I1298 WeakPolarHBondContact O-CD1 3.29Å; N1294-I1298 VanDerWaalsContact O-CG1 3.28Å; N1294-I1298 WeakPolarHBondContact O-CG1 3.43Å; N1294-I1298 PolarHBondContact O-N 3.38Å; C1295-I1298 WeakPolarHBondContact O-CB 3.27Å; C1295-I1298 PolarHBondContact O-N 3.2Å; C1295-I1298 VanDerWaalsContact O-N 3.08Å; D1296-I1298 VanDerWaalsContact C-N 3.34Å; I1298-I1301 PolarHBondContact O-N 3.5Å; I1298-H1302 WeakPolarHBondContact O-CB 3.26Å; I1298-H1302 PolarHBondContact O-N 3.45Å
1299S67.3Low64Low76 Ų76117 Ų11753%0.53159%0.588SS.*Hα-helixtrans-59.7-49.5178-63.30000113.2C1295 I1301 H1302 E1303C1295-S1299 PolarHBondContact O-N 2.7Å; S1299-I1301 VanDerWaalsContact C-N 3.32Å; S1299-I1301 PolarHBondContact O-N 3.36Å; S1299-H1302 PolarHBondContact O-N 2.78Å; S1299-H1302 VanDerWaalsContact O-N 3.11Å; S1299-E1303 PolarHBondContact O-N 3.25Å
1300E74.6Confident65.5Low152 Ų152114.1 Ų114.171%0.7157%0.57SS**Hα-helixtrans-66.4-34.3-178.3-167.4176.4-132.100112N1304E1300-N1304 PolarHBondContact O-N 2.74Å
1301I75.4Confident67.5Low99 Ų99111 Ų11151%0.50855%0.554SS.*Hα-helixtrans-69.7-39.9171.9-68.1171.8000110.9S1297 I1298 S1299 N1304 Y1305S1297-I1301 WeakPolarHBondContact O-CD1 3.4Å; S1297-I1301 WeakPolarHBondContact O-CG1 3.49Å; S1297-I1301 PolarHBondContact O-N 3.48Å; I1298-I1301 PolarHBondContact O-N 3.5Å; S1299-I1301 VanDerWaalsContact C-N 3.32Å; S1299-I1301 PolarHBondContact O-N 3.36Å; I1301-N1304 PolarHBondContact O-N 2.77Å; I1301-Y1305 HydrophobicContact CG2-CD2 3.69Å; I1301-Y1305 HydrophobicContact CG2-CE2 3.65Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.3Å
1302H73.3Confident69.5Low106 Ų106108.2 Ų108.249%0.49155%0.551SS.*Hα-helixtrans-68.2-41.4-179.6-166.7-34.8000111.8I1298 S1299 N1304 Y1305 Q1306I1298-H1302 WeakPolarHBondContact O-CB 3.26Å; I1298-H1302 PolarHBondContact O-N 3.45Å; S1299-H1302 PolarHBondContact O-N 2.78Å; S1299-H1302 VanDerWaalsContact O-N 3.11Å; H1302-N1304 VanDerWaalsContact C-N 3.33Å; H1302-N1304 PolarHBondContact O-N 3.18Å; H1302-Y1305 PolarHBondContact O-N 3.5Å; H1302-Q1306 PolarHBondContact CE1-OE1 3.48Å; H1302-Q1306 VanDerWaalsContact O-CB 3.25Å; H1302-Q1306 WeakPolarHBondContact O-CB 3.49Å; H1302-Q1306 PolarHBondContact O-N 3.41Å
1303E75.9Confident71.3Confident147 Ų147105.7 Ų105.769%0.68753%0.533SS*.Hα-helixtrans-61.2-41.7174.1-75.8-170.4133.100111.8S1299 Q1306 M1307S1299-E1303 PolarHBondContact O-N 3.25Å; E1303-Q1306 WeakPolarHBondContact O-CB 3.32Å; E1303-Q1306 PolarHBondContact O-N 3.45Å; E1303-M1307 WeakPolarHBondContact O-CB 3.13Å; E1303-M1307 PolarHBondContact O-N 2.89Å
1304N80.2Confident72.8Confident85 Ų85100.6 Ų100.646%0.45552%0.515SS..Hα-helixtrans-67-41.5-179.5-160.5-19000112E1300 I1301 H1302 Q1308E1300-N1304 PolarHBondContact O-N 2.74Å; I1301-N1304 PolarHBondContact O-N 2.77Å; H1302-N1304 VanDerWaalsContact C-N 3.33Å; H1302-N1304 PolarHBondContact O-N 3.18Å; N1304-Q1308 WeakPolarHBondContact O-CG 2.84Å; N1304-Q1308 PolarHBondContact O-N 3.12Å; N1304-Q1308 VanDerWaalsContact O-N 3.13Å; N1304-Q1308 PolarHBondContact OD1-NE2 2.95Å
1305Y78.7Confident74.4Confident145 Ų145101.7 Ų101.757%0.56952%0.517SS*.Hα-helixtrans-67.9-38.5171.2-80.2-60.8000112.8I1301 H1302 M1307 Q1308 I1309I1301-Y1305 HydrophobicContact CG2-CD2 3.69Å; I1301-Y1305 HydrophobicContact CG2-CE2 3.65Å; I1301-Y1305 WeakPolarHBondContact O-CD2 3.35Å; I1301-Y1305 PolarHBondContact O-N 3.3Å; H1302-Y1305 PolarHBondContact O-N 3.5Å; Y1305-M1307 VanDerWaalsContact C-N 3.3Å; Y1305-M1307 PolarHBondContact O-N 3.02Å; Y1305-Q1308 PolarHBondContact O-N 2.88Å; Y1305-I1309 WeakPolarHBondContact O-CB 3.48Å; Y1305-I1309 VanDerWaalsContact O-CG1 3.27Å; Y1305-I1309 WeakPolarHBondContact O-CG1 3.34Å; Y1305-I1309 PolarHBondContact O-N 3Å
1306Q78.3Confident76.1Confident89 Ų89103.4 Ų103.442%0.41652%0.516SS..Hα-helixtrans-59-44.7175.8-162.578.51.700110.6H1302 E1303 I1309 E1310H1302-Q1306 PolarHBondContact CE1-OE1 3.48Å; H1302-Q1306 VanDerWaalsContact O-CB 3.25Å; H1302-Q1306 WeakPolarHBondContact O-CB 3.49Å; H1302-Q1306 PolarHBondContact O-N 3.41Å; E1303-Q1306 WeakPolarHBondContact O-CB 3.32Å; E1303-Q1306 PolarHBondContact O-N 3.45Å; Q1306-I1309 PolarHBondContact O-N 3.08Å; Q1306-E1310 PolarHBondContact O-N 2.81Å
1307M84.6Confident77.5Confident123 Ų12398.6 Ų98.661%0.60650%0.496SS*.Hα-helixtrans-65.3-40.2178.3-175166.655.100112.5E1303 Y1305 E1310 L1311E1303-M1307 WeakPolarHBondContact O-CB 3.13Å; E1303-M1307 PolarHBondContact O-N 2.89Å; Y1305-M1307 VanDerWaalsContact C-N 3.3Å; Y1305-M1307 PolarHBondContact O-N 3.02Å; M1307-E1310 PolarHBondContact O-N 3.1Å; M1307-L1311 WeakPolarHBondContact O-CB 3.34Å; M1307-L1311 PolarHBondContact O-N 3.33Å
1308Q81.2Confident78.7Confident100 Ų100100.5 Ų100.547%0.46750%0.502SS..Hα-helixtrans-66.5-35.8173.6-71.7177.64100112.6N1304 Y1305 L1311 L1312N1304-Q1308 WeakPolarHBondContact O-CG 2.84Å; N1304-Q1308 PolarHBondContact O-N 3.12Å; N1304-Q1308 VanDerWaalsContact O-N 3.13Å; N1304-Q1308 PolarHBondContact OD1-NE2 2.95Å; Y1305-Q1308 PolarHBondContact O-N 2.88Å; Q1308-L1311 PolarHBondContact O-N 3.08Å; Q1308-L1312 PolarHBondContact O-N 3.15Å
1309I81.2Confident80Confident81 Ų81101.6 Ų101.642%0.41551%0.513SS..Hα-helixtrans-66.1-42.4175.3-72.9165.7000111Y1305 Q1306 L1312 K1313Y1305-I1309 WeakPolarHBondContact O-CB 3.48Å; Y1305-I1309 VanDerWaalsContact O-CG1 3.27Å; Y1305-I1309 WeakPolarHBondContact O-CG1 3.34Å; Y1305-I1309 PolarHBondContact O-N 3Å; Q1306-I1309 PolarHBondContact O-N 3.08Å; I1309-L1312 PolarHBondContact O-N 2.99Å; I1309-K1313 HydrophobicContact CG2-CD 4.16Å; I1309-K1313 WeakPolarHBondContact O-CB 3.32Å; I1309-K1313 VanDerWaalsContact O-CG 3.24Å; I1309-K1313 WeakPolarHBondContact O-CG 3.44Å; I1309-K1313 PolarHBondContact O-N 3.5Å
1310E77.1Confident80.7Confident84 Ų84102 Ų10239%0.39351%0.509SS..Hα-helixtrans-67.3-33.3174.2-67.4-49.9133.600113.1Q1306 M1307 K1313 T1314Q1306-E1310 PolarHBondContact O-N 2.81Å; M1307-E1310 PolarHBondContact O-N 3.1Å; E1310-K1313 PolarHBondContact O-N 3.44Å; E1310-K1313 WeakPolarHBondContact OE1-CD 3.46Å; E1310-K1313 IonicContact OE1-NZ 3.64Å; E1310-K1313 PolarHBondContact OE1-NZ 2.78Å; E1310-K1313 WeakPolarHBondContact OE2-CD 3.44Å; E1310-K1313 IonicContact OE2-NZ 3.94Å; E1310-T1314 PolarHBondContact O-N 2.76Å; E1310-T1314 PolarHBondContact O-OG1 2.8Å
1311L84.7Confident81Confident99 Ų99101.1 Ų101.152%0.51850%0.504SS..Hα-helixtrans-66.2-46.8174.8-130.4160.3000111.3M1307 Q1308 K1313 T1314 E1315M1307-L1311 WeakPolarHBondContact O-CB 3.34Å; M1307-L1311 PolarHBondContact O-N 3.33Å; Q1308-L1311 PolarHBondContact O-N 3.08Å; L1311-K1313 PolarHBondContact O-N 2.78Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.32Å; L1311-T1314 PolarHBondContact O-N 3.38Å; L1311-T1314 PolarHBondContact O-OG1 3Å; L1311-E1315 HydrophobicContact CD2-CG 4.43Å; L1311-E1315 PolarHBondContact O-N 3.25Å
1312L83.6Confident81.4Confident114 Ų114101.5 Ų101.560%0.59750%0.504SS*.Hα-helixtrans-64.3-38.2174.5-77.7166.6000112.8Q1308 I1309 Q1316Q1308-L1312 PolarHBondContact O-N 3.15Å; I1309-L1312 PolarHBondContact O-N 2.99Å; L1312-Q1316 VanDerWaalsContact O-CB 3.31Å; L1312-Q1316 WeakPolarHBondContact O-CB 3.4Å; L1312-Q1316 PolarHBondContact O-N 3.47Å
1313K83.6Confident81.8Confident101 Ų101101.1 Ų101.144%0.43950%0.504SS..Hα-helixtrans-62-42.5173.3-77.4169.4179.6177.30112.1I1309 E1310 L1311 Q1316 A1317I1309-K1313 HydrophobicContact CG2-CD 4.16Å; I1309-K1313 WeakPolarHBondContact O-CB 3.32Å; I1309-K1313 VanDerWaalsContact O-CG 3.24Å; I1309-K1313 WeakPolarHBondContact O-CG 3.44Å; I1309-K1313 PolarHBondContact O-N 3.5Å; E1310-K1313 PolarHBondContact O-N 3.44Å; E1310-K1313 WeakPolarHBondContact OE1-CD 3.46Å; E1310-K1313 IonicContact OE1-NZ 3.64Å; E1310-K1313 PolarHBondContact OE1-NZ 2.78Å; E1310-K1313 WeakPolarHBondContact OE2-CD 3.44Å; E1310-K1313 IonicContact OE2-NZ 3.94Å; L1311-K1313 PolarHBondContact O-N 2.78Å; K1313-Q1316 PolarHBondContact O-N 3.45Å; K1313-A1317 VanDerWaalsContact O-CB 3.28Å; K1313-A1317 WeakPolarHBondContact O-CB 3.49Å; K1313-A1317 PolarHBondContact O-N 3.44Å
1314T81.4Confident82.1Confident75 Ų7598.5 Ų98.546%0.4650%0.498SS..Hα-helixtrans-72.5-36.3-179.743.30000112.2E1310 L1311 A1317 N1318E1310-T1314 PolarHBondContact O-N 2.76Å; E1310-T1314 PolarHBondContact O-OG1 2.8Å; L1311-T1314 WeakPolarHBondContact CA-OG1 3.32Å; L1311-T1314 PolarHBondContact O-N 3.38Å; L1311-T1314 PolarHBondContact O-OG1 3Å; T1314-A1317 PolarHBondContact O-N 2.85Å; T1314-N1318 WeakPolarHBondContact O-CB 3.46Å; T1314-N1318 PolarHBondContact O-N 3.1Å; T1314-N1318 PolarHBondContact O-ND2 3.34Å
1315E84.3Confident82.3Confident118 Ų11899.8 Ų99.855%0.55150%0.496SS*.Hα-helixtrans-63.1-44.3168.9-72.3-173.4155.200112.2L1311 N1318 C1319L1311-E1315 HydrophobicContact CD2-CG 4.43Å; L1311-E1315 PolarHBondContact O-N 3.25Å; E1315-N1318 PolarHBondContact O-N 3.08Å; E1315-C1319 WeakPolarHBondContact O-CB 3.07Å; E1315-C1319 PolarHBondContact O-N 3.11Å
1316Q82.9Confident82.4Confident128 Ų12897.1 Ų97.160%0.59849%0.489SS*.Hα-helixtrans-63.3-42.4176.2-171.6178.411.800111.9L1312 K1313 C1319 I1320L1312-Q1316 VanDerWaalsContact O-CB 3.31Å; L1312-Q1316 WeakPolarHBondContact O-CB 3.4Å; L1312-Q1316 PolarHBondContact O-N 3.47Å; K1313-Q1316 PolarHBondContact O-N 3.45Å; Q1316-C1319 PolarHBondContact O-N 2.94Å; Q1316-I1320 HydrophobicContact CG-CD1 4.05Å; Q1316-I1320 WeakPolarHBondContact O-CG1 3.44Å; Q1316-I1320 PolarHBondContact O-N 2.96Å
1317A82.5Confident82.5Confident45 Ų4599.1 Ų99.137%0.37250%0.496SS..Hα-helixtrans-62.7-43.6176.300000112K1313 T1314 I1320 Q1321K1313-A1317 VanDerWaalsContact O-CB 3.28Å; K1313-A1317 WeakPolarHBondContact O-CB 3.49Å; K1313-A1317 PolarHBondContact O-N 3.44Å; T1314-A1317 PolarHBondContact O-N 2.85Å; A1317-I1320 PolarHBondContact O-N 3.15Å; A1317-Q1321 WeakPolarHBondContact O-CG 3.41Å; A1317-Q1321 PolarHBondContact O-N 3.39Å
1318N84.6Confident82.4Confident95 Ų9595 Ų9551%0.50849%0.486SS..Hα-helixtrans-62.6-43.6175.2-72.9-22.8000111.8T1314 E1315 I1320 Q1321 E1322T1314-N1318 WeakPolarHBondContact O-CB 3.46Å; T1314-N1318 PolarHBondContact O-N 3.1Å; T1314-N1318 PolarHBondContact O-ND2 3.34Å; E1315-N1318 PolarHBondContact O-N 3.08Å; N1318-I1320 VanDerWaalsContact C-N 3.35Å; N1318-I1320 PolarHBondContact O-N 3.49Å; N1318-Q1321 PolarHBondContact O-N 3.38Å; N1318-E1322 WeakPolarHBondContact O-CB 3.29Å; N1318-E1322 VanDerWaalsContact O-CG 3.3Å; N1318-E1322 WeakPolarHBondContact O-CG 3.36Å; N1318-E1322 PolarHBondContact O-N 2.91Å
1319C84.1Confident82.5Confident71 Ų7195.4 Ų95.448%0.4849%0.488SS..Hα-helixtrans-63-40177.6-172.80000112.3E1315 Q1316 E1322 M1323E1315-C1319 WeakPolarHBondContact O-CB 3.07Å; E1315-C1319 PolarHBondContact O-N 3.11Å; Q1316-C1319 PolarHBondContact O-N 2.94Å; C1319-E1322 PolarHBondContact O-N 3.34Å; C1319-M1323 PolarHBondContact O-N 3.42Å
1320I82.5Confident82.7Confident86 Ų8696.8 Ų96.844%0.44149%0.491SS..Hα-helixtrans-65.5-45.5173.6-68.8167.5000110.5Q1316 A1317 N1318 E1322 M1323 T1324Q1316-I1320 HydrophobicContact CG-CD1 4.05Å; Q1316-I1320 WeakPolarHBondContact O-CG1 3.44Å; Q1316-I1320 PolarHBondContact O-N 2.96Å; A1317-I1320 PolarHBondContact O-N 3.15Å; N1318-I1320 VanDerWaalsContact C-N 3.35Å; N1318-I1320 PolarHBondContact O-N 3.49Å; I1320-E1322 VanDerWaalsContact C-N 3.34Å; I1320-E1322 PolarHBondContact O-N 3.42Å; I1320-M1323 PolarHBondContact O-N 2.89Å; I1320-T1324 WeakPolarHBondContact O-CB 3.21Å; I1320-T1324 PolarHBondContact O-N 3.3Å; I1320-T1324 PolarHBondContact O-OG1 2.83Å; I1320-T1324 VanDerWaalsContact O-OG1 3.09Å
1321Q82.1Confident82.6Confident132 Ų13297.9 Ų97.962%0.61750%0.499SS*.Hα-helixtrans-59.8-41.4176-76.3-173.33.700112.6A1317 N1318 T1324 R1325A1317-Q1321 WeakPolarHBondContact O-CG 3.41Å; A1317-Q1321 PolarHBondContact O-N 3.39Å; N1318-Q1321 PolarHBondContact O-N 3.38Å; Q1321-T1324 PolarHBondContact O-N 3.35Å; Q1321-R1325 WeakPolarHBondContact O-CB 3.35Å; Q1321-R1325 PolarHBondContact O-N 2.98Å
1322E83.1Confident82.5Confident108 Ų10895.4 Ų95.451%0.50549%0.49SS..Hα-helixtrans-62.2-45.9175.6-73.5-101.68700111.9N1318 C1319 I1320 R1325 E1326N1318-E1322 WeakPolarHBondContact O-CB 3.29Å; N1318-E1322 VanDerWaalsContact O-CG 3.3Å; N1318-E1322 WeakPolarHBondContact O-CG 3.36Å; N1318-E1322 PolarHBondContact O-N 2.91Å; C1319-E1322 PolarHBondContact O-N 3.34Å; I1320-E1322 VanDerWaalsContact C-N 3.34Å; I1320-E1322 PolarHBondContact O-N 3.42Å; E1322-R1325 WeakPolarHBondContact O-CB 3.48Å; E1322-R1325 PolarHBondContact O-N 3.11Å; E1322-R1325 IonicContact OE1-CZ 2.65Å; E1322-R1325 IonicContact OE1-NE 3.33Å; E1322-R1325 PolarHBondContact OE1-NE 2.89Å; E1322-R1325 IonicContact OE1-NH2 2.77Å; E1322-R1325 PolarHBondContact OE1-NH2 2.81Å; E1322-E1326 PolarHBondContact O-N 2.65Å
1323M81.4Confident82.5Confident98 Ų9892.8 Ų92.848%0.48348%0.479SS..Hα-helixtrans-64.1-45.4175.8-74.4-172.1-72.900111.8C1319 I1320 R1325 E1326 F1327C1319-M1323 PolarHBondContact O-N 3.42Å; I1320-M1323 PolarHBondContact O-N 2.89Å; M1323-R1325 VanDerWaalsContact C-N 3.3Å; M1323-R1325 PolarHBondContact O-N 2.91Å; M1323-E1326 PolarHBondContact O-N 3.25Å; M1323-F1327 WeakPolarHBondContact O-CD2 2.97Å; M1323-F1327 PolarHBondContact O-N 3.21Å
1324T82.1Confident82.4Confident92 Ų9294.1 Ų94.156%0.56449%0.485SS*.Hα-helixtrans-60.9-39.6175.4-61.20000111.5I1320 Q1321 F1327 G1328I1320-T1324 WeakPolarHBondContact O-CB 3.21Å; I1320-T1324 PolarHBondContact O-N 3.3Å; I1320-T1324 PolarHBondContact O-OG1 2.83Å; I1320-T1324 VanDerWaalsContact O-OG1 3.09Å; Q1321-T1324 PolarHBondContact O-N 3.35Å; T1324-F1327 PolarHBondContact O-N 2.87Å; T1324-G1328 PolarHBondContact O-N 2.73Å
1325R83.9Confident82.3Confident112 Ų11295.8 Ų95.842%0.42349%0.487SS..Hα-helixtrans-62-44.7174.5-175.8-17663.263.1-5.1111.6Q1321 E1322 M1323 Q1329Q1321-R1325 WeakPolarHBondContact O-CB 3.35Å; Q1321-R1325 PolarHBondContact O-N 2.98Å; E1322-R1325 WeakPolarHBondContact O-CB 3.48Å; E1322-R1325 PolarHBondContact O-N 3.11Å; E1322-R1325 IonicContact OE1-CZ 2.65Å; E1322-R1325 IonicContact OE1-NE 3.33Å; E1322-R1325 PolarHBondContact OE1-NE 2.89Å; E1322-R1325 IonicContact OE1-NH2 2.77Å; E1322-R1325 PolarHBondContact OE1-NH2 2.81Å; M1323-R1325 VanDerWaalsContact C-N 3.3Å; M1323-R1325 PolarHBondContact O-N 2.91Å; R1325-Q1329 WeakPolarHBondContact O-CB 3.38Å; R1325-Q1329 VanDerWaalsContact O-CG 3.28Å; R1325-Q1329 WeakPolarHBondContact O-CG 3.43Å; R1325-Q1329 PolarHBondContact O-N 3.27Å
1326E81.7Confident82.3Confident89 Ų8997.2 Ų97.242%0.41649%0.488SS..Hα-helixtrans-66.4-43.3175.4-82.4-149.7-179.100113.1E1322 M1323 Q1329 K1330E1322-E1326 PolarHBondContact O-N 2.65Å; M1323-E1326 PolarHBondContact O-N 3.25Å; E1326-Q1329 PolarHBondContact O-N 2.9Å; E1326-K1330 WeakPolarHBondContact O-CB 3.5Å; E1326-K1330 WeakPolarHBondContact O-CD 3.38Å; E1326-K1330 VanDerWaalsContact O-CG 3.26Å; E1326-K1330 WeakPolarHBondContact O-CG 3.29Å; E1326-K1330 PolarHBondContact O-N 3.27Å; E1326-K1330 WeakPolarHBondContact OE2-CE 3.23Å; E1326-K1330 IonicContact OE2-NZ 2.73Å; E1326-K1330 PolarHBondContact OE2-NZ 3.48Å
1327F80.1Confident82.3Confident130 Ų13095.5 Ų95.557%0.5748%0.48SS*.Hα-helixtrans-64.7-41.5177.5-80.7-65.4000111.6M1323 T1324 Q1329 K1330 L1331M1323-F1327 WeakPolarHBondContact O-CD2 2.97Å; M1323-F1327 PolarHBondContact O-N 3.21Å; T1324-F1327 PolarHBondContact O-N 2.87Å; F1327-Q1329 PolarHBondContact O-N 2.95Å; F1327-K1330 PolarHBondContact O-N 3.46Å; F1327-L1331 WeakPolarHBondContact O-CB 3.47Å; F1327-L1331 WeakPolarHBondContact O-CG 3.26Å; F1327-L1331 PolarHBondContact O-N 2.82Å
1328G82.4Confident82.2Confident38 Ų3897.8 Ų97.839%0.39249%0.489SS..Hα-helixtrans-61.3-41.2172.800000112.9T1324 S1332T1324-G1328 PolarHBondContact O-N 2.73Å; G1328-S1332 VanDerWaalsContact O-CB 3.25Å; G1328-S1332 WeakPolarHBondContact O-CB 3.27Å; G1328-S1332 PolarHBondContact O-N 3.15Å
1329Q83.5Confident82Confident108 Ų10898.8 Ų98.851%0.50549%0.493SS..Hα-helixtrans-66.2-37.2174.8-75.5176-10.500112.6R1325 E1326 F1327 T1333R1325-Q1329 WeakPolarHBondContact O-CB 3.38Å; R1325-Q1329 VanDerWaalsContact O-CG 3.28Å; R1325-Q1329 WeakPolarHBondContact O-CG 3.43Å; R1325-Q1329 PolarHBondContact O-N 3.27Å; E1326-Q1329 PolarHBondContact O-N 2.9Å; F1327-Q1329 PolarHBondContact O-N 2.95Å; Q1329-T1333 WeakPolarHBondContact O-CB 3.42Å; Q1329-T1333 PolarHBondContact O-N 3.47Å; Q1329-T1333 PolarHBondContact O-OG1 2.77Å
1330K84.7Confident82Confident109 Ų10997.9 Ų97.947%0.47449%0.49SS..Hα-helixtrans-69.8-43.1176.3-71.2163.1-168.2166.40111.7E1326 F1327 T1333 K1334E1326-K1330 WeakPolarHBondContact O-CB 3.5Å; E1326-K1330 WeakPolarHBondContact O-CD 3.38Å; E1326-K1330 VanDerWaalsContact O-CG 3.26Å; E1326-K1330 WeakPolarHBondContact O-CG 3.29Å; E1326-K1330 PolarHBondContact O-N 3.27Å; E1326-K1330 WeakPolarHBondContact OE2-CE 3.23Å; E1326-K1330 IonicContact OE2-NZ 2.73Å; E1326-K1330 PolarHBondContact OE2-NZ 3.48Å; F1327-K1330 PolarHBondContact O-N 3.46Å; K1330-T1333 PolarHBondContact O-N 2.77Å; K1330-K1334 PolarHBondContact O-N 3.22Å
1331L75.8Confident81.9Confident107 Ų107100.2 Ų100.256%0.5650%0.499SS*.Hα-helixtrans-60.1-55.6172.9-78.2165.1000111.2F1327 T1333 K1334 E1335F1327-L1331 WeakPolarHBondContact O-CB 3.47Å; F1327-L1331 WeakPolarHBondContact O-CG 3.26Å; F1327-L1331 PolarHBondContact O-N 2.82Å; L1331-T1333 PolarHBondContact O-N 3.35Å; L1331-K1334 CarbonylContact O-C 3.57Å; L1331-K1334 WeakPolarHBondContact O-CA 3.34Å; L1331-K1334 PolarHBondContact O-N 3.22Å; L1331-E1335 WeakPolarHBondContact O-CG 3.38Å; L1331-E1335 PolarHBondContact O-N 3.29Å
1332S81.4Confident81.9Confident48 Ų4898.3 Ų98.334%0.33649%0.49SS..Hα-helixtrans-57.3-27.5177.7177.20000113.7G1328 E1335 R1336G1328-S1332 VanDerWaalsContact O-CB 3.25Å; G1328-S1332 WeakPolarHBondContact O-CB 3.27Å; G1328-S1332 PolarHBondContact O-N 3.15Å; S1332-E1335 WeakPolarHBondContact CA-OE2 3.33Å; S1332-R1336 WeakPolarHBondContact O-CG 3.44Å; S1332-R1336 PolarHBondContact O-N 2.78Å; S1332-R1336 PolarHBondContact O-NE 2.74Å; S1332-R1336 PolarHBondContact O-NH2 3.18Å
1333T84Confident82Confident59 Ų5999.4 Ų99.436%0.36249%0.493SS..Hα-helixtrans-76-44.5173.4-560000111.2Q1329 K1330 L1331 R1336 E1337Q1329-T1333 WeakPolarHBondContact O-CB 3.42Å; Q1329-T1333 PolarHBondContact O-N 3.47Å; Q1329-T1333 PolarHBondContact O-OG1 2.77Å; K1330-T1333 PolarHBondContact O-N 2.77Å; L1331-T1333 PolarHBondContact O-N 3.35Å; T1333-R1336 PolarHBondContact O-N 3.24Å; T1333-R1336 PolarHBondContact OG1-NH2 3.25Å; T1333-E1337 WeakPolarHBondContact O-CG 3.45Å; T1333-E1337 PolarHBondContact O-N 3Å
1334K82.1Confident82.3Confident129 Ų12999 Ų9956%0.56149%0.492SS*.Hα-helixtrans-67-36.5176-86.7-72169.6-161.20113.8K1330 L1331 E1337 V1338K1330-K1334 PolarHBondContact O-N 3.22Å; L1331-K1334 CarbonylContact O-C 3.57Å; L1331-K1334 WeakPolarHBondContact O-CA 3.34Å; L1331-K1334 PolarHBondContact O-N 3.22Å; K1334-E1337 WeakPolarHBondContact CD-OE2 3.16Å; K1334-E1337 VanDerWaalsContact CE-OE2 3.3Å; K1334-E1337 WeakPolarHBondContact CE-OE2 3.28Å; K1334-E1337 IonicContact NZ-OE2 2.65Å; K1334-E1337 PolarHBondContact NZ-OE2 2.92Å; K1334-E1337 PolarHBondContact O-N 2.77Å; K1334-V1338 WeakPolarHBondContact O-CG2 3.28Å; K1334-V1338 PolarHBondContact O-N 3.21Å
1335E79.3Confident82.2Confident110 Ų11099.9 Ų99.951%0.51449%0.49SS..Hα-helixtrans-59.1-47.2172-71.8163.2176.700110.8L1331 S1332 E1337 V1338 I1339L1331-E1335 WeakPolarHBondContact O-CG 3.38Å; L1331-E1335 PolarHBondContact O-N 3.29Å; S1332-E1335 WeakPolarHBondContact CA-OE2 3.33Å; E1335-E1337 PolarHBondContact O-N 3.43Å; E1335-V1338 PolarHBondContact O-N 3.21Å; E1335-I1339 WeakPolarHBondContact O-CB 3.5Å; E1335-I1339 WeakPolarHBondContact O-CD1 2.91Å; E1335-I1339 VanDerWaalsContact O-CG1 3.24Å; E1335-I1339 WeakPolarHBondContact O-CG1 3.43Å; E1335-I1339 PolarHBondContact O-N 3.02Å
1336R83.5Confident81.9Confident148 Ų14898.5 Ų98.556%0.55849%0.491SS*.Hα-helixtrans-64.8-35.6175.9-78.3177.7-72.7148.21.5113.2S1332 T1333 A1340S1332-R1336 WeakPolarHBondContact O-CG 3.44Å; S1332-R1336 PolarHBondContact O-N 2.78Å; S1332-R1336 PolarHBondContact O-NE 2.74Å; S1332-R1336 PolarHBondContact O-NH2 3.18Å; T1333-R1336 PolarHBondContact O-N 3.24Å; T1333-R1336 PolarHBondContact OG1-NH2 3.25Å; R1336-A1340 VanDerWaalsContact O-CB 3.29Å; R1336-A1340 WeakPolarHBondContact O-CB 3.29Å; R1336-A1340 PolarHBondContact O-N 3.36Å
1337E83.1Confident82Confident92 Ų9298.1 Ų98.143%0.4349%0.492SS..Hα-helixtrans-64.7-45172.1-73.7174.9-159.900112T1333 K1334 E1335 A1340 Q1341T1333-E1337 WeakPolarHBondContact O-CG 3.45Å; T1333-E1337 PolarHBondContact O-N 3Å; K1334-E1337 WeakPolarHBondContact CD-OE2 3.16Å; K1334-E1337 VanDerWaalsContact CE-OE2 3.3Å; K1334-E1337 WeakPolarHBondContact CE-OE2 3.28Å; K1334-E1337 IonicContact NZ-OE2 2.65Å; K1334-E1337 PolarHBondContact NZ-OE2 2.92Å; K1334-E1337 PolarHBondContact O-N 2.77Å; E1335-E1337 PolarHBondContact O-N 3.43Å; E1337-A1340 PolarHBondContact O-N 3.25Å; E1337-Q1341 WeakPolarHBondContact O-CB 3.43Å; E1337-Q1341 PolarHBondContact O-N 2.92Å
1338V80.2Confident82.2Confident93 Ų9397.2 Ų97.256%0.56449%0.489SS*.Hα-helixtrans-65.1-43.4177.6170.90000111.4K1334 E1335 A1340 Q1341 Q1342K1334-V1338 WeakPolarHBondContact O-CG2 3.28Å; K1334-V1338 PolarHBondContact O-N 3.21Å; E1335-V1338 PolarHBondContact O-N 3.21Å; V1338-A1340 VanDerWaalsContact C-N 3.32Å; V1338-A1340 PolarHBondContact O-N 3.21Å; V1338-Q1341 PolarHBondContact O-N 2.97Å; V1338-Q1342 WeakPolarHBondContact O-CB 3.46Å; V1338-Q1342 PolarHBondContact O-N 3.36Å
1339I82Confident82Confident116 Ų11698.6 Ų98.660%0.59549%0.49SS*.Hα-helixtrans-62.4-39.8175.8-68.7163.8000111E1335 K1343E1335-I1339 WeakPolarHBondContact O-CB 3.5Å; E1335-I1339 WeakPolarHBondContact O-CD1 2.91Å; E1335-I1339 VanDerWaalsContact O-CG1 3.24Å; E1335-I1339 WeakPolarHBondContact O-CG1 3.43Å; E1335-I1339 PolarHBondContact O-N 3.02Å; I1339-K1343 WeakPolarHBondContact O-CB 3.48Å; I1339-K1343 PolarHBondContact O-N 2.99Å
1340A83.8Confident82Confident51 Ų5197.6 Ų97.642%0.42149%0.488SS..Hα-helixtrans-65.9-41.517500000112.1R1336 E1337 V1338 K1343 I1344R1336-A1340 VanDerWaalsContact O-CB 3.29Å; R1336-A1340 WeakPolarHBondContact O-CB 3.29Å; R1336-A1340 PolarHBondContact O-N 3.36Å; E1337-A1340 PolarHBondContact O-N 3.25Å; V1338-A1340 VanDerWaalsContact C-N 3.32Å; V1338-A1340 PolarHBondContact O-N 3.21Å; A1340-K1343 PolarHBondContact O-N 3.4Å; A1340-I1344 WeakPolarHBondContact O-CG1 3.33Å; A1340-I1344 PolarHBondContact O-N 3.46Å; A1340-I1344 VanDerWaalsContact O-N 3.13Å
1341Q79.7Confident81.8Confident136 Ų13696.1 Ų96.164%0.63649%0.488SS*.Hα-helixtrans-62.6-49176.5-158.376.815.200111.2E1337 V1338 K1343 I1344 E1345E1337-Q1341 WeakPolarHBondContact O-CB 3.43Å; E1337-Q1341 PolarHBondContact O-N 2.92Å; V1338-Q1341 PolarHBondContact O-N 2.97Å; Q1341-K1343 VanDerWaalsContact C-N 3.31Å; Q1341-K1343 PolarHBondContact O-N 2.82Å; Q1341-I1344 PolarHBondContact O-N 2.79Å; Q1341-E1345 PolarHBondContact O-N 3.24Å
1342Q82.7Confident82.2Confident91 Ų9197.2 Ų97.243%0.42549%0.488SS..Hα-helixtrans-61.8-38177.9-170.165.567.400111.8V1338 E1345 N1346V1338-Q1342 WeakPolarHBondContact O-CB 3.46Å; V1338-Q1342 PolarHBondContact O-N 3.36Å; Q1342-E1345 PolarHBondContact O-N 2.76Å; Q1342-N1346 PolarHBondContact NE2-OD1 2.66Å; Q1342-N1346 WeakPolarHBondContact O-CB 3.41Å; Q1342-N1346 PolarHBondContact O-N 2.81Å; Q1342-N1346 PolarHBondContact O-OD1 3.33Å; Q1342-N1346 VanDerWaalsContact O-OD1 3.12Å
1343K85.5Confident81.9Confident132 Ų13299.2 Ų99.257%0.57450%0.495SS*.Hα-helixtrans-63.1-43.9175.7-176172.4-179.8176.50111.9I1339 A1340 Q1341 E1345 N1346 D1347I1339-K1343 WeakPolarHBondContact O-CB 3.48Å; I1339-K1343 PolarHBondContact O-N 2.99Å; A1340-K1343 PolarHBondContact O-N 3.4Å; Q1341-K1343 VanDerWaalsContact C-N 3.31Å; Q1341-K1343 PolarHBondContact O-N 2.82Å; K1343-E1345 VanDerWaalsContact C-N 3.29Å; K1343-E1345 PolarHBondContact O-N 3.35Å; K1343-N1346 PolarHBondContact O-N 2.78Å; K1343-D1347 WeakPolarHBondContact O-CB 3.42Å; K1343-D1347 PolarHBondContact O-N 3.12Å
1344I86.9Confident81.8Confident90 Ų90102.2 Ų102.246%0.46250%0.503SS..Hα-helixtrans-63-38.1177.4-68.7165000111.1A1340 Q1341 Q1348A1340-I1344 WeakPolarHBondContact O-CG1 3.33Å; A1340-I1344 PolarHBondContact O-N 3.46Å; A1340-I1344 VanDerWaalsContact O-N 3.13Å; Q1341-I1344 PolarHBondContact O-N 2.79Å; I1344-Q1348 VanDerWaalsContact O-CG 3.31Å; I1344-Q1348 WeakPolarHBondContact O-CG 3.23Å; I1344-Q1348 PolarHBondContact O-N 2.75Å; I1344-Q1348 VanDerWaalsContact O-N 3.15Å
1345E80.1Confident81.8Confident110 Ų110102.1 Ų102.151%0.51450%0.504SS..Hα-helixtrans-67.4-44.4175.3-173.2161.6-144.800111.9Q1341 Q1342 K1343 D1347 Q1348 T1349Q1341-E1345 PolarHBondContact O-N 3.24Å; Q1342-E1345 PolarHBondContact O-N 2.76Å; K1343-E1345 VanDerWaalsContact C-N 3.29Å; K1343-E1345 PolarHBondContact O-N 3.35Å; E1345-D1347 PolarHBondContact O-N 2.97Å; E1345-Q1348 WeakPolarHBondContact O-CB 3.45Å; E1345-Q1348 PolarHBondContact O-N 2.66Å; E1345-Q1348 VanDerWaalsContact O-N 3.16Å; E1345-T1349 PolarHBondContact O-N 3.38Å; E1345-T1349 PolarHBondContact O-OG1 3.31Å
1346N78.2Confident81.7Confident82 Ų82101.1 Ų101.144%0.43950%0.501SS..Hα-helixtrans-63.5-40.7176.2-68.37.1000112.4Q1342 K1343 Q1348 T1349 L1350Q1342-N1346 PolarHBondContact NE2-OD1 2.66Å; Q1342-N1346 WeakPolarHBondContact O-CB 3.41Å; Q1342-N1346 PolarHBondContact O-N 2.81Å; Q1342-N1346 PolarHBondContact O-OD1 3.33Å; Q1342-N1346 VanDerWaalsContact O-OD1 3.12Å; K1343-N1346 PolarHBondContact O-N 2.78Å; N1346-Q1348 VanDerWaalsContact C-N 3.27Å; N1346-Q1348 PolarHBondContact O-N 3.39Å; N1346-T1349 WeakPolarHBondContact CA-OG1 3.31Å; N1346-T1349 PolarHBondContact O-N 3.34Å; N1346-T1349 PolarHBondContact O-OG1 2.98Å; N1346-T1349 VanDerWaalsContact O-OG1 3.07Å; N1346-L1350 VanDerWaalsContact O-CB 3.26Å; N1346-L1350 WeakPolarHBondContact O-CB 3.47Å; N1346-L1350 PolarHBondContact O-N 3.48Å
1347D83.9Confident81.4Confident82 Ų8299.2 Ų99.244%0.43950%0.498SS..Hα-helixtrans-64.3-33.5175.3-73.4-27.8000111K1343 E1345 T1351K1343-D1347 WeakPolarHBondContact O-CB 3.42Å; K1343-D1347 PolarHBondContact O-N 3.12Å; E1345-D1347 PolarHBondContact O-N 2.97Å; D1347-T1351 WeakPolarHBondContact O-CB 3.45Å; D1347-T1351 PolarHBondContact O-N 2.8Å; D1347-T1351 VanDerWaalsContact O-N 3.13Å; D1347-T1351 PolarHBondContact O-OG1 3.15Å
1348Q82.9Confident81.3Confident111 Ų111100.5 Ų100.552%0.51950%0.504SS..Hα-helixtrans-73.4-41.9174.2-74.2178.541.300113.3I1344 E1345 N1346 T1351 K1352I1344-Q1348 VanDerWaalsContact O-CG 3.31Å; I1344-Q1348 WeakPolarHBondContact O-CG 3.23Å; I1344-Q1348 PolarHBondContact O-N 2.75Å; I1344-Q1348 VanDerWaalsContact O-N 3.15Å; E1345-Q1348 WeakPolarHBondContact O-CB 3.45Å; E1345-Q1348 PolarHBondContact O-N 2.66Å; E1345-Q1348 VanDerWaalsContact O-N 3.16Å; N1346-Q1348 VanDerWaalsContact C-N 3.27Å; N1346-Q1348 PolarHBondContact O-N 3.39Å; Q1348-T1351 PolarHBondContact O-N 3.43Å; Q1348-K1352 WeakPolarHBondContact O-CG 3.33Å; Q1348-K1352 PolarHBondContact O-N 3.02Å
1349T80Confident81.4Confident67 Ų6798.6 Ų98.641%0.41150%0.495SS..Hα-helixtrans-67.4-40.4176.655.70000111.4E1345 N1346 T1351 K1352 L1353E1345-T1349 PolarHBondContact O-N 3.38Å; E1345-T1349 PolarHBondContact O-OG1 3.31Å; N1346-T1349 WeakPolarHBondContact CA-OG1 3.31Å; N1346-T1349 PolarHBondContact O-N 3.34Å; N1346-T1349 PolarHBondContact O-OG1 2.98Å; N1346-T1349 VanDerWaalsContact O-OG1 3.07Å; T1349-T1351 VanDerWaalsContact C-N 3.29Å; T1349-T1351 PolarHBondContact O-N 2.77Å; T1349-K1352 PolarHBondContact O-N 2.82Å; T1349-L1353 PolarHBondContact O-N 2.88Å
1350L81.7Confident81.3Confident87 Ų8795.5 Ų95.546%0.45548%0.478SS..Hα-helixtrans-61.2-36.7173.2-176.961.7000112.3N1346 K1354N1346-L1350 VanDerWaalsContact O-CB 3.26Å; N1346-L1350 WeakPolarHBondContact O-CB 3.47Å; N1346-L1350 PolarHBondContact O-N 3.48Å; L1350-K1354 WeakPolarHBondContact O-CG 3.42Å; L1350-K1354 PolarHBondContact O-N 2.9Å; L1350-K1354 VanDerWaalsContact O-N 3.1Å
1351T82.1Confident81.2Confident77 Ų7796.6 Ų96.647%0.47248%0.482SS..Hα-helixtrans-67.4-41.7175.2-59.10000111.7D1347 Q1348 T1349 Q1355D1347-T1351 WeakPolarHBondContact O-CB 3.45Å; D1347-T1351 PolarHBondContact O-N 2.8Å; D1347-T1351 VanDerWaalsContact O-N 3.13Å; D1347-T1351 PolarHBondContact O-OG1 3.15Å; Q1348-T1351 PolarHBondContact O-N 3.43Å; T1349-T1351 VanDerWaalsContact C-N 3.29Å; T1349-T1351 PolarHBondContact O-N 2.77Å; T1351-Q1355 WeakPolarHBondContact O-CG 3.45Å; T1351-Q1355 PolarHBondContact O-N 3.26Å
1352K83.5Confident81.3Confident131 Ų13195.7 Ų95.757%0.5748%0.478SS*.Hα-helixtrans-65.2-41.4174.6-70.4173.3-178.41760112.1Q1348 T1349 Q1355 M1356Q1348-K1352 WeakPolarHBondContact O-CG 3.33Å; Q1348-K1352 PolarHBondContact O-N 3.02Å; T1349-K1352 PolarHBondContact O-N 2.82Å; K1352-Q1355 PolarHBondContact O-N 3.14Å; K1352-M1356 PolarHBondContact O-N 3.41Å
1353L74.8Confident81.2Confident90 Ų9094.7 Ų94.747%0.47147%0.472SS..Hα-helixtrans-58-50.4175.6-94.2163.2000111.2T1349 Q1355 M1356 E1357T1349-L1353 PolarHBondContact O-N 2.88Å; L1353-Q1355 VanDerWaalsContact C-N 3.29Å; L1353-Q1355 PolarHBondContact O-N 2.98Å; L1353-M1356 CarbonylContact O-C 3.57Å; L1353-M1356 WeakPolarHBondContact O-CA 3.06Å; L1353-M1356 WeakPolarHBondContact O-CB 3.45Å; L1353-M1356 PolarHBondContact O-N 2.83Å; L1353-E1357 WeakPolarHBondContact O-CG 3.48Å; L1353-E1357 PolarHBondContact O-N 3.07Å
1354K82.8Confident80.7Confident122 Ų12291.7 Ų91.753%0.5346%0.462SS..Hα-helixtrans-60.8-34.6178.4-73.1-179.1177.3-176.10113.9L1350 E1357 Q1358L1350-K1354 WeakPolarHBondContact O-CG 3.42Å; L1350-K1354 PolarHBondContact O-N 2.9Å; L1350-K1354 VanDerWaalsContact O-N 3.1Å; K1354-E1357 WeakPolarHBondContact CA-OE2 3.18Å; K1354-Q1358 WeakPolarHBondContact O-CB 3.38Å; K1354-Q1358 PolarHBondContact O-N 3.49Å
1355Q80.6Confident80.4Confident126 Ų12690 Ų9059%0.58946%0.462SS*.Hα-helixtrans-67.7-36.6173.3-71.7173.8-12.400111.9T1351 K1352 L1353 S1359T1351-Q1355 WeakPolarHBondContact O-CG 3.45Å; T1351-Q1355 PolarHBondContact O-N 3.26Å; K1352-Q1355 PolarHBondContact O-N 3.14Å; L1353-Q1355 VanDerWaalsContact C-N 3.29Å; L1353-Q1355 PolarHBondContact O-N 2.98Å; Q1355-S1359 PolarHBondContact O-N 3.17Å; Q1355-S1359 VanDerWaalsContact O-N 3.08Å
1356M77.9Confident80.5Confident89 Ų8991.9 Ų91.944%0.43847%0.465SS..Hα-helixtrans-70.7-44.9176-161.4-171.6-6000111.8K1352 L1353 Q1358 S1359 H1360 L1525K1352-M1356 PolarHBondContact O-N 3.41Å; L1353-M1356 CarbonylContact O-C 3.57Å; L1353-M1356 WeakPolarHBondContact O-CA 3.06Å; L1353-M1356 WeakPolarHBondContact O-CB 3.45Å; L1353-M1356 PolarHBondContact O-N 2.83Å; M1356-Q1358 PolarHBondContact O-N 2.85Å; M1356-S1359 PolarHBondContact O-N 3.42Å; M1356-H1360 VanDerWaalsContact CG-CE1 3.48Å; M1356-H1360 WeakPolarHBondContact CG-CE1 3.36Å; M1356-H1360 VanDerWaalsContact O-CG 3.26Å; M1356-H1360 PolarHBondContact O-N 3.42Å; M1356-L1525 HydrophobicContact SD-CD2 3.9Å
1357E77.2Confident80.6Confident108 Ų10890 Ų9051%0.50545%0.453SS..Hα-helixtrans-57.4-44.9173.7-70.9172.6154.400112.2L1353 K1354 H1360 S1361L1353-E1357 WeakPolarHBondContact O-CG 3.48Å; L1353-E1357 PolarHBondContact O-N 3.07Å; K1354-E1357 WeakPolarHBondContact CA-OE2 3.18Å; E1357-H1360 PolarHBondContact O-N 2.86Å; E1357-S1361 WeakPolarHBondContact O-CB 3.28Å; E1357-S1361 PolarHBondContact O-N 2.82Å; E1357-S1361 PolarHBondContact O-OG 3.47Å
1358Q81.4Confident80.5Confident120 Ų12092.4 Ų92.456%0.56146%0.462SS*.Hα-helixtrans-61.9-47174.4-175.1-179.7-25.900111.2K1354 M1356 H1360 S1361 E1362K1354-Q1358 WeakPolarHBondContact O-CB 3.38Å; K1354-Q1358 PolarHBondContact O-N 3.49Å; M1356-Q1358 PolarHBondContact O-N 2.85Å; Q1358-H1360 VanDerWaalsContact C-N 3.32Å; Q1358-H1360 PolarHBondContact O-N 3.37Å; Q1358-S1361 WeakPolarHBondContact O-CB 3.26Å; Q1358-S1361 PolarHBondContact O-N 3.49Å; Q1358-S1361 VanDerWaalsContact O-N 3.15Å; Q1358-E1362 WeakPolarHBondContact CG-OE1 3.37Å; Q1358-E1362 PolarHBondContact NE2-OE1 3.27Å; Q1358-E1362 WeakPolarHBondContact O-CG 3.46Å; Q1358-E1362 PolarHBondContact O-N 2.78Å
1359S81.3Confident80.5Confident52 Ų5293.7 Ų93.736%0.36447%0.468SS..Hα-helixtrans-61.5-39.7178.3-171.90000112.3Q1355 M1356 E1362 K1363Q1355-S1359 PolarHBondContact O-N 3.17Å; Q1355-S1359 VanDerWaalsContact O-N 3.08Å; M1356-S1359 PolarHBondContact O-N 3.42Å; S1359-E1362 PolarHBondContact O-N 3.15Å; S1359-K1363 WeakPolarHBondContact O-CG 3.32Å; S1359-K1363 PolarHBondContact O-N 3.34Å; S1359-K1363 VanDerWaalsContact O-N 3.1Å
1360H80.5Confident80.6Confident52 Ų5292.6 Ų92.624%0.24146%0.461CS..Hα-helixtrans-67.2-36.8175.2-63.9166.7000112.4M1356 E1357 Q1358 K1363 L1364M1356-H1360 VanDerWaalsContact CG-CE1 3.48Å; M1356-H1360 WeakPolarHBondContact CG-CE1 3.36Å; M1356-H1360 VanDerWaalsContact O-CG 3.26Å; M1356-H1360 PolarHBondContact O-N 3.42Å; E1357-H1360 PolarHBondContact O-N 2.86Å; Q1358-H1360 VanDerWaalsContact C-N 3.32Å; Q1358-H1360 PolarHBondContact O-N 3.37Å; H1360-K1363 PolarHBondContact O-N 2.78Å; H1360-L1364 WeakPolarHBondContact O-CB 3.47Å; H1360-L1364 VanDerWaalsContact O-CG 3.29Å; H1360-L1364 WeakPolarHBondContact O-CG 3.5Å; H1360-L1364 PolarHBondContact O-N 3.48Å
1361S80.8Confident80.4Confident74 Ų7493.2 Ų93.252%0.51746%0.464SS..Hα-helixtrans-64.3-42.9175.4-56.60000111.9E1357 Q1358 K1363 L1364 A1365E1357-S1361 WeakPolarHBondContact O-CB 3.28Å; E1357-S1361 PolarHBondContact O-N 2.82Å; E1357-S1361 PolarHBondContact O-OG 3.47Å; Q1358-S1361 WeakPolarHBondContact O-CB 3.26Å; Q1358-S1361 PolarHBondContact O-N 3.49Å; Q1358-S1361 VanDerWaalsContact O-N 3.15Å; S1361-K1363 PolarHBondContact O-N 3.01Å; S1361-L1364 PolarHBondContact O-N 3.08Å; S1361-A1365 PolarHBondContact O-N 2.8Å; S1361-A1365 VanDerWaalsContact O-N 3.08Å
1362E82.6Confident80.4Confident116 Ų11692.6 Ų92.654%0.54246%0.462SS..Hα-helixtrans-62.7-39.6176-72.1170.7-169.800112Q1358 S1359 Y1366Q1358-E1362 WeakPolarHBondContact CG-OE1 3.37Å; Q1358-E1362 PolarHBondContact NE2-OE1 3.27Å; Q1358-E1362 WeakPolarHBondContact O-CG 3.46Å; Q1358-E1362 PolarHBondContact O-N 2.78Å; S1359-E1362 PolarHBondContact O-N 3.15Å; E1362-Y1366 PolarHBondContact O-N 3.33Å
1363K80Confident80.3Confident71 Ų7190 Ų9031%0.30946%0.455SS..Hα-helixtrans-70.2-42174.3-67.8-172.4-165.5171.50113.4S1359 H1360 S1361 A1365 Y1366 F1367 E1521S1359-K1363 WeakPolarHBondContact O-CG 3.32Å; S1359-K1363 PolarHBondContact O-N 3.34Å; S1359-K1363 VanDerWaalsContact O-N 3.1Å; H1360-K1363 PolarHBondContact O-N 2.78Å; S1361-K1363 PolarHBondContact O-N 3.01Å; K1363-A1365 VanDerWaalsContact C-N 3.32Å; K1363-A1365 PolarHBondContact O-N 2.84Å; K1363-Y1366 WeakPolarHBondContact O-CB 3.48Å; K1363-Y1366 PolarHBondContact O-N 3.24Å; K1363-Y1366 VanDerWaalsContact O-N 3.15Å; K1363-F1367 HydrophobicContact CB-CD2 4.46Å; K1363-F1367 HydrophobicContact CB-CE2 3.93Å; K1363-F1367 WeakPolarHBondContact O-CD2 3.4Å; K1363-F1367 WeakPolarHBondContact O-CG 3.3Å; K1363-F1367 PolarHBondContact O-N 3.11Å; K1363-E1521 WeakPolarHBondContact CD-OE1 3.43Å; K1363-E1521 WeakPolarHBondContact CE-OE1 3.34Å; K1363-E1521 IonicContact NZ-OE1 3.37Å; K1363-E1521 PolarHBondContact NZ-OE1 3.39Å
1364L75.3Confident80.6Confident69 Ų6992.6 Ų92.636%0.36146%0.459SS..Hα-helixtrans-59.7-43.6178-76.7169.6000111H1360 S1361 Y1366 F1367 E1368 R1518H1360-L1364 WeakPolarHBondContact O-CB 3.47Å; H1360-L1364 VanDerWaalsContact O-CG 3.29Å; H1360-L1364 WeakPolarHBondContact O-CG 3.5Å; H1360-L1364 PolarHBondContact O-N 3.48Å; S1361-L1364 PolarHBondContact O-N 3.08Å; L1364-Y1366 VanDerWaalsContact C-N 3.33Å; L1364-Y1366 PolarHBondContact O-N 2.94Å; L1364-F1367 PolarHBondContact O-N 3.17Å; L1364-F1367 VanDerWaalsContact O-N 3.12Å; L1364-E1368 WeakPolarHBondContact O-CG 3.21Å; L1364-E1368 PolarHBondContact O-N 3.02Å; L1364-R1518 HydrophobicContact CD2-CG 4.31Å
1365A81Confident80.4Confident55 Ų5591.1 Ų91.146%0.45546%0.457SS..Hα-helixtrans-58.5-41.9174.200000112.6S1361 K1363 F1367 E1368 E1369S1361-A1365 PolarHBondContact O-N 2.8Å; S1361-A1365 VanDerWaalsContact O-N 3.08Å; K1363-A1365 VanDerWaalsContact C-N 3.32Å; K1363-A1365 PolarHBondContact O-N 2.84Å; A1365-F1367 VanDerWaalsContact C-N 3.35Å; A1365-F1367 PolarHBondContact O-N 3.42Å; A1365-E1368 PolarHBondContact O-N 3.03Å; A1365-E1369 PolarHBondContact O-N 3.02Å
1366Y82.4Confident80.5Confident149 Ų14992.4 Ų92.458%0.58446%0.457SS*.Hα-helixtrans-63.4-37.5174.8175-105.2000112.8E1362 K1363 L1364 T1370E1362-Y1366 PolarHBondContact O-N 3.33Å; K1363-Y1366 WeakPolarHBondContact O-CB 3.48Å; K1363-Y1366 PolarHBondContact O-N 3.24Å; K1363-Y1366 VanDerWaalsContact O-N 3.15Å; L1364-Y1366 VanDerWaalsContact C-N 3.33Å; L1364-Y1366 PolarHBondContact O-N 2.94Å; Y1366-T1370 WeakPolarHBondContact O-CB 3.18Å; Y1366-T1370 PolarHBondContact O-N 3.07Å; Y1366-T1370 PolarHBondContact O-OG1 3.33Å
1367F80.2Confident80.7Confident43 Ų4392.8 Ų92.819%0.18946%0.457CS..Hα-helixtrans-73.2-34.2175.5-59.8-46.7000112.8K1363 L1364 A1365 T1370 I1371 I1517 E1521K1363-F1367 HydrophobicContact CB-CD2 4.46Å; K1363-F1367 HydrophobicContact CB-CE2 3.93Å; K1363-F1367 WeakPolarHBondContact O-CD2 3.4Å; K1363-F1367 WeakPolarHBondContact O-CG 3.3Å; K1363-F1367 PolarHBondContact O-N 3.11Å; L1364-F1367 PolarHBondContact O-N 3.17Å; L1364-F1367 VanDerWaalsContact O-N 3.12Å; A1365-F1367 VanDerWaalsContact C-N 3.35Å; A1365-F1367 PolarHBondContact O-N 3.42Å; F1367-T1370 PolarHBondContact O-N 3.04Å; F1367-I1371 WeakPolarHBondContact O-CB 3.18Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.4Å; F1367-I1371 VanDerWaalsContact O-CG1 3.23Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.28Å; F1367-I1371 PolarHBondContact O-N 3.31Å; F1367-I1517 HydrophobicContact CD1-CD1 4.03Å; F1367-I1517 HydrophobicContact CD1-CG2 3.86Å; F1367-I1517 HydrophobicContact CD2-CG2 3.57Å; F1367-I1517 HydrophobicContact CE1-CD1 3.93Å; F1367-I1517 HydrophobicContact CE1-CG2 3.64Å; F1367-I1517 HydrophobicContact CE2-CG2 3.33Å; F1367-I1517 HydrophobicContact CG-CG2 3.84Å; F1367-I1517 HydrophobicContact CZ-CG2 3.37Å; F1367-E1521 WeakPolarHBondContact CE2-OE2 3.43Å
1368E80.5Confident80.7Confident132 Ų13291.8 Ų91.862%0.61746%0.456SS*.Hα-helixtrans-65.3-40.1173.1-73.1-179.6168.400112.3L1364 A1365 S1372L1364-E1368 WeakPolarHBondContact O-CG 3.21Å; L1364-E1368 PolarHBondContact O-N 3.02Å; A1365-E1368 PolarHBondContact O-N 3.03Å; E1368-S1372 VanDerWaalsContact O-CB 3.32Å; E1368-S1372 WeakPolarHBondContact O-CB 3.42Å; E1368-S1372 PolarHBondContact O-N 3.01Å; E1368-S1372 PolarHBondContact O-OG 2.99Å
1369E83.6Confident80.7Confident137 Ų13789.8 Ų89.864%0.6445%0.452SS*.Hα-helixtrans-63.8-45.1171.3-176.5168.8-143.200111.2A1365 I1371 S1372 D1373A1365-E1369 PolarHBondContact O-N 3.02Å; E1369-I1371 PolarHBondContact O-N 3.22Å; E1369-S1372 WeakPolarHBondContact O-CB 3.42Å; E1369-S1372 PolarHBondContact O-N 3.38Å; E1369-D1373 PolarHBondContact O-N 3.11Å
1370T82Confident80.8Confident44 Ų4495.9 Ų95.927%0.2747%0.467SS..Hα-helixtrans-61.7-43.6178.4-59.50000112.1Y1366 F1367 D1373 Y1374Y1366-T1370 WeakPolarHBondContact O-CB 3.18Å; Y1366-T1370 PolarHBondContact O-N 3.07Å; Y1366-T1370 PolarHBondContact O-OG1 3.33Å; F1367-T1370 PolarHBondContact O-N 3.04Å; T1370-D1373 PolarHBondContact O-N 2.91Å; T1370-Y1374 HydrophobicContact CG2-CD2 3.98Å; T1370-Y1374 HydrophobicContact CG2-CE2 3.75Å; T1370-Y1374 VanDerWaalsContact O-CD2 3.24Å; T1370-Y1374 WeakPolarHBondContact O-CD2 3.08Å; T1370-Y1374 PolarHBondContact O-N 3.06Å
1371I77.9Confident80.6Confident101 Ų10198.3 Ų98.352%0.51848%0.481SS..Hα-helixtrans-64.8-42.9175.4-70.7164.6000110.4F1367 E1369 D1373 Y1374 D1375F1367-I1371 WeakPolarHBondContact O-CB 3.18Å; F1367-I1371 WeakPolarHBondContact O-CD1 3.4Å; F1367-I1371 VanDerWaalsContact O-CG1 3.23Å; F1367-I1371 WeakPolarHBondContact O-CG1 3.28Å; F1367-I1371 PolarHBondContact O-N 3.31Å; E1369-I1371 PolarHBondContact O-N 3.22Å; I1371-D1373 VanDerWaalsContact C-N 3.26Å; I1371-D1373 PolarHBondContact O-N 2.83Å; I1371-Y1374 PolarHBondContact O-N 3.08Å; I1371-Y1374 VanDerWaalsContact O-N 3.13Å; I1371-D1375 PolarHBondContact O-N 2.76Å
1372S82.2Confident80.6Confident63 Ų63102.1 Ų102.144%0.44149%0.489SS..Hα-helixtrans-58.7-36.9176.7-63.60000112.5E1368 E1369 D1375 R1376E1368-S1372 VanDerWaalsContact O-CB 3.32Å; E1368-S1372 WeakPolarHBondContact O-CB 3.42Å; E1368-S1372 PolarHBondContact O-N 3.01Å; E1368-S1372 PolarHBondContact O-OG 2.99Å; E1369-S1372 WeakPolarHBondContact O-CB 3.42Å; E1369-S1372 PolarHBondContact O-N 3.38Å; S1372-D1375 PolarHBondContact O-N 2.94Å; S1372-R1376 WeakPolarHBondContact O-CD 3.28Å; S1372-R1376 VanDerWaalsContact O-CG 3.26Å; S1372-R1376 WeakPolarHBondContact O-CG 3.45Å; S1372-R1376 PolarHBondContact O-N 3.33Å
1373D81.7Confident80.6Confident78 Ų78101.2 Ų101.242%0.41749%0.487SS..Hα-helixtrans-78.8-29177.2-120.738.6000113E1369 T1370 I1371 R1376 Q1377E1369-D1373 PolarHBondContact O-N 3.11Å; T1370-D1373 PolarHBondContact O-N 2.91Å; I1371-D1373 VanDerWaalsContact C-N 3.26Å; I1371-D1373 PolarHBondContact O-N 2.83Å; D1373-R1376 WeakPolarHBondContact OD1-CD 3.4Å; D1373-R1376 IonicContact OD1-CZ 2.66Å; D1373-R1376 IonicContact OD1-NE 2.71Å; D1373-R1376 IonicContact OD1-NH1 3.63Å; D1373-R1376 PolarHBondContact OD1-NH1 3.36Å; D1373-Q1377 WeakPolarHBondContact O-CG 3.18Å; D1373-Q1377 PolarHBondContact O-N 3.47Å
1374Y80.3Confident80.7Confident143 Ų143103.9 Ų103.956%0.56150%0.496SS*.Hα-helixtrans-65-41.3165.1-82.2-62.7000112.4T1370 I1371 R1376 Q1377 N1378T1370-Y1374 HydrophobicContact CG2-CD2 3.98Å; T1370-Y1374 HydrophobicContact CG2-CE2 3.75Å; T1370-Y1374 VanDerWaalsContact O-CD2 3.24Å; T1370-Y1374 WeakPolarHBondContact O-CD2 3.08Å; T1370-Y1374 PolarHBondContact O-N 3.06Å; I1371-Y1374 PolarHBondContact O-N 3.08Å; I1371-Y1374 VanDerWaalsContact O-N 3.13Å; Y1374-R1376 VanDerWaalsContact C-N 3.35Å; Y1374-R1376 PolarHBondContact O-N 3.46Å; Y1374-Q1377 CarbonylContact O-C 3.58Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.28Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.3Å; Y1374-Q1377 PolarHBondContact O-N 3.04Å; Y1374-Q1377 VanDerWaalsContact O-N 3.08Å; Y1374-N1378 PolarHBondContact O-N 3.33Å; Y1374-N1378 PolarHBondContact O-ND2 3.23Å
1375D79.3Confident80.8Confident91 Ų91105.1 Ų105.149%0.48750%0.502SS..Hα-helixtrans-69.7-31176.5-85.6-21.7000113.2I1371 S1372 Q1377 N1378 T1379I1371-D1375 PolarHBondContact O-N 2.76Å; S1372-D1375 PolarHBondContact O-N 2.94Å; D1375-Q1377 VanDerWaalsContact C-N 3.34Å; D1375-N1378 PolarHBondContact O-N 3.13Å; D1375-N1378 PolarHBondContact OD1-ND2 2.76Å; D1375-T1379 VanDerWaalsContact O-CB 3.26Å; D1375-T1379 WeakPolarHBondContact O-CB 3.48Å; D1375-T1379 PolarHBondContact O-N 2.72Å; D1375-T1379 PolarHBondContact O-OG1 3.01Å
1376R82.9Confident80.8Confident153 Ų153105.2 Ų105.258%0.57750%0.499SS*.Hα-helixtrans-63.4-38.6166.4-73.9162.4171.9-173.52.8112S1372 D1373 Y1374 R1380S1372-R1376 WeakPolarHBondContact O-CD 3.28Å; S1372-R1376 VanDerWaalsContact O-CG 3.26Å; S1372-R1376 WeakPolarHBondContact O-CG 3.45Å; S1372-R1376 PolarHBondContact O-N 3.33Å; D1373-R1376 WeakPolarHBondContact OD1-CD 3.4Å; D1373-R1376 IonicContact OD1-CZ 2.66Å; D1373-R1376 IonicContact OD1-NE 2.71Å; D1373-R1376 IonicContact OD1-NH1 3.63Å; D1373-R1376 PolarHBondContact OD1-NH1 3.36Å; Y1374-R1376 VanDerWaalsContact C-N 3.35Å; Y1374-R1376 PolarHBondContact O-N 3.46Å; R1376-R1380 VanDerWaalsContact O-CG 3.3Å; R1376-R1380 WeakPolarHBondContact O-CG 3.46Å; R1376-R1380 PolarHBondContact O-N 2.86Å; R1376-R1380 VanDerWaalsContact O-N 3.09Å
1377Q82.6Confident80.6Confident97 Ų97102.9 Ų102.945%0.45349%0.493SS..Hα-helixtrans-68.7-46173.6-73.2-177.36200112.1D1373 Y1374 D1375 T1379 R1380 L1381D1373-Q1377 WeakPolarHBondContact O-CG 3.18Å; D1373-Q1377 PolarHBondContact O-N 3.47Å; Y1374-Q1377 CarbonylContact O-C 3.58Å; Y1374-Q1377 WeakPolarHBondContact O-CA 3.28Å; Y1374-Q1377 WeakPolarHBondContact O-CB 3.3Å; Y1374-Q1377 PolarHBondContact O-N 3.04Å; Y1374-Q1377 VanDerWaalsContact O-N 3.08Å; D1375-Q1377 VanDerWaalsContact C-N 3.34Å; Q1377-T1379 VanDerWaalsContact C-N 3.28Å; Q1377-T1379 PolarHBondContact O-N 2.94Å; Q1377-R1380 WeakPolarHBondContact O-CB 3.38Å; Q1377-R1380 PolarHBondContact O-N 2.91Å; Q1377-R1380 VanDerWaalsContact O-N 3.15Å; Q1377-L1381 WeakPolarHBondContact O-CG 3.49Å; Q1377-L1381 PolarHBondContact O-N 3.27Å
1378N75.8Confident80.4Confident87 Ų87104.5 Ų104.547%0.46550%0.503SS..Hα-helixtrans-57.7-41.5175.1-73.8-30.7000111.5Y1374 D1375 L1381 K1382Y1374-N1378 PolarHBondContact O-N 3.33Å; Y1374-N1378 PolarHBondContact O-ND2 3.23Å; D1375-N1378 PolarHBondContact O-N 3.13Å; D1375-N1378 PolarHBondContact OD1-ND2 2.76Å; N1378-L1381 PolarHBondContact O-N 2.99Å; N1378-K1382 VanDerWaalsContact O-CB 3.22Å; N1378-K1382 WeakPolarHBondContact O-CB 3.34Å; N1378-K1382 PolarHBondContact O-N 3.49Å
1379T82.1Confident79.9Confident79 Ų79103.9 Ų103.949%0.48550%0.5SS..Hα-helixtrans-64.1-43.4176.2-59.40000111.7D1375 Q1377 K1382 N1383D1375-T1379 VanDerWaalsContact O-CB 3.26Å; D1375-T1379 WeakPolarHBondContact O-CB 3.48Å; D1375-T1379 PolarHBondContact O-N 2.72Å; D1375-T1379 PolarHBondContact O-OG1 3.01Å; Q1377-T1379 VanDerWaalsContact C-N 3.28Å; Q1377-T1379 PolarHBondContact O-N 2.94Å; T1379-K1382 PolarHBondContact O-N 3.2Å; T1379-N1383 WeakPolarHBondContact O-CB 3.35Å; T1379-N1383 PolarHBondContact O-N 3.48Å; T1379-N1383 PolarHBondContact O-OD1 3.27Å
1380R82.2Confident79.7Confident179 Ų179102.4 Ų102.468%0.67550%0.496SS*.Hα-helixtrans-61.4-44.7173.8-73169.2-179.5167.13.2111.8R1376 Q1377 R1384R1376-R1380 VanDerWaalsContact O-CG 3.3Å; R1376-R1380 WeakPolarHBondContact O-CG 3.46Å; R1376-R1380 PolarHBondContact O-N 2.86Å; R1376-R1380 VanDerWaalsContact O-N 3.09Å; Q1377-R1380 WeakPolarHBondContact O-CB 3.38Å; Q1377-R1380 PolarHBondContact O-N 2.91Å; Q1377-R1380 VanDerWaalsContact O-N 3.15Å; R1380-R1384 WeakPolarHBondContact O-CB 3.45Å; R1380-R1384 PolarHBondContact O-N 3.49Å
1381L78.1Confident79.4Confident104 Ų104105.3 Ų105.355%0.54551%0.507SS..Hα-helixtrans-64.9-43.5177.7-70.5171.3000111.9Q1377 N1378 R1384 I1385Q1377-L1381 WeakPolarHBondContact O-CG 3.49Å; Q1377-L1381 PolarHBondContact O-N 3.27Å; N1378-L1381 PolarHBondContact O-N 2.99Å; L1381-R1384 PolarHBondContact O-N 3.44Å; L1381-I1385 WeakPolarHBondContact O-CG1 3.27Å; L1381-I1385 PolarHBondContact O-N 2.82Å
1382K80.5Confident78.9Confident154 Ų154105.9 Ų105.967%0.6751%0.51SS*.Hα-helixtrans-62.8-44.2178.2-163.2171.4-172.51750111.5N1378 T1379 R1384 I1385 S1386N1378-K1382 VanDerWaalsContact O-CB 3.22Å; N1378-K1382 WeakPolarHBondContact O-CB 3.34Å; N1378-K1382 PolarHBondContact O-N 3.49Å; T1379-K1382 PolarHBondContact O-N 3.2Å; K1382-R1384 PolarHBondContact O-N 3.29Å; K1382-I1385 PolarHBondContact O-N 2.9Å; K1382-S1386 PolarHBondContact O-N 3.38Å; K1382-S1386 VanDerWaalsContact O-N 3.07Å; K1382-S1386 PolarHBondContact O-OG 2.84Å
1383N81.5Confident78.6Confident97 Ų97109 Ų10952%0.51952%0.516SS..Hα-helixtrans-60.3-44.2172.2-70.2-8.1000111.5T1379 I1385 S1386 E1387T1379-N1383 WeakPolarHBondContact O-CB 3.35Å; T1379-N1383 PolarHBondContact O-N 3.48Å; T1379-N1383 PolarHBondContact O-OD1 3.27Å; N1383-I1385 VanDerWaalsContact C-N 3.33Å; N1383-I1385 PolarHBondContact O-N 3.36Å; N1383-S1386 PolarHBondContact O-N 3.39Å; N1383-S1386 VanDerWaalsContact O-N 3.15Å; N1383-E1387 PolarHBondContact O-N 2.81Å
1384R83.1Confident78.2Confident127 Ų127113.9 Ų113.948%0.47953%0.528SS..Hα-helixtrans-65.2-34.1178.4-172.456.5176.71668112.9R1380 L1381 K1382 E1387 L1388R1380-R1384 WeakPolarHBondContact O-CB 3.45Å; R1380-R1384 PolarHBondContact O-N 3.49Å; L1381-R1384 PolarHBondContact O-N 3.44Å; K1382-R1384 PolarHBondContact O-N 3.29Å; R1384-E1387 WeakPolarHBondContact CD-OE2 3.3Å; R1384-E1387 IonicContact CZ-OE2 2.82Å; R1384-E1387 IonicContact NE-OE2 2.66Å; R1384-E1387 IonicContact NH1-OE2 2.67Å; R1384-E1387 PolarHBondContact NH1-OE2 3.26Å; R1384-E1387 PolarHBondContact O-N 3.38Å; R1384-L1388 HydrophobicContact CG-CD1 4.33Å; R1384-L1388 VanDerWaalsContact O-CG 3.28Å; R1384-L1388 WeakPolarHBondContact O-CG 3.39Å; R1384-L1388 PolarHBondContact O-N 2.8Å
1385I76.9Confident77.3Confident95 Ų95112.2 Ų112.249%0.48753%0.529SS..Hα-helixtrans-64.8-43.3172-70.6163.5000110.3L1381 K1382 N1383 L1388 Q1389L1381-I1385 WeakPolarHBondContact O-CG1 3.27Å; L1381-I1385 PolarHBondContact O-N 2.82Å; K1382-I1385 PolarHBondContact O-N 2.9Å; N1383-I1385 VanDerWaalsContact C-N 3.33Å; N1383-I1385 PolarHBondContact O-N 3.36Å; I1385-L1388 PolarHBondContact O-N 2.67Å; I1385-Q1389 HydrophobicContact CG2-CG 4.43Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.3Å; I1385-Q1389 VanDerWaalsContact O-CG 3.27Å; I1385-Q1389 WeakPolarHBondContact O-CG 3.42Å; I1385-Q1389 PolarHBondContact O-N 3Å
1386S80.8Confident76.4Confident56 Ų56112.5 Ų112.539%0.39253%0.534SS..Hα-helixtrans-66-35.8175.7-62.50000113.5K1382 N1383 Q1389 L1390K1382-S1386 PolarHBondContact O-N 3.38Å; K1382-S1386 VanDerWaalsContact O-N 3.07Å; K1382-S1386 PolarHBondContact O-OG 2.84Å; N1383-S1386 PolarHBondContact O-N 3.39Å; N1383-S1386 VanDerWaalsContact O-N 3.15Å; S1386-Q1389 PolarHBondContact O-N 2.85Å; S1386-L1390 WeakPolarHBondContact O-CG 3.48Å; S1386-L1390 PolarHBondContact O-N 2.93Å; S1386-L1390 VanDerWaalsContact O-N 3.07Å
1387E78.8Confident75Confident101 Ų101109.9 Ų109.947%0.47253%0.532SS..Hα-helixtrans-59.4-50.8169.8-72.3177.5168.200111.3N1383 R1384 Q1389 L1390 E1391N1383-E1387 PolarHBondContact O-N 2.81Å; R1384-E1387 WeakPolarHBondContact CD-OE2 3.3Å; R1384-E1387 IonicContact CZ-OE2 2.82Å; R1384-E1387 IonicContact NE-OE2 2.66Å; R1384-E1387 IonicContact NH1-OE2 2.67Å; R1384-E1387 PolarHBondContact NH1-OE2 3.26Å; R1384-E1387 PolarHBondContact O-N 3.38Å; E1387-Q1389 VanDerWaalsContact C-N 3.32Å; E1387-Q1389 PolarHBondContact O-N 3.31Å; E1387-L1390 PolarHBondContact O-N 3.35Å; E1387-L1390 VanDerWaalsContact O-N 3.16Å; E1387-E1391 WeakPolarHBondContact O-CB 3.45Å; E1387-E1391 PolarHBondContact O-N 2.97Å
1388L74.9Confident73.5Confident76 Ų76111.1 Ų111.140%0.39854%0.541SS..Hα-helixtrans-64.8-33.9-179.8-70.3168.4000112.4R1384 I1385 E1391 L1392R1384-L1388 HydrophobicContact CG-CD1 4.33Å; R1384-L1388 VanDerWaalsContact O-CG 3.28Å; R1384-L1388 WeakPolarHBondContact O-CG 3.39Å; R1384-L1388 PolarHBondContact O-N 2.8Å; I1385-L1388 PolarHBondContact O-N 2.67Å; L1388-E1391 PolarHBondContact O-N 2.93Å; L1388-L1392 WeakPolarHBondContact O-CB 3.5Å; L1388-L1392 WeakPolarHBondContact O-CG 3.26Å; L1388-L1392 PolarHBondContact O-N 3.4Å
1389Q70.9Confident72Confident119 Ų119113.7 Ų113.756%0.55656%0.555SS**Hα-helixtrans-65.6-40.2172.5-75.4170.5-17.500112.3I1385 S1386 E1387 K1393I1385-Q1389 HydrophobicContact CG2-CG 4.43Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.3Å; I1385-Q1389 VanDerWaalsContact O-CG 3.27Å; I1385-Q1389 WeakPolarHBondContact O-CG 3.42Å; I1385-Q1389 PolarHBondContact O-N 3Å; S1386-Q1389 PolarHBondContact O-N 2.85Å; E1387-Q1389 VanDerWaalsContact C-N 3.32Å; E1387-Q1389 PolarHBondContact O-N 3.31Å; Q1389-K1393 WeakPolarHBondContact O-CB 3.24Å; Q1389-K1393 PolarHBondContact O-N 2.91Å
1390L78.6Confident70Confident107 Ų107116.8 Ų116.856%0.5657%0.568SS**Hα-helixtrans-68.8-35.9173.7-77.2167.4000112.4S1386 E1387 K1393 R1394S1386-L1390 WeakPolarHBondContact O-CG 3.48Å; S1386-L1390 PolarHBondContact O-N 2.93Å; S1386-L1390 VanDerWaalsContact O-N 3.07Å; E1387-L1390 PolarHBondContact O-N 3.35Å; E1387-L1390 VanDerWaalsContact O-N 3.16Å; L1390-K1393 PolarHBondContact O-N 3.49Å; L1390-R1394 WeakPolarHBondContact O-CG 3.42Å; L1390-R1394 PolarHBondContact O-N 3.42Å
1391E75.6Confident67.8Low105 Ų105115 Ų11549%0.49157%0.572SS.*Hα-helixtrans-70.3-43.9177.7-167.2156.3-125.400111.6E1387 L1388 K1393 R1394 L1395E1387-E1391 WeakPolarHBondContact O-CB 3.45Å; E1387-E1391 PolarHBondContact O-N 2.97Å; L1388-E1391 PolarHBondContact O-N 2.93Å; E1391-K1393 PolarHBondContact O-N 3Å; E1391-R1394 PolarHBondContact O-N 2.79Å; E1391-L1395 WeakPolarHBondContact O-CG 3.37Å; E1391-L1395 PolarHBondContact O-N 2.63Å
1392L68.5Low65.6Low112 Ų112116.3 Ų116.359%0.58659%0.585SS**Hα-helixtrans-57.3-47.2169.1-79.3167.9000111.6L1388 R1394 L1395 T1396L1388-L1392 WeakPolarHBondContact O-CB 3.5Å; L1388-L1392 WeakPolarHBondContact O-CG 3.26Å; L1388-L1392 PolarHBondContact O-N 3.4Å; L1392-R1394 VanDerWaalsContact C-N 3.34Å; L1392-R1394 PolarHBondContact O-N 3Å; L1392-L1395 WeakPolarHBondContact O-CB 3.45Å; L1392-L1395 PolarHBondContact O-N 3.29Å; L1392-L1395 VanDerWaalsContact O-N 3.09Å; L1392-T1396 PolarHBondContact O-N 3.4Å; L1392-T1396 PolarHBondContact O-OG1 3.35Å
1393K76.5Confident63.3Low129 Ų129114.7 Ų114.756%0.56159%0.588SS**Hα-helixtrans-59.1-44.4178-174.5169.8-177.81740112.1Q1389 L1390 E1391 L1395 T1396 D1397Q1389-K1393 WeakPolarHBondContact O-CB 3.24Å; Q1389-K1393 PolarHBondContact O-N 2.91Å; L1390-K1393 PolarHBondContact O-N 3.49Å; E1391-K1393 PolarHBondContact O-N 3Å; K1393-L1395 VanDerWaalsContact C-N 3.3Å; K1393-L1395 PolarHBondContact O-N 3.03Å; K1393-T1396 PolarHBondContact O-N 3.49Å; K1393-D1397 VanDerWaalsContact O-CG 3.29Å; K1393-D1397 PolarHBondContact O-N 3.08Å
1394R72Confident60.8Low180 Ų180118.5 Ų118.568%0.67960%0.602SS**Hα-helixtrans-62.4-33.8174.8-75.5172.7173.7174.2-0.3113L1390 E1391 L1392 N1398L1390-R1394 WeakPolarHBondContact O-CG 3.42Å; L1390-R1394 PolarHBondContact O-N 3.42Å; E1391-R1394 PolarHBondContact O-N 2.79Å; L1392-R1394 VanDerWaalsContact C-N 3.34Å; L1392-R1394 PolarHBondContact O-N 3Å; R1394-N1398 WeakPolarHBondContact O-CB 3.37Å; R1394-N1398 PolarHBondContact O-N 2.72Å; R1394-N1398 PolarHBondContact O-ND2 3.35Å
1395L61.8Low58.3Low109 Ų109116.8 Ų116.857%0.57162%0.615SS**Hα-helixtrans-71.6-38.5174.9-73.6164.6000111.8E1391 L1392 K1393 N1399E1391-L1395 WeakPolarHBondContact O-CG 3.37Å; E1391-L1395 PolarHBondContact O-N 2.63Å; L1392-L1395 WeakPolarHBondContact O-CB 3.45Å; L1392-L1395 PolarHBondContact O-N 3.29Å; L1392-L1395 VanDerWaalsContact O-N 3.09Å; K1393-L1395 VanDerWaalsContact C-N 3.3Å; K1393-L1395 PolarHBondContact O-N 3.03Å; L1395-N1399 PolarHBondContact O-N 3.48Å
1396T59.4Low56Low96 Ų96123 Ų12359%0.58963%0.632SS**Hα-helixtrans-64.2-48.8173.7-56.50000111.8L1392 K1393 N1398 N1399L1392-T1396 PolarHBondContact O-N 3.4Å; L1392-T1396 PolarHBondContact O-OG1 3.35Å; K1393-T1396 PolarHBondContact O-N 3.49Å; T1396-N1398 VanDerWaalsContact C-N 3.3Å; T1396-N1398 PolarHBondContact O-N 3.42Å; T1396-N1399 PolarHBondContact O-N 2.73Å
1397D53.9Low53.5Low99 Ų99129 Ų12953%0.52965%0.654SS.*Hα-helixtrans-63.2-33.8-177.3-69.2-25.4000112.5K1393K1393-D1397 VanDerWaalsContact O-CG 3.29Å; K1393-D1397 PolarHBondContact O-N 3.08Å
1398N51.8Low51Low122 Ų122133.2 Ų133.265%0.65267%0.673SS**Hα-helixtrans-81.1-20.6-178.1-78.6-50.9000114.9R1394 T1396 N1400R1394-N1398 WeakPolarHBondContact O-CB 3.37Å; R1394-N1398 PolarHBondContact O-N 2.72Å; R1394-N1398 PolarHBondContact O-ND2 3.35Å; T1396-N1398 VanDerWaalsContact C-N 3.3Å; T1396-N1398 PolarHBondContact O-N 3.42Å; N1398-N1400 PolarHBondContact O-N 2.86Å; N1398-N1400 VanDerWaalsContact O-N 3.15Å
1399N43.3Very low49.2Very low141 Ų141134.3 Ų134.375%0.75469%0.685SS**THydrogen-bonded Turntrans-75.1-1.7-170.8-109.9-13.5000115.1L1395 T1396 N1401L1395-N1399 PolarHBondContact O-N 3.48Å; T1396-N1399 PolarHBondContact O-N 2.73Å; N1399-N1401 VanDerWaalsContact C-N 3.34Å; N1399-N1401 PolarHBondContact O-N 2.89Å
1400N41.7Very low47.4Very low144 Ų144135.7 Ų135.777%0.7770%0.695SS**THydrogen-bonded Turntrans-84.62.6-179.5-77.4-50.4000114.7N1398N1398-N1400 PolarHBondContact O-N 2.86Å; N1398-N1400 VanDerWaalsContact O-N 3.15Å
1401N35.8Very low45Very low142 Ų142140.1 Ų140.176%0.75971%0.71SS**SBendtrans-122.1134.9179.6-74.4-68.4000113.3N1399N1399-N1401 VanDerWaalsContact C-N 3.34Å; N1399-N1401 PolarHBondContact O-N 2.89Å
1402T31.6Very low42.9Very low131 Ų131140.5 Ų140.580%0.80472%0.719SS**  trans-65.5158.7-171.848.50000116.9
1403V31.4Very low41Very low121 Ų121141.7 Ų141.773%0.73373%0.73SS**  trans100.3109.8154.3-178.60000118.8
1404E28.8Very low38.7Very low177 Ų177141.3 Ų141.383%0.82774%0.735SS**  trans30.5114.1136.8-51.5-172.6119.200122.8
1405A30.5Very low36.6Very low90 Ų90139.2 Ų139.274%0.74474%0.742SS**  85.3150.2121.100000122.7
1406R30.3Very low35.4Very low226 Ų226139.4 Ų139.485%0.85375%0.75SS**  trans79.791.4163.2-60.9169.1-172.5-111-1.5119
1407H26.8Very low33.8Very low183 Ų183143.2 Ų143.285%0.84777%0.765SS**  22.4114.1111.1-59.574.4000117.3
1408E27.5Very low32.7Very low188 Ų188144.2 Ų144.288%0.87978%0.775SS**  179.3165.698-90.3-149.3116.200111.4
1409P37.1Very low31.6Very low99 Ų99144.9 Ų144.964%0.64378%0.784SS**  trans-120.8-177.8-15044.3-34.9000116.7
1410I33Very low30.9Very low148 Ų148142.8 Ų142.876%0.75978%0.781SS**  trans72.2114.2164.7-55164000116.5
1411K27Very low30.4Very low201 Ų201141.4 Ų141.487%0.87478%0.777SS**  -159.9134121.6-113.1162.3-171.2171.70114.9
1412V32Very low30.1Very low112 Ų112142.4 Ų142.468%0.67978%0.777SS**  trans-67.2137.4163.9176.50000109.5
1413V28.8Very low30Very low137 Ų137141 Ų14183%0.8377%0.773SS**  trans-141.6126.8152.1-178.70000107.9
1414D27.8Very low29.8Very low122 Ų122141.9 Ų141.965%0.65277%0.771SS**  trans-84-168.4-179.1-58.6-88.4000113.5
1415T29Very low30.1Very low136 Ų136139.7 Ų139.783%0.83477%0.769SS**  trans88.6138157.251.40000119.6
1416P35.5Very low30.3Very low112 Ų112139.4 Ų139.473%0.72776%0.762SS**  trans-101178.3-168.641.9-37.9000113.1
1417L26.9Very low30.7Very low176 Ų176140 Ų14092%0.92176%0.764SS**  trans-143.3151.5154.9-142.770.8000112.5
1418T30.6Very low31Very low120 Ų120138.4 Ų138.474%0.73676%0.757SS**  trans-122.7141.9-163.851.70000113.6
1419T28.5Very low31.5Very low137 Ų137136.2 Ų136.284%0.8475%0.751SS**  trans-167.3117.8150.824.80000106.9
1420S27.8Very low31.4Very low97 Ų97136.6 Ų136.668%0.67875%0.751SS**  63.3122.769.3-160.40000111.5
1421T32.4Very low31.2Very low115 Ų115136.6 Ų136.671%0.70675%0.753SS**  cis-141.6139.548.443.80000113.2
1422Q28.3Very low31.4Very low162 Ų162132.7 Ų132.776%0.75775%0.746SS**  58140.192.8-60.2177.6-6300115.6
1423S29.1Very low31.3Very low102 Ų102134.6 Ų134.671%0.71375%0.747SS**  cis-148.7127.627.2174.70000112.5
1424M28Very low31.3Very low140 Ų140134.3 Ų134.369%0.6975%0.75SS**  58.3139.6105.4-43.6-15572.100116.6
1425V35.5Very low31.5Very low130 Ų130133.5 Ų133.579%0.78875%0.745SS**  cis-146.8123.846.9177.20000110
1426S35.4Very low31.7Very low84 Ų84134.7 Ų134.759%0.58775%0.745SS**  58.113991.6-36.70000115.5
1427R37.4Very low31.3Very low240 Ų240137.5 Ų137.591%0.90675%0.746SS**  cis-154.717730.3-74.7178.4177.2156.5-2109.8
1428H34.6Very low31.5Very low149 Ų149136.5 Ų136.569%0.6974%0.74SS**  cis-170.2-167.3-34.7-166.649000107.6
1429D36.6Very low31.5Very low141 Ų141136.7 Ų136.775%0.75474%0.737SS**  trans71.1107.9175.7-48.5-12.6000113.8
1430V34.7Very low31.5Very low107 Ų107137.2 Ų137.265%0.64873%0.73SS**  cis78.6107.922.5-168.80000114.5
1431D29.6Very low31.5Very low149 Ų149137.9 Ų137.980%0.79773%0.726SS**  -170.9163.2109.4-128.6-27.7000117.6
1432V31Very low31.4Very low119 Ų119139.3 Ų139.372%0.72173%0.729SS**  trans55.194.3158.1-170.40000122.3
1433Q29.2Very low31.4Very low151 Ų151135.6 Ų135.671%0.70673%0.726SS**  trans-41.7151.9145.8168.8-175.77.100118.3D1435Q1433-D1435 PolarHBondContact NE2-OD2 3.36Å
1434C30Very low31.3Very low132 Ų132137.6 Ų137.689%0.89273%0.728SS**  trans-152.9124.8148.2-99.70000114.2
1435D32.3Very low31.5Very low104 Ų104137.8 Ų137.856%0.55673%0.73SS**  trans-97.8126.2179.8-63.4-104.7000114.6Q1433Q1433-D1435 PolarHBondContact NE2-OD2 3.36Å
1436I32.1Very low31.1Very low162 Ų162138 Ų13883%0.83173%0.727SS**  trans-145.4106.4150.5-50.9-179.8000106.8
1437K28.3Very low30.8Very low170 Ų170140.2 Ų140.274%0.73974%0.737SS**  78.4147.352.7-69.3-173.4175171.40115.6
1438L30Very low30.3Very low155 Ų155133.9 Ų133.981%0.81273%0.726SS**  trans80.1106.8178.9-50.3178.9000113.5
1439N30.2Very low30.2Very low124 Ų124132.7 Ų132.766%0.66373%0.729SS**  cis93.9152.434-166.337.1000113.1
1440E28.1Very low29.9Very low149 Ų149132.4 Ų132.470%0.69673%0.727SS**  trans81.6139.3165.4-47.4-157.1-158.200118.1
1441N29.2Very low29.8Very low111 Ų111132.2 Ų132.259%0.59473%0.726SS**  cis-167.9167.5-24.9-113.5-37.2000110.8
1442N29.7Very low29.9Very low145 Ų145131.1 Ų131.178%0.77572%0.721SS**  trans72.4126.5167.2-50-48.4000116.2
1443A28.2Very low29.9Very low84 Ų84132 Ų13269%0.69472%0.72SS**  cis82.814239.800000113.2
1444L27.3Very low29.9Very low143 Ų143130 Ų13075%0.74972%0.721SS**  cis-158.2-178.810.1-156.874.2000110.7
1445I31.3Very low29.9Very low144 Ų144130.3 Ų130.374%0.73871%0.714SS**  trans83.1105166.2-52.9150.6000113.4
1446N28.5Very low30Very low134 Ų134134 Ų13472%0.71773%0.728SS**  cis85.3145.740.3-72.2-22.8000116.8
1447T28.6Very low29.9Very low131 Ų131134.2 Ų134.280%0.80473%0.725SS**  trans79.3139.3161.264.10000119.6
1448T27.6Very low30Very low108 Ų108133.4 Ų133.466%0.66373%0.729SS**  cis-162.6168.4-27.6-52.90000107.9
1449T31.5Very low30Very low124 Ų124129.1 Ų129.176%0.76172%0.722SS**  trans85149.7155.866.30000119.9
1450N31.2Very low29.9Very low134 Ų134130.1 Ų130.172%0.71773%0.733SS**  cis-173.7155.4-43.7-128.73.1000110.4
1451T31.1Very low29.8Very low103 Ų103127.6 Ų127.663%0.63274%0.738SS**  trans47130146.857.90000120
1452N32.7Very low29.7Very low127 Ų127127.9 Ų127.968%0.67975%0.749SS**  cis177.1145.746.9-117.8-4.8000114.4
1453I30Very low29.6Very low138 Ų138126.5 Ų126.571%0.70875%0.75SS**  trans74.3133.9134.2-66.9168.6000121.8
1454C30.4Very low29.4Very low107 Ų107129.8 Ų129.872%0.72376%0.762SS**  trans-87.7179.3175.1-48.10000113.3
1455N30.4Very low29.6Very low139 Ų139132.5 Ų132.574%0.74377%0.767SS**  162.9117.8119.9-81.5-9.5000112.7
1456H34.5Very low29.3Very low183 Ų183133.5 Ų133.585%0.84777%0.773SS**  -174.1145.7111.6-112.2-78.7000112.6
1457E28.9Very low29.5Very low165 Ų165132.3 Ų132.377%0.77178%0.775SS**  trans-113.4161.7179.3-56161.1119.800111
1458N31.5Very low29.5Very low153 Ų153131.2 Ų131.282%0.81877%0.772SS**  148.2142.9124.3-80.3-65.1000115
1459G29.2Very low29.4Very low66 Ų66134.1 Ų134.168%0.6878%0.778SS**  trans114.875.313700000121.9
1460T28.1Very low29.5Very low144 Ų144132.8 Ų132.888%0.88377%0.769SS**  trans50.5118.2138.145.80000123.9
1461A26.5Very low29.3Very low96 Ų96133.7 Ų133.779%0.79378%0.775SS**  trans89.2134.8133.200000123.2
1462S26.8Very low29.2Very low118 Ų118133.4 Ų133.483%0.82577%0.769SS**  trans73.8104159.5-64.50000122
1463S28Very low28.9Very low116 Ų116133.8 Ų133.881%0.81177%0.771SS**  trans27.2106.5145.6-58.10000122.3
1464T24.1Very low28.9Very low152 Ų152132.6 Ų132.693%0.93377%0.771SS**  -168.2168.9123.111.80000112.3
1465K30.3Very low28.8Very low200 Ų200134 Ų13487%0.8777%0.766SS**  trans-70.4134.8176.9-67.4175.1175.51760112
1466L25.1Very low28.7Very low165 Ų165133.4 Ų133.486%0.86476%0.762SS**  -177.1-179113.9-103.5156.9000112.5
1467C32.3Very low28.4Very low110 Ų110132 Ų13274%0.74376%0.756SS**  trans-80.8-174.7-170.6-59.10000113.6
1468S28.4Very low28.4Very low107 Ų107128.3 Ų128.375%0.74875%0.749SS**  trans81.1140.818079.40000115
1469E27.4Very low28.2Very low170 Ų170127.4 Ų127.479%0.79474%0.744SS**  cis-160.1168.4-9.2-120.9175.1179.600111.8
1470V32.8Very low28.3Very low95 Ų95130.1 Ų130.158%0.57674%0.743SS**  trans31.7112.7151-179.10000118.9N1472V1470-N1472 HydrophobicContact CG1-CB 4.46Å
1471N27.5Very low28.5Very low154 Ų154131.2 Ų131.282%0.82474%0.738SS**  -155.1140.2116-95.9-40.5000108.7
1472N28Very low28.8Very low97 Ų97132 Ų13252%0.51973%0.725SS.*  cis169.6133.9-18.4-132.4-30000102.2V1470V1470-N1472 HydrophobicContact CG1-CB 4.46Å
1473N27.4Very low29.4Very low134 Ų134133.3 Ų133.372%0.71772%0.723SS**  trans64.2149.4161.6-53.4-40.3000115.7
1474T28.4Very low30.4Very low114 Ų114131.7 Ų131.770%0.69971%0.705SS**  cis-148.3147.69.3-2.70000105.7
1475H28.7Very low31.5Very low136 Ų136130 Ų13063%0.6368%0.682SS**  48.8113.889.5-149.223.2000109.9
1476L29Very low32.4Very low126 Ų126124.4 Ų124.466%0.6666%0.66SS**  -158138.768.4-81.4150.2000108.4
1477Q27.5Very low33.9Very low153 Ų153120.6 Ų120.672%0.71564%0.638SS**  48.4133.298.3-62.3179.8-16.200115.1
1478S28.7Very low34.9Very low89 Ų89120.6 Ų120.662%0.62263%0.625SS**  cis-169174.9-11.853.60000108.6
1479N28.2Very low36.1Very low133 Ų133117.3 Ų117.371%0.71160%0.601SS**  trans73.7151.2174.6-40.712.4000113.9
1480D30.3Very low37.5Very low124 Ų124116.4 Ų116.466%0.66359%0.59SS**  cis-163.5170.9-33.5-89.2-39.1000106.1H1482D1480-H1482 PolarHBondContact O-N 3.07Å
1481E33.3Very low39.1Very low166 Ų166115.8 Ų115.878%0.77658%0.581SS**  trans64.529.5164.2-47.1-166142.200120.1
1482H32.9Very low40.5Very low112 Ų112112.8 Ų112.852%0.51956%0.562SS.*  trans-117.617.1-173-83.65.2000119.6D1480 W1485 Y1511D1480-H1482 PolarHBondContact O-N 3.07Å; H1482-W1485 PolarHBondContact O-NE1 3.45Å; H1482-Y1511 AromaticContact CD2-CE1 3.87Å; H1482-Y1511 PolarHBondContact CE1-OH 2.66Å; H1482-Y1511 AromaticContact NE2-CE1 3.73Å; H1482-Y1511 PolarHBondContact NE2-OH 3.11Å
1483D39.7Very low42Very low147 Ų147113.1 Ų113.179%0.78656%0.562SS**SBendtrans-108.8-17.3162.4-75.1-58.3000113.6W1485D1483-W1485 PolarHBondContact O-N 3.26Å
1484D47.3Very low43.8Very low81 Ų81113.2 Ų113.243%0.43356%0.562SS.*Hα-helixtrans-76.5-6.9178.1-172.751.9000113.1K1488D1484-K1488 WeakPolarHBondContact O-CB 3.39Å; D1484-K1488 WeakPolarHBondContact O-CG 3.37Å; D1484-K1488 PolarHBondContact O-N 2.76Å; D1484-K1488 WeakPolarHBondContact OD2-CD 3.05Å; D1484-K1488 WeakPolarHBondContact OD2-CE 3.45Å; D1484-K1488 IonicContact OD2-NZ 3.94Å; D1484-K1488 PolarHBondContact OD2-NZ 2.93Å
1485W47.2Very low45.5Very low118 Ų118114.6 Ų114.645%0.44756%0.561SS.*Hα-helixtrans-73.1-30.3177.379.6-89.6000112.7H1482 D1483 E1487 V1489H1482-W1485 PolarHBondContact O-NE1 3.45Å; D1483-W1485 PolarHBondContact O-N 3.26Å; W1485-E1487 VanDerWaalsContact C-N 3.35Å; W1485-V1489 HydrophobicContact CE3-CG2 3.99Å; W1485-V1489 HydrophobicContact CZ3-CG2 4.45Å; W1485-V1489 VanDerWaalsContact O-CB 3.3Å; W1485-V1489 WeakPolarHBondContact O-CB 3.39Å; W1485-V1489 VanDerWaalsContact O-CG2 3.28Å; W1485-V1489 WeakPolarHBondContact O-CG2 3.32Å; W1485-V1489 PolarHBondContact O-N 3.38Å
1486I49.3Very low46.8Very low82 Ų82110 Ų11042%0.42154%0.544SS..Hα-helixtrans-68.3-40.1175.9-63.5179.6000109.6R1490I1486-R1490 WeakPolarHBondContact O-CB 3.36Å; I1486-R1490 WeakPolarHBondContact O-CD 3.23Å; I1486-R1490 VanDerWaalsContact O-CG 3.23Å; I1486-R1490 WeakPolarHBondContact O-CG 3.5Å; I1486-R1490 PolarHBondContact O-N 3.18Å
1487E57.5Low48.1Very low84 Ų84112.6 Ų112.639%0.39356%0.558SS.*Hα-helixtrans-74.2-40.5175.3-170.954.6-154.500111.6W1485 V1489 R1490 Q1491W1485-E1487 VanDerWaalsContact C-N 3.35Å; E1487-V1489 PolarHBondContact O-N 2.96Å; E1487-R1490 CarbonylContact O-C 3.57Å; E1487-R1490 WeakPolarHBondContact O-CB 3.24Å; E1487-R1490 PolarHBondContact O-N 2.64Å; E1487-R1490 VanDerWaalsContact O-N 3.14Å; E1487-R1490 VanDerWaalsContact OE2-CD 3.31Å; E1487-R1490 WeakPolarHBondContact OE2-CD 3.4Å; E1487-Q1491 HydrophobicContact CG-CG 4.28Å; E1487-Q1491 WeakPolarHBondContact O-CB 3.42Å; E1487-Q1491 WeakPolarHBondContact O-CG 3.32Å; E1487-Q1491 PolarHBondContact O-N 3.48Å; E1487-Q1491 PolarHBondContact OE1-NE2 3Å
1488K54.3Low49.4Very low110 Ų110107.7 Ų107.748%0.47854%0.541SS..Hα-helixtrans-58.6-42.5170.9-81.4169.2170.5138.50112.8D1484 Q1491 E1492D1484-K1488 WeakPolarHBondContact O-CB 3.39Å; D1484-K1488 WeakPolarHBondContact O-CG 3.37Å; D1484-K1488 PolarHBondContact O-N 2.76Å; D1484-K1488 WeakPolarHBondContact OD2-CD 3.05Å; D1484-K1488 WeakPolarHBondContact OD2-CE 3.45Å; D1484-K1488 IonicContact OD2-NZ 3.94Å; D1484-K1488 PolarHBondContact OD2-NZ 2.93Å; K1488-Q1491 PolarHBondContact O-N 2.96Å; K1488-E1492 WeakPolarHBondContact O-CB 3.48Å; K1488-E1492 WeakPolarHBondContact O-CG 3.41Å; K1488-E1492 PolarHBondContact O-N 3.3Å
1489V52.6Low50.5Low38 Ų38108 Ų10823%0.2354%0.535CS..Hα-helixtrans-67.2-36.8175.1167.70000111.1W1485 E1487 I1493 L1506W1485-V1489 HydrophobicContact CE3-CG2 3.99Å; W1485-V1489 HydrophobicContact CZ3-CG2 4.45Å; W1485-V1489 VanDerWaalsContact O-CB 3.3Å; W1485-V1489 WeakPolarHBondContact O-CB 3.39Å; W1485-V1489 VanDerWaalsContact O-CG2 3.28Å; W1485-V1489 WeakPolarHBondContact O-CG2 3.32Å; W1485-V1489 PolarHBondContact O-N 3.38Å; E1487-V1489 PolarHBondContact O-N 2.96Å; V1489-I1493 HydrophobicContact CG1-CD1 3.69Å; V1489-I1493 HydrophobicContact CG1-CG1 4.4Å; V1489-I1493 VanDerWaalsContact O-CB 3.28Å; V1489-I1493 WeakPolarHBondContact O-CB 3.32Å; V1489-I1493 WeakPolarHBondContact O-CD1 3.28Å; V1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; V1489-I1493 PolarHBondContact O-N 2.79Å; V1489-L1506 HydrophobicContact CG2-CD2 4.12Å
1490R57.8Low51.8Low151 Ų151107.8 Ų107.857%0.5753%0.534SS*.Hα-helixtrans-61.8-44.5170-75.1164.3179.2-108.1-2.5112I1486 E1487 I1493 L1494I1486-R1490 WeakPolarHBondContact O-CB 3.36Å; I1486-R1490 WeakPolarHBondContact O-CD 3.23Å; I1486-R1490 VanDerWaalsContact O-CG 3.23Å; I1486-R1490 WeakPolarHBondContact O-CG 3.5Å; I1486-R1490 PolarHBondContact O-N 3.18Å; E1487-R1490 CarbonylContact O-C 3.57Å; E1487-R1490 WeakPolarHBondContact O-CB 3.24Å; E1487-R1490 PolarHBondContact O-N 2.64Å; E1487-R1490 VanDerWaalsContact O-N 3.14Å; E1487-R1490 VanDerWaalsContact OE2-CD 3.31Å; E1487-R1490 WeakPolarHBondContact OE2-CD 3.4Å; R1490-I1493 PolarHBondContact O-N 2.83Å; R1490-L1494 VanDerWaalsContact O-CB 3.28Å; R1490-L1494 WeakPolarHBondContact O-CB 3.48Å; R1490-L1494 WeakPolarHBondContact O-CD1 3.47Å; R1490-L1494 WeakPolarHBondContact O-CG 3.23Å; R1490-L1494 PolarHBondContact O-N 3.46Å
1491Q65.1Low53.3Low82 Ų82105.5 Ų105.538%0.38353%0.528SS..Hα-helixtrans-66.9-41.6178.9-68-72.5-29.500111.8E1487 K1488 L1494 Q1495E1487-Q1491 HydrophobicContact CG-CG 4.28Å; E1487-Q1491 WeakPolarHBondContact O-CB 3.42Å; E1487-Q1491 WeakPolarHBondContact O-CG 3.32Å; E1487-Q1491 PolarHBondContact O-N 3.48Å; E1487-Q1491 PolarHBondContact OE1-NE2 3Å; K1488-Q1491 PolarHBondContact O-N 2.96Å; Q1491-L1494 CarbonylContact O-C 3.56Å; Q1491-L1494 PolarHBondContact O-N 3.24Å; Q1491-Q1495 VanDerWaalsContact O-CB 3.28Å; Q1491-Q1495 WeakPolarHBondContact O-CB 3.44Å; Q1491-Q1495 WeakPolarHBondContact O-CG 3.46Å; Q1491-Q1495 PolarHBondContact O-N 2.94Å
1492E57.9Low54.2Low92 Ų9299.6 Ų99.643%0.4350%0.501SS..Hα-helixtrans-67.9-36.9174.9-74.5-177.2172.100111.7K1488 Q1495 S1496 L1502K1488-E1492 WeakPolarHBondContact O-CB 3.48Å; K1488-E1492 WeakPolarHBondContact O-CG 3.41Å; K1488-E1492 PolarHBondContact O-N 3.3Å; E1492-Q1495 PolarHBondContact O-N 2.79Å; E1492-S1496 VanDerWaalsContact O-CB 3.23Å; E1492-S1496 WeakPolarHBondContact O-CB 3.37Å; E1492-S1496 PolarHBondContact O-N 3.35Å; E1492-S1496 PolarHBondContact O-OG 2.94Å; E1492-L1502 HydrophobicContact CB-CD2 4.38Å
1493I58.1Low54.8Low103 Ų103100.7 Ų100.753%0.52851%0.506SS..Hα-helixtrans-66.8-38.9171.1-71.3167.7000111.2V1489 R1490 Q1495 L1502V1489-I1493 HydrophobicContact CG1-CD1 3.69Å; V1489-I1493 HydrophobicContact CG1-CG1 4.4Å; V1489-I1493 VanDerWaalsContact O-CB 3.28Å; V1489-I1493 WeakPolarHBondContact O-CB 3.32Å; V1489-I1493 WeakPolarHBondContact O-CD1 3.28Å; V1489-I1493 WeakPolarHBondContact O-CG1 3.47Å; V1489-I1493 PolarHBondContact O-N 2.79Å; R1490-I1493 PolarHBondContact O-N 2.83Å; I1493-Q1495 VanDerWaalsContact C-N 3.26Å; I1493-Q1495 PolarHBondContact O-N 3.45Å; I1493-L1502 HydrophobicContact CG1-CD1 4.49Å
1494L65.8Low55.1Low136 Ų13697.8 Ų97.871%0.71250%0.495SS*.Hα-helixtrans-71.2-16.7175.1-82.4161.4000113.9R1490 Q1491R1490-L1494 VanDerWaalsContact O-CB 3.28Å; R1490-L1494 WeakPolarHBondContact O-CB 3.48Å; R1490-L1494 WeakPolarHBondContact O-CD1 3.47Å; R1490-L1494 WeakPolarHBondContact O-CG 3.23Å; R1490-L1494 PolarHBondContact O-N 3.46Å; Q1491-L1494 CarbonylContact O-C 3.56Å; Q1491-L1494 PolarHBondContact O-N 3.24Å
1495Q65Low55Low144 Ų14496.6 Ų96.667%0.67350%0.497SS*.Hα-helixtrans-109.9-4.3-179-69.3173.846.200113.7Q1491 E1492 I1493Q1491-Q1495 VanDerWaalsContact O-CB 3.28Å; Q1491-Q1495 WeakPolarHBondContact O-CB 3.44Å; Q1491-Q1495 WeakPolarHBondContact O-CG 3.46Å; Q1491-Q1495 PolarHBondContact O-N 2.94Å; E1492-Q1495 PolarHBondContact O-N 2.79Å; I1493-Q1495 VanDerWaalsContact C-N 3.26Å; I1493-Q1495 PolarHBondContact O-N 3.45Å
1496S56Low55Low40 Ų4095.2 Ų95.228%0.2850%0.498SS..  trans-97.6115.9-178.5-660000112.3E1492 S1498E1492-S1496 VanDerWaalsContact O-CB 3.23Å; E1492-S1496 WeakPolarHBondContact O-CB 3.37Å; E1492-S1496 PolarHBondContact O-N 3.35Å; E1492-S1496 PolarHBondContact O-OG 2.94Å; S1496-S1498 PolarHBondContact O-N 2.9Å; S1496-S1498 VanDerWaalsContact O-N 3.11Å
1497D54.6Low54.7Low179 Ų179100.2 Ų100.296%0.95751%0.512SS*.SBendtrans-62.3-16.2176.2-66.6-40.7000114.1
1498S55.2Low54.2Low51 Ų51104.7 Ų104.736%0.35753%0.532SS..SBendtrans-154.3146.2174.9173.80000111.4S1496 D1500 S1501S1496-S1498 PolarHBondContact O-N 2.9Å; S1496-S1498 VanDerWaalsContact O-N 3.11Å; S1498-D1500 PolarHBondContact O-N 3.22Å; S1498-D1500 PolarHBondContact OG-N 2.9Å; S1498-S1501 WeakPolarHBondContact O-CB 3.44Å; S1498-S1501 PolarHBondContact O-N 3.09Å; S1498-S1501 PolarHBondContact O-OG 3.35Å
1499I53.2Low53.1Low94 Ų94103.1 Ų103.148%0.48254%0.535SS..G310 helixtrans-62.9-23.6177.6-157.6166.4000113.2S1501 L1502I1499-S1501 PolarHBondContact O-N 3.32Å; I1499-L1502 HydrophobicContact CG1-CD1 4.05Å
1500D55Low52.3Low129 Ų129113 Ų11369%0.6957%0.568SS**G310 helixtrans-71.4-12.8172.8-69.1-50.4000113.5S1498 L1502S1498-D1500 PolarHBondContact O-N 3.22Å; S1498-D1500 PolarHBondContact OG-N 2.9Å; D1500-L1502 VanDerWaalsContact C-N 3.32Å
1501S61.1Low51.3Low77 Ų77112.4 Ų112.454%0.53857%0.567SS.*G310 helixtrans-81.9-11-179.7-39.10000113.1S1498 I1499S1498-S1501 WeakPolarHBondContact O-CB 3.44Å; S1498-S1501 PolarHBondContact O-N 3.09Å; S1498-S1501 PolarHBondContact O-OG 3.35Å; I1499-S1501 PolarHBondContact O-N 3.32Å
1502L51.8Low50.1Low41 Ų41113.8 Ų113.822%0.21558%0.583CS.*SBendtrans-69.4131.1-177.3-69.4171.1000111.5E1492 I1493 I1499 D1500 L1506E1492-L1502 HydrophobicContact CB-CD2 4.38Å; I1493-L1502 HydrophobicContact CG1-CD1 4.49Å; I1499-L1502 HydrophobicContact CG1-CD1 4.05Å; D1500-L1502 VanDerWaalsContact C-N 3.32Å; L1502-L1506 HydrophobicContact CB-CD1 4.34Å; L1502-L1506 HydrophobicContact CD2-CD1 4.44Å
1503H46.7Very low49.3Very low135 Ų135116 Ų11663%0.62560%0.603SS**  trans-65.6139.5-165-162.4-106.1000112.9A1505 L1506H1503-A1505 PolarHBondContact O-N 2.88Å; H1503-L1506 PolarHBondContact O-N 3.15Å; H1503-L1506 VanDerWaalsContact O-N 3.11Å
1504P46.7Very low48.4Very low86 Ų86116.1 Ų116.156%0.55861%0.613SS**G310 helixtrans-55.5-21.2-173.3-29.836.2000116.6L1506 R1507P1504-L1506 VanDerWaalsContact C-N 3.25Å; P1504-L1506 PolarHBondContact O-N 2.82Å; P1504-R1507 PolarHBondContact O-N 3.5Å
1505A44.9Very low47.3Very low57 Ų57113.7 Ų113.747%0.47160%0.604SS.*G310 helixtrans-56.5-36.9176.400000113H1503 R1507 Q1508H1503-A1505 PolarHBondContact O-N 2.88Å; A1505-R1507 PolarHBondContact O-N 2.96Å; A1505-R1507 VanDerWaalsContact O-N 3.08Å; A1505-Q1508 PolarHBondContact O-N 3.44Å
1506L45.8Very low46.5Very low89 Ų89110.2 Ų110.247%0.46659%0.594SS.*G310 helixtrans-62.9-14.9177.7-71.9169.4000113.4V1489 L1502 H1503 P1504V1489-L1506 HydrophobicContact CG2-CD2 4.12Å; L1502-L1506 HydrophobicContact CB-CD1 4.34Å; L1502-L1506 HydrophobicContact CD2-CD1 4.44Å; H1503-L1506 PolarHBondContact O-N 3.15Å; H1503-L1506 VanDerWaalsContact O-N 3.11Å; P1504-L1506 VanDerWaalsContact C-N 3.25Å; P1504-L1506 PolarHBondContact O-N 2.82Å
1507R44Very low46.5Very low187 Ų187112.7 Ų112.771%0.70660%0.603SS**G310 helixtrans-95.4-1.7-179.5-55.8-169.2-173.9-152.72.9114.2P1504 A1505P1504-R1507 PolarHBondContact O-N 3.5Å; A1505-R1507 PolarHBondContact O-N 2.96Å; A1505-R1507 VanDerWaalsContact O-N 3.08Å
1508Q45.8Very low46.8Very low177 Ų177113 Ų11383%0.82759%0.591SS**THydrogen-bonded Turntrans-139.5-9.4-166.2-66.6-170.2-17.100117.9A1505A1505-Q1508 PolarHBondContact O-N 3.44Å
1509S32.1Very low47Very low77 Ų77114.5 Ų114.554%0.53860%0.595SS.*  trans-106.9104.1-172.262.10000115.7Y1511S1509-Y1511 WeakPolarHBondContact O-CD2 3.18Å; S1509-Y1511 PolarHBondContact O-N 3.31Å
1510R36.2Very low47.6Very low245 Ų245116 Ų11693%0.92560%0.596SS**  trans-4103.1157.1-57.5176.1-177.3-176.8-0.1117.8
1511Y37Very low48.3Very low139 Ų139111.2 Ų111.255%0.54557%0.569SS.*  trans-128.8137.8151.6-72.3-85.3000109.4H1482 S1509H1482-Y1511 AromaticContact CD2-CE1 3.87Å; H1482-Y1511 PolarHBondContact CE1-OH 2.66Å; H1482-Y1511 AromaticContact NE2-CE1 3.73Å; H1482-Y1511 PolarHBondContact NE2-OH 3.11Å; S1509-Y1511 WeakPolarHBondContact O-CD2 3.18Å; S1509-Y1511 PolarHBondContact O-N 3.31Å
1512P38.6Very low48.8Very low112 Ų112110.2 Ų110.273%0.72757%0.565SS**  trans-92.7142.4-174.734.5-33000113.6
1513T41.1Very low49.8Very low138 Ų138112.4 Ų112.485%0.84758%0.576SS**SBendtrans60.9133.8166.449.70000118.3
1514S39.7Very low51Low106 Ų106110 Ų11074%0.74157%0.566SS**  cis-155.684.8-11.255.80000111.6
1515V42Very low52.4Low84 Ų84109.3 Ų109.351%0.50956%0.557SS.*SBendtrans-104.9121.7151.4-178.50000105.5D1519 L1523V1515-D1519 HydrophobicContact CG1-CB 3.73Å; V1515-L1523 HydrophobicContact CG1-CD1 4.44Å
1516P48.3Very low54Low72 Ų72111.8 Ų111.847%0.46856%0.558SS.*  trans-51.6143.4171.7-27.735.7000110.5R1518 D1519 Y1520P1516-R1518 PolarHBondContact O-N 3.2Å; P1516-D1519 HydrophobicContact CB-CB 4.2Å; P1516-D1519 VanDerWaalsContact CD-OD2 3.27Å; P1516-D1519 WeakPolarHBondContact CD-OD2 3.14Å; P1516-D1519 HydrophobicContact CG-CB 4.43Å; P1516-D1519 VanDerWaalsContact CG-OD2 3.26Å; P1516-D1519 WeakPolarHBondContact CG-OD2 3.34Å; P1516-D1519 WeakPolarHBondContact O-CA 3.33Å; P1516-D1519 WeakPolarHBondContact O-CB 3.46Å; P1516-D1519 PolarHBondContact O-N 3.37Å; P1516-Y1520 PolarHBondContact O-N 3.21Å
1517I57Low55.5Low92 Ų92111.8 Ų111.847%0.47256%0.559SS.*Hα-helixtrans-56.1-40.6-177.9-88.1171.1000111.4F1367 D1519 Y1520 E1521F1367-I1517 HydrophobicContact CD1-CD1 4.03Å; F1367-I1517 HydrophobicContact CD1-CG2 3.86Å; F1367-I1517 HydrophobicContact CD2-CG2 3.57Å; F1367-I1517 HydrophobicContact CE1-CD1 3.93Å; F1367-I1517 HydrophobicContact CE1-CG2 3.64Å; F1367-I1517 HydrophobicContact CE2-CG2 3.33Å; F1367-I1517 HydrophobicContact CG-CG2 3.84Å; F1367-I1517 HydrophobicContact CZ-CG2 3.37Å; I1517-D1519 VanDerWaalsContact C-N 3.3Å; I1517-D1519 PolarHBondContact O-N 2.87Å; I1517-Y1520 PolarHBondContact O-N 3.44Å; I1517-E1521 WeakPolarHBondContact O-CG 3.47Å; I1517-E1521 PolarHBondContact O-N 2.87Å
1518R60.1Low57.1Low184 Ų184106.3 Ų106.369%0.69455%0.546SS*.Hα-helixtrans-58.7-37172.7-84.5-169.2-86.4-167-8.3113.6L1364 P1516 E1521 A1522L1364-R1518 HydrophobicContact CD2-CG 4.31Å; P1516-R1518 PolarHBondContact O-N 3.2Å; R1518-E1521 PolarHBondContact O-N 2.84Å; R1518-A1522 VanDerWaalsContact O-CB 3.29Å; R1518-A1522 WeakPolarHBondContact O-CB 3.26Å; R1518-A1522 PolarHBondContact O-N 3.31Å
1519D59.7Low58.7Low84 Ų84101.5 Ų101.545%0.44953%0.526SS..Hα-helixtrans-77.6-32.5-179.5-58.43.5000110.9V1515 P1516 I1517 L1523V1515-D1519 HydrophobicContact CG1-CB 3.73Å; P1516-D1519 HydrophobicContact CB-CB 4.2Å; P1516-D1519 VanDerWaalsContact CD-OD2 3.27Å; P1516-D1519 WeakPolarHBondContact CD-OD2 3.14Å; P1516-D1519 HydrophobicContact CG-CB 4.43Å; P1516-D1519 VanDerWaalsContact CG-OD2 3.26Å; P1516-D1519 WeakPolarHBondContact CG-OD2 3.34Å; P1516-D1519 WeakPolarHBondContact O-CA 3.33Å; P1516-D1519 WeakPolarHBondContact O-CB 3.46Å; P1516-D1519 PolarHBondContact O-N 3.37Å; I1517-D1519 VanDerWaalsContact C-N 3.3Å; I1517-D1519 PolarHBondContact O-N 2.87Å; D1519-L1523 VanDerWaalsContact O-CB 3.3Å; D1519-L1523 WeakPolarHBondContact O-CB 3.38Å; D1519-L1523 WeakPolarHBondContact O-CG 3.38Å; D1519-L1523 PolarHBondContact O-N 3.49Å
1520Y65.7Low61Low126 Ų126101 Ų10149%0.49452%0.517SS..Hα-helixtrans-67.9-38.5171-178.9-97.8000111.2P1516 I1517 L1523 Q1524P1516-Y1520 PolarHBondContact O-N 3.21Å; I1517-Y1520 PolarHBondContact O-N 3.44Å; Y1520-L1523 PolarHBondContact O-N 3.48Å; Y1520-Q1524 HydrophobicContact CD1-CG 4.43Å; Y1520-Q1524 HydrophobicContact CE1-CG 4.02Å; Y1520-Q1524 WeakPolarHBondContact O-CG 3.26Å; Y1520-Q1524 PolarHBondContact O-N 2.83Å; Y1520-Q1524 PolarHBondContact OH-NE2 3.44Å; Y1520-Q1524 VanDerWaalsContact OH-NE2 3.11Å
1521E70.1Confident63Low28 Ų2893 Ų9313%0.13149%0.49CS..Hα-helixtrans-71.1-38.5173.1-66.7-153.6115.400112.7K1363 F1367 I1517 R1518 L1523 Q1524 L1525K1363-E1521 WeakPolarHBondContact CD-OE1 3.43Å; K1363-E1521 WeakPolarHBondContact CE-OE1 3.34Å; K1363-E1521 IonicContact NZ-OE1 3.37Å; K1363-E1521 PolarHBondContact NZ-OE1 3.39Å; F1367-E1521 WeakPolarHBondContact CE2-OE2 3.43Å; I1517-E1521 WeakPolarHBondContact O-CG 3.47Å; I1517-E1521 PolarHBondContact O-N 2.87Å; R1518-E1521 PolarHBondContact O-N 2.84Å; E1521-L1523 VanDerWaalsContact C-N 3.3Å; E1521-L1523 PolarHBondContact O-N 3.18Å; E1521-Q1524 PolarHBondContact O-N 3.07Å; E1521-L1525 WeakPolarHBondContact O-CB 3.42Å; E1521-L1525 WeakPolarHBondContact O-CG 3.43Å; E1521-L1525 PolarHBondContact O-N 3.36Å
1522A71.5Confident65.1Low55 Ų5590.4 Ų90.446%0.45549%0.486SS..Hα-helixtrans-62.4-38.6170.900000111.2R1518 L1525 H1526R1518-A1522 VanDerWaalsContact O-CB 3.29Å; R1518-A1522 WeakPolarHBondContact O-CB 3.26Å; R1518-A1522 PolarHBondContact O-N 3.31Å; A1522-L1525 PolarHBondContact O-N 2.92Å; A1522-H1526 WeakPolarHBondContact O-CB 3.42Å; A1522-H1526 PolarHBondContact O-N 2.91Å
1523L72.1Confident67.3Low87 Ų8789.7 Ų89.746%0.45547%0.473SS..Hα-helixtrans-67.1-38170.9-87.1160.9000112.4V1515 D1519 Y1520 E1521 N1527V1515-L1523 HydrophobicContact CG1-CD1 4.44Å; D1519-L1523 VanDerWaalsContact O-CB 3.3Å; D1519-L1523 WeakPolarHBondContact O-CB 3.38Å; D1519-L1523 WeakPolarHBondContact O-CG 3.38Å; D1519-L1523 PolarHBondContact O-N 3.49Å; Y1520-L1523 PolarHBondContact O-N 3.48Å; E1521-L1523 VanDerWaalsContact C-N 3.3Å; E1521-L1523 PolarHBondContact O-N 3.18Å; L1523-N1527 VanDerWaalsContact O-CB 3.25Å; L1523-N1527 WeakPolarHBondContact O-CB 3.45Å; L1523-N1527 PolarHBondContact O-N 3.46Å; L1523-N1527 PolarHBondContact O-ND2 3.47Å
1524Q73.3Confident69.2Low85 Ų8588.7 Ų88.740%0.39746%0.462SS..Hα-helixtrans-66.5-42.5173.5-78.8-164.5-11.500111.9Y1520 E1521 T1528Y1520-Q1524 HydrophobicContact CD1-CG 4.43Å; Y1520-Q1524 HydrophobicContact CE1-CG 4.02Å; Y1520-Q1524 WeakPolarHBondContact O-CG 3.26Å; Y1520-Q1524 PolarHBondContact O-N 2.83Å; Y1520-Q1524 PolarHBondContact OH-NE2 3.44Å; Y1520-Q1524 VanDerWaalsContact OH-NE2 3.11Å; E1521-Q1524 PolarHBondContact O-N 3.07Å; Q1524-T1528 VanDerWaalsContact O-CB 3.23Å; Q1524-T1528 WeakPolarHBondContact O-CB 3.39Å; Q1524-T1528 PolarHBondContact O-N 2.88Å; Q1524-T1528 PolarHBondContact O-OG1 3.34Å
1525L75.7Confident71.1Confident71 Ų7189.8 Ų89.837%0.37246%0.455SS..Hα-helixtrans-63.1-47.5174.6-80.3158.5000111.5M1356 E1521 A1522 T1528 D1529M1356-L1525 HydrophobicContact SD-CD2 3.9Å; E1521-L1525 WeakPolarHBondContact O-CB 3.42Å; E1521-L1525 WeakPolarHBondContact O-CG 3.43Å; E1521-L1525 PolarHBondContact O-N 3.36Å; A1522-L1525 PolarHBondContact O-N 2.92Å; L1525-T1528 PolarHBondContact O-N 2.78Å; L1525-D1529 WeakPolarHBondContact O-CB 3.16Å; L1525-D1529 PolarHBondContact O-N 3.38Å
1526H78.9Confident72.9Confident109 Ų10990.9 Ų90.951%0.50546%0.455SS..Hα-helixtrans-66.5-38.3178.8-176.545.5000112.2A1522 D1529 L1530A1522-H1526 WeakPolarHBondContact O-CB 3.42Å; A1522-H1526 PolarHBondContact O-N 2.91Å; H1526-D1529 PolarHBondContact O-N 3.19Å; H1526-L1530 VanDerWaalsContact O-CB 3.3Å; H1526-L1530 WeakPolarHBondContact O-CB 3.38Å; H1526-L1530 WeakPolarHBondContact O-CG 3.42Å; H1526-L1530 PolarHBondContact O-N 2.86Å
1527N76Confident74.4Confident89 Ų8991.7 Ų91.748%0.47645%0.454SS..Hα-helixtrans-68.7-36.8172.2-80-69.3000112L1523 L1530 Q1531L1523-N1527 VanDerWaalsContact O-CB 3.25Å; L1523-N1527 WeakPolarHBondContact O-CB 3.45Å; L1523-N1527 PolarHBondContact O-N 3.46Å; L1523-N1527 PolarHBondContact O-ND2 3.47Å; N1527-L1530 PolarHBondContact O-N 3.44Å; N1527-Q1531 WeakPolarHBondContact O-CB 3.3Å; N1527-Q1531 PolarHBondContact O-N 3.39Å
1528T78.7Confident75.4Confident72 Ų7290.7 Ų90.744%0.44246%0.456SS..Hα-helixtrans-67.3-39.8175.6-61.40000110.8Q1524 L1525 Q1531 N1532Q1524-T1528 VanDerWaalsContact O-CB 3.23Å; Q1524-T1528 WeakPolarHBondContact O-CB 3.39Å; Q1524-T1528 PolarHBondContact O-N 2.88Å; Q1524-T1528 PolarHBondContact O-OG1 3.34Å; L1525-T1528 PolarHBondContact O-N 2.78Å; T1528-Q1531 PolarHBondContact O-N 2.92Å; T1528-N1532 WeakPolarHBondContact O-CB 3.38Å; T1528-N1532 PolarHBondContact O-N 2.95Å; T1528-N1532 PolarHBondContact O-ND2 2.93Å
1529D78.8Confident76.3Confident76 Ų7684.3 Ų84.341%0.40644%0.443SS..Hα-helixtrans-68.6-43.9174.5-168.757.9000111.7L1525 H1526 Q1531 N1532 Q1533L1525-D1529 WeakPolarHBondContact O-CB 3.16Å; L1525-D1529 PolarHBondContact O-N 3.38Å; H1526-D1529 PolarHBondContact O-N 3.19Å; D1529-Q1531 VanDerWaalsContact C-N 3.27Å; D1529-Q1531 PolarHBondContact O-N 3.43Å; D1529-N1532 CarbonylContact O-C 3.52Å; D1529-N1532 PolarHBondContact O-N 3.29Å; D1529-Q1533 WeakPolarHBondContact O-CB 3.35Å; D1529-Q1533 VanDerWaalsContact O-CG 3.27Å; D1529-Q1533 WeakPolarHBondContact O-CG 3.33Å; D1529-Q1533 PolarHBondContact O-N 2.73Å; D1529-Q1533 PolarHBondContact OD2-NE2 3.14Å
1530L79.6Confident77.2Confident66 Ų6684.3 Ų84.335%0.34644%0.442SS..Hα-helixtrans-58-38.5169.9-85.3165.7000112.4H1526 N1527 Q1533 L1534H1526-L1530 VanDerWaalsContact O-CB 3.3Å; H1526-L1530 WeakPolarHBondContact O-CB 3.38Å; H1526-L1530 WeakPolarHBondContact O-CG 3.42Å; H1526-L1530 PolarHBondContact O-N 2.86Å; N1527-L1530 PolarHBondContact O-N 3.44Å; L1530-Q1533 PolarHBondContact O-N 2.85Å; L1530-L1534 VanDerWaalsContact O-CB 3.27Å; L1530-L1534 WeakPolarHBondContact O-CB 3.33Å; L1530-L1534 WeakPolarHBondContact O-CG 3.3Å; L1530-L1534 PolarHBondContact O-N 3.45Å
1531Q80Confident77.8Confident77 Ų7784.8 Ų84.836%0.3645%0.447SS..Hα-helixtrans-73.2-34.6178.4-166.7168.125.400111.6N1527 T1528 D1529 Q1535N1527-Q1531 WeakPolarHBondContact O-CB 3.3Å; N1527-Q1531 PolarHBondContact O-N 3.39Å; T1528-Q1531 PolarHBondContact O-N 2.92Å; D1529-Q1531 VanDerWaalsContact C-N 3.27Å; D1529-Q1531 PolarHBondContact O-N 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CB 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CG 3.12Å; Q1531-Q1535 PolarHBondContact O-N 3.34Å
1532N81Confident78.2Confident86 Ų8687.8 Ų87.846%0.4646%0.461SS..Hα-helixtrans-67.7-44.2169.8-71.5-28.1000111.4T1528 D1529 L1534 Q1535 Q1536T1528-N1532 WeakPolarHBondContact O-CB 3.38Å; T1528-N1532 PolarHBondContact O-N 2.95Å; T1528-N1532 PolarHBondContact O-ND2 2.93Å; D1529-N1532 CarbonylContact O-C 3.52Å; D1529-N1532 PolarHBondContact O-N 3.29Å; N1532-L1534 VanDerWaalsContact C-N 3.34Å; N1532-Q1535 CarbonylContact O-C 3.57Å; N1532-Q1535 PolarHBondContact O-N 3.16Å; N1532-Q1536 VanDerWaalsContact O-CB 3.31Å; N1532-Q1536 WeakPolarHBondContact O-CB 3.42Å; N1532-Q1536 PolarHBondContact O-N 2.97Å
1533Q84.2Confident78.3Confident97 Ų9787.2 Ų87.245%0.45346%0.457SS..Hα-helixtrans-63.2-39.3174.6-71.7-177.635.100111.1D1529 L1530 Q1536 L1537D1529-Q1533 WeakPolarHBondContact O-CB 3.35Å; D1529-Q1533 VanDerWaalsContact O-CG 3.27Å; D1529-Q1533 WeakPolarHBondContact O-CG 3.33Å; D1529-Q1533 PolarHBondContact O-N 2.73Å; D1529-Q1533 PolarHBondContact OD2-NE2 3.14Å; L1530-Q1533 PolarHBondContact O-N 2.85Å; Q1533-Q1536 PolarHBondContact O-N 2.99Å; Q1533-L1537 VanDerWaalsContact O-CB 3.26Å; Q1533-L1537 WeakPolarHBondContact O-CB 3.48Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.22Å; Q1533-L1537 PolarHBondContact O-N 3.43Å
1534L80.6Confident78.2Confident117 Ų11788 Ų8861%0.61346%0.461SS*.Hα-helixtrans-68.1-38.5172.4-87.8162.1000112.5L1530 N1532 S1538L1530-L1534 VanDerWaalsContact O-CB 3.27Å; L1530-L1534 WeakPolarHBondContact O-CB 3.33Å; L1530-L1534 WeakPolarHBondContact O-CG 3.3Å; L1530-L1534 PolarHBondContact O-N 3.45Å; N1532-L1534 VanDerWaalsContact C-N 3.34Å; L1534-S1538 WeakPolarHBondContact O-CB 3.41Å; L1534-S1538 PolarHBondContact O-N 3.03Å
1535Q80.2Confident78.1Confident128 Ų12891.1 Ų91.160%0.59847%0.469SS*.Hα-helixtrans-67.2-38.8172.5-80.7-170.92.100111.9Q1531 N1532 S1538 A1539Q1531-Q1535 WeakPolarHBondContact O-CB 3.43Å; Q1531-Q1535 WeakPolarHBondContact O-CG 3.12Å; Q1531-Q1535 PolarHBondContact O-N 3.34Å; N1532-Q1535 CarbonylContact O-C 3.57Å; N1532-Q1535 PolarHBondContact O-N 3.16Å; Q1535-S1538 PolarHBondContact O-N 3.29Å; Q1535-A1539 WeakPolarHBondContact O-CB 3.36Å; Q1535-A1539 PolarHBondContact O-N 3.47Å
1536Q79Confident77.9Confident107 Ų10791 Ų9150%0.547%0.474SS..Hα-helixtrans-68.5-48.5176.8-176.457.14400110.8N1532 Q1533 S1538 A1539 D1540N1532-Q1536 VanDerWaalsContact O-CB 3.31Å; N1532-Q1536 WeakPolarHBondContact O-CB 3.42Å; N1532-Q1536 PolarHBondContact O-N 2.97Å; Q1533-Q1536 PolarHBondContact O-N 2.99Å; Q1536-S1538 VanDerWaalsContact C-N 3.3Å; Q1536-S1538 PolarHBondContact O-N 3.1Å; Q1536-A1539 CarbonylContact O-C 3.6Å; Q1536-A1539 PolarHBondContact O-N 3.11Å; Q1536-D1540 PolarHBondContact NE2-OD1 3.44Å; Q1536-D1540 PolarHBondContact NE2-OD2 2.89Å; Q1536-D1540 WeakPolarHBondContact O-CB 3.44Å; Q1536-D1540 PolarHBondContact O-N 2.91Å
1537L79.8Confident77.3Confident89 Ų8993.2 Ų93.247%0.46648%0.482SS..Hα-helixtrans-59.1-40.1172-81163.2000111.8Q1533 D1540 F1541Q1533-L1537 VanDerWaalsContact O-CB 3.26Å; Q1533-L1537 WeakPolarHBondContact O-CB 3.48Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.22Å; Q1533-L1537 PolarHBondContact O-N 3.43Å; L1537-D1540 PolarHBondContact O-N 3.15Å; L1537-F1541 HydrophobicContact CB-CD2 4.46Å; L1537-F1541 HydrophobicContact CB-CE2 4.44Å; L1537-F1541 HydrophobicContact CD2-CE2 4.27Å; L1537-F1541 VanDerWaalsContact O-CB 3.27Å; L1537-F1541 WeakPolarHBondContact O-CB 3.34Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.36Å; L1537-F1541 WeakPolarHBondContact O-CG 3.46Å; L1537-F1541 PolarHBondContact O-N 3.41Å
1538S78.4Confident76.3Confident71 Ų7192.4 Ų92.450%0.49748%0.483SS..Hα-helixtrans-66.2-42.5175.5-172.10000111.7L1534 Q1535 Q1536 F1541 E1542L1534-S1538 WeakPolarHBondContact O-CB 3.41Å; L1534-S1538 PolarHBondContact O-N 3.03Å; Q1535-S1538 PolarHBondContact O-N 3.29Å; Q1536-S1538 VanDerWaalsContact C-N 3.3Å; Q1536-S1538 PolarHBondContact O-N 3.1Å; S1538-F1541 PolarHBondContact O-N 3.49Å; S1538-E1542 VanDerWaalsContact O-CB 3.26Å; S1538-E1542 WeakPolarHBondContact O-CB 3.37Å; S1538-E1542 PolarHBondContact O-N 3.3Å
1539A79.2Confident75.2Confident51 Ų5192 Ų9242%0.42148%0.48SS..Hα-helixtrans-67-38.7175.600000112Q1535 Q1536 E1542 A1543Q1535-A1539 WeakPolarHBondContact O-CB 3.36Å; Q1535-A1539 PolarHBondContact O-N 3.47Å; Q1536-A1539 CarbonylContact O-C 3.6Å; Q1536-A1539 PolarHBondContact O-N 3.11Å; A1539-E1542 CarbonylContact O-C 3.6Å; A1539-E1542 PolarHBondContact O-N 3.07Å; A1539-A1543 WeakPolarHBondContact O-CB 3.4Å; A1539-A1543 PolarHBondContact O-N 3.35Å
1540D78.2Confident73.9Confident83 Ų8391.9 Ų91.944%0.44449%0.49SS..Hα-helixtrans-69.3-39.2174.6-75.6-35.9000111.1Q1536 L1537 A1543 L1544Q1536-D1540 PolarHBondContact NE2-OD1 3.44Å; Q1536-D1540 PolarHBondContact NE2-OD2 2.89Å; Q1536-D1540 WeakPolarHBondContact O-CB 3.44Å; Q1536-D1540 PolarHBondContact O-N 2.91Å; L1537-D1540 PolarHBondContact O-N 3.15Å; D1540-A1543 PolarHBondContact O-N 2.86Å; D1540-L1544 WeakPolarHBondContact O-CB 3.33Å; D1540-L1544 PolarHBondContact O-N 2.9Å
1541F78.9Confident72.1Confident137 Ų13792 Ų9260%0.60150%0.501SS*.Hα-helixtrans-68.7-36171.1-77.4-52.1000112.3L1537 S1538 A1543 R1545L1537-F1541 HydrophobicContact CB-CD2 4.46Å; L1537-F1541 HydrophobicContact CB-CE2 4.44Å; L1537-F1541 HydrophobicContact CD2-CE2 4.27Å; L1537-F1541 VanDerWaalsContact O-CB 3.27Å; L1537-F1541 WeakPolarHBondContact O-CB 3.34Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.36Å; L1537-F1541 WeakPolarHBondContact O-CG 3.46Å; L1537-F1541 PolarHBondContact O-N 3.41Å; S1538-F1541 PolarHBondContact O-N 3.49Å; F1541-A1543 VanDerWaalsContact C-N 3.35Å; F1541-R1545 WeakPolarHBondContact O-CA 3.45Å; F1541-R1545 WeakPolarHBondContact O-CB 3.34Å; F1541-R1545 PolarHBondContact O-N 2.88Å
1542E77.3Confident70.3Confident90 Ų9092.3 Ų92.342%0.42151%0.51SS..Hα-helixtrans-74.6-26.7175.2-159.167.1-109.800111S1538 A1539 R1545 S1546S1538-E1542 VanDerWaalsContact O-CB 3.26Å; S1538-E1542 WeakPolarHBondContact O-CB 3.37Å; S1538-E1542 PolarHBondContact O-N 3.3Å; A1539-E1542 CarbonylContact O-C 3.6Å; A1539-E1542 PolarHBondContact O-N 3.07Å; E1542-R1545 WeakPolarHBondContact OE1-CD 3.35Å; E1542-R1545 IonicContact OE1-CZ 2.7Å; E1542-R1545 IonicContact OE1-NE 2.65Å; E1542-R1545 IonicContact OE1-NH1 2.69Å; E1542-R1545 PolarHBondContact OE1-NH1 2.71Å; E1542-R1545 IonicContact OE2-NH1 2.71Å; E1542-R1545 PolarHBondContact OE2-NH1 3.07Å; E1542-S1546 WeakPolarHBondContact O-CA 3.48Å; E1542-S1546 WeakPolarHBondContact O-CB 3.48Å; E1542-S1546 PolarHBondContact O-N 3.01Å; E1542-S1546 PolarHBondContact O-OG 3.37Å
1543A73.7Confident68.5Low43 Ų4391.5 Ų91.536%0.35551%0.511SS..Hα-helixtrans-77.3-40.3170.600000112.3A1539 D1540 F1541 S1546 K1547A1539-A1543 WeakPolarHBondContact O-CB 3.4Å; A1539-A1543 PolarHBondContact O-N 3.35Å; D1540-A1543 PolarHBondContact O-N 2.86Å; F1541-A1543 VanDerWaalsContact C-N 3.35Å; A1543-S1546 PolarHBondContact O-N 3.28Å; A1543-K1547 WeakPolarHBondContact O-CB 3.39Å; A1543-K1547 WeakPolarHBondContact O-CG 3.39Å; A1543-K1547 PolarHBondContact O-N 3.49Å
1544L71Confident66.4Low105 Ų10590.2 Ų90.255%0.5551%0.513SS..Hα-helixtrans-63.3-45.8170-131.182.7000109.7D1540 S1546 K1547 C1548D1540-L1544 WeakPolarHBondContact O-CB 3.33Å; D1540-L1544 PolarHBondContact O-N 2.9Å; L1544-S1546 VanDerWaalsContact C-N 3.33Å; L1544-S1546 PolarHBondContact O-N 2.89Å; L1544-K1547 PolarHBondContact O-N 2.84Å; L1544-C1548 WeakPolarHBondContact O-CB 3.41Å; L1544-C1548 PolarHBondContact O-N 2.88Å; L1544-C1548 PolarHBondContact O-SG 3.34Å
1545R70.3Confident64Low150 Ų15086.4 Ų86.457%0.56650%0.498SS*.Hα-helixtrans-65.2-35.3175.2-177176.8177.1-151.28.2111.2F1541 E1542 T1549F1541-R1545 WeakPolarHBondContact O-CA 3.45Å; F1541-R1545 WeakPolarHBondContact O-CB 3.34Å; F1541-R1545 PolarHBondContact O-N 2.88Å; E1542-R1545 WeakPolarHBondContact OE1-CD 3.35Å; E1542-R1545 IonicContact OE1-CZ 2.7Å; E1542-R1545 IonicContact OE1-NE 2.65Å; E1542-R1545 IonicContact OE1-NH1 2.69Å; E1542-R1545 PolarHBondContact OE1-NH1 2.71Å; E1542-R1545 IonicContact OE2-NH1 2.71Å; E1542-R1545 PolarHBondContact OE2-NH1 3.07Å; R1545-T1549 WeakPolarHBondContact O-CA 3.37Å; R1545-T1549 WeakPolarHBondContact O-CB 3.48Å; R1545-T1549 PolarHBondContact O-N 2.83Å; R1545-T1549 PolarHBondContact O-OG1 3.01Å
1546S71.2Confident61.9Low68 Ų6884.6 Ų84.648%0.47650%0.5SS..Hα-helixtrans-70.4-37.3173.3-68.80000112E1542 A1543 L1544 A1550E1542-S1546 WeakPolarHBondContact O-CA 3.48Å; E1542-S1546 WeakPolarHBondContact O-CB 3.48Å; E1542-S1546 PolarHBondContact O-N 3.01Å; E1542-S1546 PolarHBondContact O-OG 3.37Å; A1543-S1546 PolarHBondContact O-N 3.28Å; L1544-S1546 VanDerWaalsContact C-N 3.33Å; L1544-S1546 PolarHBondContact O-N 2.89Å; S1546-A1550 WeakPolarHBondContact O-CB 3.44Å; S1546-A1550 PolarHBondContact O-N 3.28Å
1547K67.9Low60.1Low155 Ų15583.5 Ų83.567%0.67450%0.497SS*.Hα-helixtrans-63.4-50.7170.6-76.1171.6178.3172.30111.3A1543 L1544 T1549 A1550 A1551A1543-K1547 WeakPolarHBondContact O-CB 3.39Å; A1543-K1547 WeakPolarHBondContact O-CG 3.39Å; A1543-K1547 PolarHBondContact O-N 3.49Å; L1544-K1547 PolarHBondContact O-N 2.84Å; K1547-T1549 PolarHBondContact O-N 3.38Å; K1547-A1550 PolarHBondContact O-N 2.88Å; K1547-A1551 WeakPolarHBondContact O-CB 3.28Å; K1547-A1551 PolarHBondContact O-N 3.46Å
1548C54.3Low58Low72 Ų7288 Ų8849%0.48651%0.513SS..Hα-helixtrans-66.3-33.7177.2-67.50000112.6L1544 A1551 C1552L1544-C1548 WeakPolarHBondContact O-CB 3.41Å; L1544-C1548 PolarHBondContact O-N 2.88Å; L1544-C1548 PolarHBondContact O-SG 3.34Å; C1548-A1551 CarbonylContact O-C 3.59Å; C1548-A1551 PolarHBondContact O-N 2.93Å; C1548-C1552 WeakPolarHBondContact O-CB 3.3Å; C1548-C1552 PolarHBondContact O-N 3.23Å; C1548-C1552 PolarHBondContact O-SG 2.83Å
1549T56.4Low56.2Low63 Ų6391.2 Ų91.239%0.38753%0.525SS..Hα-helixtrans-80.4-29.9178.3-57.10000111.1R1545 K1547 A1551 S1553R1545-T1549 WeakPolarHBondContact O-CA 3.37Å; R1545-T1549 WeakPolarHBondContact O-CB 3.48Å; R1545-T1549 PolarHBondContact O-N 2.83Å; R1545-T1549 PolarHBondContact O-OG1 3.01Å; K1547-T1549 PolarHBondContact O-N 3.38Å; T1549-A1551 VanDerWaalsContact C-N 3.34Å; T1549-S1553 VanDerWaalsContact CG2-OG 3.24Å; T1549-S1553 WeakPolarHBondContact CG2-OG 3.46Å; T1549-S1553 WeakPolarHBondContact O-CA 3.33Å; T1549-S1553 WeakPolarHBondContact O-CB 3.27Å; T1549-S1553 PolarHBondContact O-N 3.42Å; T1549-S1553 PolarHBondContact O-OG 3.2Å
1550A51.7Low54.1Low75 Ų7590.6 Ų90.662%0.6252%0.518SS*.Hα-helixtrans-66.3-37.4165.300000111.4S1546 K1547S1546-A1550 WeakPolarHBondContact O-CB 3.44Å; S1546-A1550 PolarHBondContact O-N 3.28Å; K1547-A1550 PolarHBondContact O-N 2.88Å
1551A41.3Very low51.9Low69 Ų6993.7 Ų93.757%0.5753%0.533SS*.Hα-helixtrans-73-28.6175.200000114.1K1547 C1548 T1549 S1554K1547-A1551 WeakPolarHBondContact O-CB 3.28Å; K1547-A1551 PolarHBondContact O-N 3.46Å; C1548-A1551 CarbonylContact O-C 3.59Å; C1548-A1551 PolarHBondContact O-N 2.93Å; T1549-A1551 VanDerWaalsContact C-N 3.34Å; A1551-S1554 PolarHBondContact O-OG 3.49Å
1552C41.3Very low49.9Very low83 Ų8392.9 Ų92.956%0.56155%0.545SS*.Hα-helixtrans-107.3-19.4-175.2-66.60000115.2C1548 S1554 A1555C1548-C1552 WeakPolarHBondContact O-CB 3.3Å; C1548-C1552 PolarHBondContact O-N 3.23Å; C1548-C1552 PolarHBondContact O-SG 2.83Å; C1552-S1554 VanDerWaalsContact C-N 3.25Å; C1552-S1554 PolarHBondContact O-N 2.71Å; C1552-A1555 CarbonylContact O-C 3.55Å; C1552-A1555 WeakPolarHBondContact O-CA 3.49Å; C1552-A1555 PolarHBondContact O-N 2.97Å
1553S43.7Very low48Very low69 Ų6996.6 Ų96.648%0.48356%0.562SS.*Hα-helixtrans-67.8-29.9177.8-64.60000112.3T1549 A1555 S1556T1549-S1553 VanDerWaalsContact CG2-OG 3.24Å; T1549-S1553 WeakPolarHBondContact CG2-OG 3.46Å; T1549-S1553 WeakPolarHBondContact O-CA 3.33Å; T1549-S1553 WeakPolarHBondContact O-CB 3.27Å; T1549-S1553 PolarHBondContact O-N 3.42Å; T1549-S1553 PolarHBondContact O-OG 3.2Å; S1553-A1555 PolarHBondContact O-N 2.95Å; S1553-S1556 PolarHBondContact O-OG 3.46Å
1554S39.2Very low46.3Very low70 Ų7098.5 Ų98.549%0.4957%0.573SS.*THydrogen-bonded Turntrans-59.3-17.5167.343.40000113.8L1179 A1551 C1552L1179-S1554 WeakPolarHBondContact CD2-O 3.46Å; A1551-S1554 PolarHBondContact O-OG 3.49Å; C1552-S1554 VanDerWaalsContact C-N 3.25Å; C1552-S1554 PolarHBondContact O-N 2.71Å
1555A31.3Very low44.4Very low36 Ų36101.3 Ų101.330%0.29859%0.587SS.*THydrogen-bonded Turntrans-119.530.1-17100000114.2L1179 C1552 S1553 N1557L1179-A1555 HydrophobicContact CD1-CB 3.64Å; C1552-A1555 CarbonylContact O-C 3.55Å; C1552-A1555 WeakPolarHBondContact O-CA 3.49Å; C1552-A1555 PolarHBondContact O-N 2.97Å; S1553-A1555 PolarHBondContact O-N 2.95Å; A1555-N1557 PolarHBondContact O-N 3.35Å; A1555-N1557 VanDerWaalsContact O-N 3.1Å
1556S36.4Very low42.7Very low91 Ų91101.5 Ų101.564%0.63660%0.595SS**  trans-86.848.9-171.251.60000115.8S1553S1553-S1556 PolarHBondContact O-OG 3.46Å
1557N40.4Very low40.9Very low83 Ų83105.6 Ų105.644%0.44461%0.609SS.*SBendtrans-146.280.6167.7-104.2-33.2000114.6A1555 N1559A1555-N1557 PolarHBondContact O-N 3.35Å; A1555-N1557 VanDerWaalsContact O-N 3.1Å; N1557-N1559 PolarHBondContact O-N 3.49Å
1558K34.9Very low39.4Very low183 Ų183104.3 Ų104.380%0.79661%0.606SS**SBendtrans23.182.8137-54.3171.7-175.3174.30118.2
1559N40.8Very low38.6Very low139 Ų139106.5 Ų106.574%0.74362%0.617SS**SBendtrans173.442.2135.9-86-20.1000115.6N1557N1557-N1559 PolarHBondContact O-N 3.49Å
1560S36.2Very low37.6Very low39 Ų39109.1 Ų109.127%0.27363%0.633SS.*SBendtrans-143.8-17.1179.257.80000117.4S1562S1560-S1562 VanDerWaalsContact C-N 3.29Å; S1560-S1562 PolarHBondContact O-N 2.86Å; S1560-S1562 VanDerWaalsContact O-N 3.11Å
1561L31.9Very low36.7Very low147 Ų147111.8 Ų111.877%0.7764%0.636SS**THydrogen-bonded Turntrans-82.818.7-166.2-85.8164000116.6
1562S36.4Very low36.4Very low120 Ų120113.1 Ų113.184%0.83963%0.634SS**THydrogen-bonded Turntrans-89.4-2-173.850.60000116S1560S1560-S1562 VanDerWaalsContact C-N 3.29Å; S1560-S1562 PolarHBondContact O-N 2.86Å; S1560-S1562 VanDerWaalsContact O-N 3.11Å
1563E36.9Very low35.9Very low169 Ų169115.4 Ų115.479%0.7965%0.645SS**SBendtrans-119.3-9.4-165.8-159.8149.2-154.200115.1
1564S37.8Very low35.6Very low83 Ų83118.1 Ų118.158%0.5866%0.659SS**SBendtrans-100.117.9-174.6-170.20000115.1
1565L32.8Very low35.4Very low163 Ų163125.8 Ų125.885%0.85368%0.677SS**SBendtrans-144.647.6-176.8-119.9162.4000113
1566H34.8Very low35.4Very low155 Ų155128.7 Ų128.772%0.71870%0.695SS**  trans-151.5173.7169.7-112.554.4000109.8
1567I32.3Very low35.4Very low154 Ų154131.3 Ų131.379%0.7970%0.702SS**  trans73134.3-176.1-48.2172.6000112.9
1568H36.4Very low35Very low128 Ų128134.4 Ų134.459%0.59372%0.719SS**  cis-167.3124.5-39.6-113.8-59.1000106.8V1570H1568-V1570 PolarHBondContact O-N 3.44Å
1569T37.7Very low35Very low118 Ų118137.2 Ų137.272%0.72473%0.726SS**  trans8.1106.7132.8-35.70000117.8
1570V35.5Very low34.4Very low118 Ų118135.9 Ų135.972%0.71573%0.728SS**  trans71.4129.9132.5177.50000120.5H1568H1568-V1570 PolarHBondContact O-N 3.44Å
1571D32.9Very low34.3Very low130 Ų130141.8 Ų141.870%0.69576%0.755SS**  trans51.7111.4156.2-79.7-57.8000123.2
1572N34Very low34.1Very low98 Ų98139.8 Ų139.852%0.52475%0.754SS.*  49.8108.9115.5-76.9-45.4000120.6
1573T32.7Very low33.8Very low130 Ų130143 Ų14380%0.79875%0.753SS**  trans88.6151.914072.10000121.1
1574V36.4Very low33.7Very low127 Ų127142.4 Ų142.477%0.7776%0.755SS**  trans75.974166.5-1570000119.2
1575R34.1Very low33.8Very low230 Ų230143.9 Ų143.987%0.86877%0.765SS**  66.4110114.2-143.4176.9-160.61685120
1576S32.7Very low33.9Very low97 Ų97143.5 Ų143.568%0.67876%0.763SS**  trans86.5129.3138.2-75.50000123
1577N36Very low33.9Very low147 Ų147142 Ų14279%0.78677%0.766SS**  trans89.791.2142.3-60.1-1.6000120.9
1578N32.2Very low34Very low148 Ų148139.4 Ų139.479%0.79176%0.759SS**  trans4.4128.6137.4-52.2-5.5000118.9
1579Y35.2Very low34.2Very low242 Ų242140.9 Ų140.995%0.94977%0.772SS**  -153.2135.4128.8-99.5-69.5000110.5
1580S28.2Very low34.1Very low111 Ų111146.5 Ų146.578%0.77678%0.781SS**  trans-98132.8-178.556.10000112.4
1581L32.8Very low34Very low163 Ų163149.4 Ų149.485%0.85379%0.787SS**  trans-141.1116.3163.3-89.1173.8000110.5
1582S28.1Very low33.9Very low105 Ų105152.2 Ų152.273%0.73480%0.796SS**  trans-89.5141.1169.154.20000110.4
1583F31.2Very low34Very low187 Ų187153.7 Ų153.782%0.8281%0.808SS**  trans-144.1101.4166.5-103.8-77.6000112
1584N34.7Very low34Very low156 Ų156155.6 Ų155.683%0.83481%0.813SS**  trans-77.2123.7163-69.5-34.6000109.3
1585S39Very low33.9Very low114 Ų114157.8 Ų157.880%0.79782%0.819SS**  trans-169.5114.7154.1-83.20000111.3
1586I34.7Very low34Very low156 Ų156152.6 Ų152.680%0.881%0.813SS**  trans-98.6139.5176-63.9163.8000109.2P1588I1586-P1588 HydrophobicContact CG2-CB 4.31Å
1587P35.3Very low34Very low122 Ų122152.6 Ų152.679%0.79281%0.813SS**  trans-102.5134.9145.5-13.331.7000111.3
1588P34Very low33.9Very low100 Ų100152.2 Ų152.265%0.64982%0.818SS**  trans-111.1121.9-17036.7-26.5000114I1586I1586-P1588 HydrophobicContact CG2-CB 4.31Å
1589D41.2Very low34.1Very low160 Ų160148.9 Ų148.986%0.85681%0.807SS**  trans-142.72.1172.7-103.9-38.1000115.2
1590Y36.1Very low34.6Very low235 Ų235143.4 Ų143.492%0.92279%0.794SS**  trans-124.480.3176.8-77.3-89.5000110.8
1591Q32.5Very low35.6Very low180 Ų180144.3 Ų144.384%0.84179%0.79SS**  trans-138.255.4-179.8-156.3168.632.200113.2
1592H31.9Very low36.1Very low188 Ų188145.6 Ų145.687%0.8778%0.784SS**  trans-138.5166.5162.7-104.5-100.8000109
1593V35.7Very low36.7Very low129 Ų129146.9 Ų146.978%0.78278%0.782SS**  trans7255.2-176.9-158.80000114.8
1594L33Very low38.1Very low171 Ų171144 Ų14490%0.89577%0.771SS**  trans-139.241.2161.7-90.9-177.4000112.9
1595L33Very low39.3Very low172 Ų172142.9 Ų142.990%0.90176%0.76SS**SBendtrans-146.540.3175.7-83.9-173.3000115.1
1596T36.1Very low40.3Very low121 Ų121142.8 Ų142.874%0.74275%0.75SS**SBendtrans-152.2142.1166.140.60000112.3
1597S34Very low42Very low98 Ų98140 Ų14069%0.68574%0.74SS**  trans35.3105.2152.7-52.20000119.7S1599S1597-S1599 PolarHBondContact O-N 2.86Å
1598P32.7Very low43.9Very low138 Ų138138.9 Ų138.990%0.89672%0.724SS**SBendtrans-78.516.1-175.4-17.833.3000118.8
1599S37.5Very low45.8Very low78 Ų78141.3 Ų141.355%0.54572%0.722SS.*SBendtrans-79.6-46-166.8480000115.4S1597S1597-S1599 PolarHBondContact O-N 2.86Å
1600D45.5Very low47.5Very low128 Ų128137.5 Ų137.568%0.68470%0.699SS**THydrogen-bonded Turntrans-90.3-21.5-152.9-57.2-8.8000114.4R1602D1600-R1602 VanDerWaalsContact C-N 3.27Å; D1600-R1602 PolarHBondContact O-N 3.41Å
1601N47.9Very low49.7Very low129 Ų129132.4 Ų132.469%0.6968%0.679SS**THydrogen-bonded Turntrans-66.8-22.3-174.5-79.613.1000114.4L1603 H1604 E1605N1601-L1603 VanDerWaalsContact C-N 3.26Å; N1601-L1603 PolarHBondContact O-N 2.88Å; N1601-H1604 WeakPolarHBondContact O-CB 3.34Å; N1601-H1604 PolarHBondContact O-N 3.48Å; N1601-E1605 PolarHBondContact O-N 3.09Å
1602R44.3Very low52.2Low191 Ų191125.9 Ų125.972%0.72165%0.649SS**Hα-helixtrans-60.6-32.4-176.8-82.9-174.3165.4-162-5.7113.5D1600 H1604 L1606D1600-R1602 VanDerWaalsContact C-N 3.27Å; D1600-R1602 PolarHBondContact O-N 3.41Å; R1602-H1604 VanDerWaalsContact C-N 3.3Å; R1602-H1604 PolarHBondContact O-N 2.92Å; R1602-L1606 WeakPolarHBondContact O-CB 3.35Å; R1602-L1606 VanDerWaalsContact O-CG 3.31Å; R1602-L1606 WeakPolarHBondContact O-CG 3.4Å; R1602-L1606 PolarHBondContact O-N 3.4Å; R1602-L1606 VanDerWaalsContact O-N 3.1Å
1603L41.1Very low54.5Low132 Ų132121.7 Ų121.769%0.69163%0.629SS**Hα-helixtrans-68.2-31.1175.7-72.6173.1000111.9N1601 V1607N1601-L1603 VanDerWaalsContact C-N 3.26Å; N1601-L1603 PolarHBondContact O-N 2.88Å; L1603-V1607 WeakPolarHBondContact O-CG2 3.4Å; L1603-V1607 PolarHBondContact O-N 3.16Å
1604H60.3Low56.8Low127 Ų127119.5 Ų119.559%0.58861%0.613SS**Hα-helixtrans-74.9-42.9178.3-153.843.5000111.5N1601 R1602 L1606 V1607 E1608N1601-H1604 WeakPolarHBondContact O-CB 3.34Å; N1601-H1604 PolarHBondContact O-N 3.48Å; R1602-H1604 VanDerWaalsContact C-N 3.3Å; R1602-H1604 PolarHBondContact O-N 2.92Å; H1604-L1606 VanDerWaalsContact C-N 3.31Å; H1604-L1606 PolarHBondContact O-N 3.31Å; H1604-V1607 PolarHBondContact O-N 3.15Å; H1604-E1608 PolarHBondContact O-N 3.49Å
1605E58.9Low59.3Low132 Ų132111.9 Ų111.962%0.61757%0.573SS**Hα-helixtrans-60.4-38.3173.4-69.5-178.7135.200112.2N1601 Y1609N1601-E1605 PolarHBondContact O-N 3.09Å; E1605-Y1609 VanDerWaalsContact O-CB 3.23Å; E1605-Y1609 WeakPolarHBondContact O-CB 3.36Å; E1605-Y1609 PolarHBondContact O-N 2.92Å
1606L60.6Low61.7Low112 Ų112107 Ų10759%0.58655%0.548SS*.Hα-helixtrans-64.8-40.1175-76.5167.2000112.7R1602 H1604 Y1609 E1610R1602-L1606 WeakPolarHBondContact O-CB 3.35Å; R1602-L1606 VanDerWaalsContact O-CG 3.31Å; R1602-L1606 WeakPolarHBondContact O-CG 3.4Å; R1602-L1606 PolarHBondContact O-N 3.4Å; R1602-L1606 VanDerWaalsContact O-N 3.1Å; H1604-L1606 VanDerWaalsContact C-N 3.31Å; H1604-L1606 PolarHBondContact O-N 3.31Å; L1606-Y1609 PolarHBondContact O-N 3Å; L1606-E1610 WeakPolarHBondContact O-CB 3.48Å; L1606-E1610 PolarHBondContact O-N 2.97Å
1607V71.6Confident63.9Low98 Ų98106.4 Ų106.459%0.59454%0.535SS*.Hα-helixtrans-70.5-41.4176.9171.10000111.5L1603 H1604 Y1609 Y1611L1603-V1607 WeakPolarHBondContact O-CG2 3.4Å; L1603-V1607 PolarHBondContact O-N 3.16Å; H1604-V1607 PolarHBondContact O-N 3.15Å; V1607-Y1609 VanDerWaalsContact C-N 3.33Å; V1607-Y1611 WeakPolarHBondContact O-CB 3.36Å; V1607-Y1611 PolarHBondContact O-N 3.01Å
1608E73.7Confident66.3Low97 Ų97104.7 Ų104.745%0.45352%0.516SS..Hα-helixtrans-63.3-38.8173-72.3-163.7151.400111.7H1604 L1612H1604-E1608 PolarHBondContact O-N 3.49Å; E1608-L1612 VanDerWaalsContact O-CB 3.28Å; E1608-L1612 WeakPolarHBondContact O-CB 3.4Å; E1608-L1612 PolarHBondContact O-N 3.48Å
1609Y75.3Confident68.9Low151 Ų151100.8 Ų100.859%0.59248%0.484SS*.Hα-helixtrans-66.3-48177.6-176.7-96.3000112.6E1605 L1606 V1607 Y1611 L1612 K1613E1605-Y1609 VanDerWaalsContact O-CB 3.23Å; E1605-Y1609 WeakPolarHBondContact O-CB 3.36Å; E1605-Y1609 PolarHBondContact O-N 2.92Å; L1606-Y1609 PolarHBondContact O-N 3Å; V1607-Y1609 VanDerWaalsContact C-N 3.33Å; Y1609-Y1611 VanDerWaalsContact C-N 3.31Å; Y1609-Y1611 PolarHBondContact O-N 2.58Å; Y1609-L1612 PolarHBondContact O-N 2.9Å; Y1609-K1613 HydrophobicContact CE1-CD 4.47Å; Y1609-K1613 VanDerWaalsContact O-CB 3.23Å; Y1609-K1613 WeakPolarHBondContact O-CB 3.4Å; Y1609-K1613 PolarHBondContact O-N 3.23Å
1610E75.9Confident71Confident80 Ų80104.7 Ų104.737%0.37450%0.496SS..Hα-helixtrans-67.8-33.1179.1-164.463.4-154.900111.1L1606 K1613 N1614L1606-E1610 WeakPolarHBondContact O-CB 3.48Å; L1606-E1610 PolarHBondContact O-N 2.97Å; E1610-K1613 IonicContact OE1-NZ 3.21Å; E1610-K1613 PolarHBondContact OE1-NZ 3.4Å; E1610-K1613 VanDerWaalsContact OE2-CD 3.24Å; E1610-K1613 WeakPolarHBondContact OE2-CD 3.41Å; E1610-K1613 IonicContact OE2-NZ 2.67Å; E1610-K1613 PolarHBondContact OE2-NZ 3.35Å; E1610-N1614 WeakPolarHBondContact O-CB 3.07Å; E1610-N1614 PolarHBondContact O-N 2.88Å; E1610-N1614 VanDerWaalsContact O-N 3.09Å; E1610-N1614 PolarHBondContact O-ND2 3.48Å
1611Y82.2Confident72.6Confident129 Ų129102.8 Ų102.851%0.50648%0.482SS..Hα-helixtrans-64.7-48.5169.8-176.8-109.3000112.2V1607 Y1609 K1613 N1614 V1615 V1631 L1635V1607-Y1611 WeakPolarHBondContact O-CB 3.36Å; V1607-Y1611 PolarHBondContact O-N 3.01Å; Y1609-Y1611 VanDerWaalsContact C-N 3.31Å; Y1609-Y1611 PolarHBondContact O-N 2.58Å; Y1611-K1613 VanDerWaalsContact C-N 3.34Å; Y1611-K1613 PolarHBondContact O-N 3.31Å; Y1611-N1614 PolarHBondContact O-N 2.88Å; Y1611-V1615 HydrophobicContact CD1-CG2 4.33Å; Y1611-V1615 HydrophobicContact CD2-CG2 4.49Å; Y1611-V1615 HydrophobicContact CE1-CG2 3.94Å; Y1611-V1615 HydrophobicContact CE2-CG2 4.11Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.43Å; Y1611-V1615 PolarHBondContact O-N 3.22Å; Y1611-V1631 HydrophobicContact CE1-CG1 4.5Å; Y1611-L1635 HydrophobicContact CD1-CD1 4.01Å; Y1611-L1635 HydrophobicContact CD1-CD2 4.02Å; Y1611-L1635 HydrophobicContact CE1-CD1 3.89Å; Y1611-L1635 HydrophobicContact CE1-CD2 4.03Å; Y1611-L1635 HydrophobicContact CE1-CG 4.46Å
1612L84.9Confident74.1Confident43 Ų4398.9 Ų98.923%0.22547%0.473CS..Hα-helixtrans-61.2-41.4178175.660.8000112.1E1608 Y1609 V1615 L1616 L1632 L1635E1608-L1612 VanDerWaalsContact O-CB 3.28Å; E1608-L1612 WeakPolarHBondContact O-CB 3.4Å; E1608-L1612 PolarHBondContact O-N 3.48Å; Y1609-L1612 PolarHBondContact O-N 2.9Å; L1612-V1615 PolarHBondContact O-N 3.2Å; L1612-L1616 HydrophobicContact CD1-CD1 4.23Å; L1612-L1616 HydrophobicContact CD1-CG 4.24Å; L1612-L1616 HydrophobicContact CG-CD1 4.07Å; L1612-L1616 WeakPolarHBondContact O-CB 3.41Å; L1612-L1616 WeakPolarHBondContact O-CG 3.35Å; L1612-L1616 PolarHBondContact O-N 2.98Å; L1612-L1632 HydrophobicContact CD1-CD2 3.77Å; L1612-L1635 HydrophobicContact CB-CD1 4.43Å; L1612-L1635 HydrophobicContact CD1-CB 4.1Å; L1612-L1635 HydrophobicContact CD1-CD1 3.79Å
1613K81.4Confident75.8Confident99 Ų9996.3 Ų96.343%0.4346%0.463SS..Hα-helixtrans-59.5-45.4174.9175.6-169171.1-155.70111.7Y1609 E1610 Y1611 L1616 F1617Y1609-K1613 HydrophobicContact CE1-CD 4.47Å; Y1609-K1613 VanDerWaalsContact O-CB 3.23Å; Y1609-K1613 WeakPolarHBondContact O-CB 3.4Å; Y1609-K1613 PolarHBondContact O-N 3.23Å; E1610-K1613 IonicContact OE1-NZ 3.21Å; E1610-K1613 PolarHBondContact OE1-NZ 3.4Å; E1610-K1613 VanDerWaalsContact OE2-CD 3.24Å; E1610-K1613 WeakPolarHBondContact OE2-CD 3.41Å; E1610-K1613 IonicContact OE2-NZ 2.67Å; E1610-K1613 PolarHBondContact OE2-NZ 3.35Å; Y1611-K1613 VanDerWaalsContact C-N 3.34Å; Y1611-K1613 PolarHBondContact O-N 3.31Å; K1613-L1616 PolarHBondContact O-N 2.9Å; K1613-F1617 WeakPolarHBondContact O-CB 3.4Å; K1613-F1617 PolarHBondContact O-N 3.46Å
1614N82.6Confident77.9Confident84 Ų8496.6 Ų96.645%0.44946%0.461SS..Hα-helixtrans-65.7-41.9175.4-74.1-46.7000112.2E1610 Y1611 L1616 F1617 E1618E1610-N1614 WeakPolarHBondContact O-CB 3.07Å; E1610-N1614 PolarHBondContact O-N 2.88Å; E1610-N1614 VanDerWaalsContact O-N 3.09Å; E1610-N1614 PolarHBondContact O-ND2 3.48Å; Y1611-N1614 PolarHBondContact O-N 2.88Å; N1614-L1616 PolarHBondContact O-N 3.41Å; N1614-F1617 PolarHBondContact O-N 3.33Å; N1614-E1618 WeakPolarHBondContact O-CG 3.35Å; N1614-E1618 PolarHBondContact O-N 3.34Å
1615V85.3Confident79Confident11 Ų1191.4 Ų91.47%0.06744%0.438CS..Hα-helixtrans-64.6-38175.6172.80000112Y1611 L1612 Y1619 L1628 V1631 L1632 L1635Y1611-V1615 HydrophobicContact CD1-CG2 4.33Å; Y1611-V1615 HydrophobicContact CD2-CG2 4.49Å; Y1611-V1615 HydrophobicContact CE1-CG2 3.94Å; Y1611-V1615 HydrophobicContact CE2-CG2 4.11Å; Y1611-V1615 WeakPolarHBondContact O-CG2 3.43Å; Y1611-V1615 PolarHBondContact O-N 3.22Å; L1612-V1615 PolarHBondContact O-N 3.2Å; V1615-Y1619 WeakPolarHBondContact O-CB 3.34Å; V1615-Y1619 PolarHBondContact O-N 2.62Å; V1615-Y1619 VanDerWaalsContact O-N 3.15Å; V1615-L1628 HydrophobicContact CG1-CD2 4.42Å; V1615-V1631 HydrophobicContact CG1-CB 4.17Å; V1615-V1631 HydrophobicContact CG1-CG1 3.88Å; V1615-V1631 HydrophobicContact CG2-CG1 4.2Å; V1615-L1632 HydrophobicContact CB-CD2 4.46Å; V1615-L1632 HydrophobicContact CG1-CD2 3.69Å; V1615-L1632 HydrophobicContact CG1-CG 3.83Å; V1615-L1635 HydrophobicContact CB-CD1 4.35Å; V1615-L1635 HydrophobicContact CG1-CD1 4.29Å; V1615-L1635 HydrophobicContact CG2-CD1 4.32Å
1616L83.5Confident80.3Confident70 Ų7089.2 Ų89.237%0.36643%0.428SS..Hα-helixtrans-65.7-43.7173.3-79.7168.6000111.8L1612 K1613 N1614 Y1619 M1620 L1632L1612-L1616 HydrophobicContact CD1-CD1 4.23Å; L1612-L1616 HydrophobicContact CD1-CG 4.24Å; L1612-L1616 HydrophobicContact CG-CD1 4.07Å; L1612-L1616 WeakPolarHBondContact O-CB 3.41Å; L1612-L1616 WeakPolarHBondContact O-CG 3.35Å; L1612-L1616 PolarHBondContact O-N 2.98Å; K1613-L1616 PolarHBondContact O-N 2.9Å; N1614-L1616 PolarHBondContact O-N 3.41Å; L1616-Y1619 PolarHBondContact O-N 2.98Å; L1616-M1620 WeakPolarHBondContact O-CB 3.34Å; L1616-M1620 WeakPolarHBondContact O-CG 3.44Å; L1616-M1620 PolarHBondContact O-N 3.46Å; L1616-L1632 HydrophobicContact CD2-CD1 4.09Å; L1616-L1632 HydrophobicContact CD2-CD2 3.56Å; L1616-L1632 HydrophobicContact CG-CD2 3.73Å
1617F82Confident81.6Confident107 Ų10786.7 Ų86.747%0.46942%0.417SS..Hα-helixtrans-61.7-47.8179.7-178.4-107.9000112.1K1613 N1614 Y1619 M1620 Q1621K1613-F1617 WeakPolarHBondContact O-CB 3.4Å; K1613-F1617 PolarHBondContact O-N 3.46Å; N1614-F1617 PolarHBondContact O-N 3.33Å; F1617-Y1619 VanDerWaalsContact C-N 3.33Å; F1617-Y1619 PolarHBondContact O-N 2.84Å; F1617-M1620 PolarHBondContact O-N 3.42Å; F1617-Q1621 PolarHBondContact O-N 2.83Å
1618E85.6Confident82.5Confident63 Ų6383.3 Ų83.329%0.29440%0.396SS..Hα-helixtrans-64-36.7176.2-69.8-66.4149.200112.2N1614 Q1621 G1622 R1623 L1628N1614-E1618 WeakPolarHBondContact O-CG 3.35Å; N1614-E1618 PolarHBondContact O-N 3.34Å; E1618-Q1621 PolarHBondContact O-N 3.17Å; E1618-G1622 PolarHBondContact O-N 3.46Å; E1618-R1623 PolarHBondContact O-N 2.96Å; E1618-R1623 WeakPolarHBondContact OE2-CD 3.5Å; E1618-R1623 IonicContact OE2-CZ 2.69Å; E1618-R1623 IonicContact OE2-NE 2.69Å; E1618-R1623 PolarHBondContact OE2-NE 2.93Å; E1618-L1628 HydrophobicContact CB-CD1 3.43Å; E1618-L1628 VanDerWaalsContact CB-CD1 3.43Å
1619Y87.9Confident83.3Confident56 Ų5678.8 Ų78.822%0.2238%0.375CS..Hα-helixtrans-66.5-38.9173.7179.3-102.4000112.3V1615 L1616 F1617 G1622 T1625 L1628 L1632 E1650V1615-Y1619 WeakPolarHBondContact O-CB 3.34Å; V1615-Y1619 PolarHBondContact O-N 2.62Å; V1615-Y1619 VanDerWaalsContact O-N 3.15Å; L1616-Y1619 PolarHBondContact O-N 2.98Å; F1617-Y1619 VanDerWaalsContact C-N 3.33Å; F1617-Y1619 PolarHBondContact O-N 2.84Å; Y1619-G1622 PolarHBondContact O-N 2.93Å; Y1619-G1622 VanDerWaalsContact O-N 3.1Å; Y1619-T1625 HydrophobicContact CD2-CG2 4.27Å; Y1619-T1625 HydrophobicContact CE2-CG2 4.36Å; Y1619-L1628 HydrophobicContact CD2-CB 4.04Å; Y1619-L1632 HydrophobicContact CD1-CD1 3.73Å; Y1619-L1632 HydrophobicContact CD2-CD1 4.05Å; Y1619-L1632 HydrophobicContact CE1-CD1 4.26Å; Y1619-L1632 HydrophobicContact CG-CD1 3.6Å; Y1619-E1650 PolarHBondContact OH-OE2 2.85Å
1620M81.1Confident83.9Confident160 Ų16075.6 Ų75.679%0.78836%0.364SS*.Hα-helixtrans-69.7-32175.1-74.1178.565.100112.7L1616 F1617 G1622L1616-M1620 WeakPolarHBondContact O-CB 3.34Å; L1616-M1620 WeakPolarHBondContact O-CG 3.44Å; L1616-M1620 PolarHBondContact O-N 3.46Å; F1617-M1620 PolarHBondContact O-N 3.42Å; M1620-G1622 PolarHBondContact O-N 2.89Å
1621Q79Confident84.4Confident87 Ų8773.7 Ų73.741%0.40736%0.358SS..THydrogen-bonded Turntrans-71.8-1.7168.6-71.9-158.818.600113.9F1617 E1618 R1623F1617-Q1621 PolarHBondContact O-N 2.83Å; E1618-Q1621 PolarHBondContact O-N 3.17Å; Q1621-R1623 VanDerWaalsContact C-N 3.28Å; Q1621-R1623 HydrophobicContact CB-CG 4.08Å; Q1621-R1623 PolarHBondContact O-N 3.15Å; Q1621-R1623 VanDerWaalsContact OE1-CZ 3.31Å; Q1621-R1623 VanDerWaalsContact OE1-NE 3.1Å
1622G79.9Confident84.7Confident48 Ų4868.3 Ų68.350%0.49534%0.338SS..THydrogen-bonded Turntrans75.910.8179.800000114.6E1618 Y1619 M1620 T1625E1618-G1622 PolarHBondContact O-N 3.46Å; Y1619-G1622 PolarHBondContact O-N 2.93Å; Y1619-G1622 VanDerWaalsContact O-N 3.1Å; M1620-G1622 PolarHBondContact O-N 2.89Å; G1622-T1625 WeakPolarHBondContact O-CG2 3.49Å
1623R79.4Confident84.8Confident136 Ų13666.4 Ų66.451%0.51333%0.328SS..THydrogen-bonded Turntrans-79.1132.8179.1-48.5-152.9-158.1177-1.6109.7E1618 Q1621 T1625 L1628E1618-R1623 PolarHBondContact O-N 2.96Å; E1618-R1623 WeakPolarHBondContact OE2-CD 3.5Å; E1618-R1623 IonicContact OE2-CZ 2.69Å; E1618-R1623 IonicContact OE2-NE 2.69Å; E1618-R1623 PolarHBondContact OE2-NE 2.93Å; Q1621-R1623 VanDerWaalsContact C-N 3.28Å; Q1621-R1623 HydrophobicContact CB-CG 4.08Å; Q1621-R1623 PolarHBondContact O-N 3.15Å; Q1621-R1623 VanDerWaalsContact OE1-CZ 3.31Å; Q1621-R1623 VanDerWaalsContact OE1-NE 3.1Å; R1623-T1625 PolarHBondContact O-N 3.47Å; R1623-L1628 WeakPolarHBondContact O-CD1 3.48Å
1624E84Confident85Confident139 Ų13965.9 Ų65.965%0.6534%0.337SS*.THydrogen-bonded Turntrans37.444.9-178.9-63-160.3-161.700115.2Q1626 T1627 L1628E1624-Q1626 PolarHBondContact O-N 2.84Å; E1624-T1627 CarbonylContact O-C 3.59Å; E1624-T1627 WeakPolarHBondContact O-CA 3.42Å; E1624-T1627 WeakPolarHBondContact O-CB 3.43Å; E1624-T1627 PolarHBondContact O-N 2.79Å; E1624-T1627 VanDerWaalsContact OE2-CB 3.32Å; E1624-T1627 WeakPolarHBondContact OE2-CB 3.36Å; E1624-T1627 PolarHBondContact OE2-OG1 3.39Å; E1624-L1628 HydrophobicContact CB-CG 4.43Å; E1624-L1628 PolarHBondContact O-N 3.44Å
1625T84.5Confident85Confident18 Ų1864.6 Ų64.611%0.1133%0.33CS..Hα-helixtrans-57.3-34-167.4640000113.6Y1619 G1622 R1623 T1627 S1629 E1650Y1619-T1625 HydrophobicContact CD2-CG2 4.27Å; Y1619-T1625 HydrophobicContact CE2-CG2 4.36Å; G1622-T1625 WeakPolarHBondContact O-CG2 3.49Å; R1623-T1625 PolarHBondContact O-N 3.47Å; T1625-T1627 VanDerWaalsContact C-N 3.32Å; T1625-T1627 PolarHBondContact O-N 3.29Å; T1625-S1629 WeakPolarHBondContact O-CB 3.38Å; T1625-S1629 PolarHBondContact O-N 3.37Å; T1625-S1629 PolarHBondContact O-OG 3.33Å; T1625-E1650 WeakPolarHBondContact CB-OE1 3.37Å; T1625-E1650 WeakPolarHBondContact OG1-CG 3.49Å; T1625-E1650 PolarHBondContact OG1-OE1 3.31Å
1626Q86.3Confident84.8Confident86 Ų8668.5 Ų68.540%0.40235%0.348SS..Hα-helixtrans-73.5-18.3175.8-149.5-142.156.100113.6E1624 S1629 K1630 D1651E1624-Q1626 PolarHBondContact O-N 2.84Å; Q1626-S1629 WeakPolarHBondContact CA-OG 3.49Å; Q1626-S1629 PolarHBondContact O-OG 3.48Å; Q1626-K1630 VanDerWaalsContact O-CD 3.31Å; Q1626-K1630 WeakPolarHBondContact O-CD 3.46Å; Q1626-K1630 WeakPolarHBondContact O-CE 3.4Å; Q1626-K1630 WeakPolarHBondContact O-CG 3.34Å; Q1626-K1630 PolarHBondContact O-NZ 3.21Å; Q1626-D1651 PolarHBondContact NE2-OD1 3.32Å
1627T88Confident84.9Confident59 Ų5975 Ų7536%0.36237%0.368SS..Hα-helixtrans-84.5-53.4167.8-53.20000109.6E1624 T1625 S1629 K1630 V1631E1624-T1627 CarbonylContact O-C 3.59Å; E1624-T1627 WeakPolarHBondContact O-CA 3.42Å; E1624-T1627 WeakPolarHBondContact O-CB 3.43Å; E1624-T1627 PolarHBondContact O-N 2.79Å; E1624-T1627 VanDerWaalsContact OE2-CB 3.32Å; E1624-T1627 WeakPolarHBondContact OE2-CB 3.36Å; E1624-T1627 PolarHBondContact OE2-OG1 3.39Å; T1625-T1627 VanDerWaalsContact C-N 3.32Å; T1625-T1627 PolarHBondContact O-N 3.29Å; T1627-S1629 VanDerWaalsContact C-N 3.33Å; T1627-S1629 PolarHBondContact O-N 3.3Å; T1627-K1630 WeakPolarHBondContact O-CA 3.38Å; T1627-K1630 VanDerWaalsContact O-CB 3.29Å; T1627-K1630 WeakPolarHBondContact O-CB 3.43Å; T1627-K1630 PolarHBondContact O-N 2.86Å; T1627-V1631 PolarHBondContact O-N 3.48Å; T1627-V1631 VanDerWaalsContact O-N 3.15Å
1628L90.1Very high85.1Confident27 Ų2772.5 Ų72.514%0.14136%0.357CS..Hα-helixtrans-66.4-32.7-174.3-60.7-174.8000112.4V1615 E1618 Y1619 R1623 E1624 K1630 V1631 L1632V1615-L1628 HydrophobicContact CG1-CD2 4.42Å; E1618-L1628 HydrophobicContact CB-CD1 3.43Å; E1618-L1628 VanDerWaalsContact CB-CD1 3.43Å; Y1619-L1628 HydrophobicContact CD2-CB 4.04Å; R1623-L1628 WeakPolarHBondContact O-CD1 3.48Å; E1624-L1628 HydrophobicContact CB-CG 4.43Å; E1624-L1628 PolarHBondContact O-N 3.44Å; L1628-K1630 VanDerWaalsContact C-N 3.27Å; L1628-K1630 PolarHBondContact O-N 3.44Å; L1628-V1631 CarbonylContact O-C 3.43Å; L1628-V1631 PolarHBondContact O-N 2.96Å; L1628-V1631 VanDerWaalsContact O-N 3.12Å; L1628-L1632 WeakPolarHBondContact O-CB 3.36Å; L1628-L1632 VanDerWaalsContact O-CG 3.29Å; L1628-L1632 WeakPolarHBondContact O-CG 3.48Å; L1628-L1632 PolarHBondContact O-N 3.31Å
1629S89.4Confident85.2Confident1 Ų173.6 Ų73.61%0.00736%0.364CS..Hα-helixtrans-59.1-34.3169.352.20000113.2T1625 Q1626 T1627 C1633 L1647T1625-S1629 WeakPolarHBondContact O-CB 3.38Å; T1625-S1629 PolarHBondContact O-N 3.37Å; T1625-S1629 PolarHBondContact O-OG 3.33Å; Q1626-S1629 WeakPolarHBondContact CA-OG 3.49Å; Q1626-S1629 PolarHBondContact O-OG 3.48Å; T1627-S1629 VanDerWaalsContact C-N 3.33Å; T1627-S1629 PolarHBondContact O-N 3.3Å; S1629-C1633 WeakPolarHBondContact O-CB 3.25Å; S1629-C1633 PolarHBondContact O-N 3.35Å; S1629-C1633 PolarHBondContact O-SG 3.26Å; S1629-L1647 WeakPolarHBondContact OG-CD2 3.46Å
1630K88.5Confident85Confident85 Ų8574.3 Ų74.337%0.3738%0.382SS..Hα-helixtrans-70-40.4173.8-58.7168.8-175.3124.50110.8Q1626 T1627 L1628 S1634 L1647Q1626-K1630 VanDerWaalsContact O-CD 3.31Å; Q1626-K1630 WeakPolarHBondContact O-CD 3.46Å; Q1626-K1630 WeakPolarHBondContact O-CE 3.4Å; Q1626-K1630 WeakPolarHBondContact O-CG 3.34Å; Q1626-K1630 PolarHBondContact O-NZ 3.21Å; T1627-K1630 WeakPolarHBondContact O-CA 3.38Å; T1627-K1630 VanDerWaalsContact O-CB 3.29Å; T1627-K1630 WeakPolarHBondContact O-CB 3.43Å; T1627-K1630 PolarHBondContact O-N 2.86Å; L1628-K1630 VanDerWaalsContact C-N 3.27Å; L1628-K1630 PolarHBondContact O-N 3.44Å; K1630-S1634 WeakPolarHBondContact O-CB 3.43Å; K1630-S1634 PolarHBondContact O-N 2.9Å; K1630-S1634 PolarHBondContact O-OG 2.89Å; K1630-L1647 HydrophobicContact CD-CD2 4.5Å; K1630-L1647 HydrophobicContact CG-CD1 4.11Å; K1630-L1647 HydrophobicContact CG-CD2 3.5Å; K1630-L1647 VanDerWaalsContact CG-CD2 3.5Å; K1630-L1647 HydrophobicContact CG-CG 4.45Å
1631V87.4Confident85.1Confident39 Ų3971 Ų7124%0.23637%0.368CS..Hα-helixtrans-64.9-47.3175.7-176.80000110.5Y1611 V1615 T1627 L1628 S1634 L1635Y1611-V1631 HydrophobicContact CE1-CG1 4.5Å; V1615-V1631 HydrophobicContact CG1-CB 4.17Å; V1615-V1631 HydrophobicContact CG1-CG1 3.88Å; V1615-V1631 HydrophobicContact CG2-CG1 4.2Å; T1627-V1631 PolarHBondContact O-N 3.48Å; T1627-V1631 VanDerWaalsContact O-N 3.15Å; L1628-V1631 CarbonylContact O-C 3.43Å; L1628-V1631 PolarHBondContact O-N 2.96Å; L1628-V1631 VanDerWaalsContact O-N 3.12Å; V1631-S1634 CarbonylContact O-C 3.18Å; V1631-S1634 WeakPolarHBondContact O-CA 3.34Å; V1631-S1634 WeakPolarHBondContact O-CB 3.37Å; V1631-S1634 PolarHBondContact O-N 3.41Å; V1631-L1635 HydrophobicContact CG1-CD1 3.88Å; V1631-L1635 HydrophobicContact CG1-CG 4.23Å; V1631-L1635 WeakPolarHBondContact O-CG 3.49Å; V1631-L1635 PolarHBondContact O-N 3.22Å
1632L87.1Confident85.3Confident17 Ų1770.4 Ų70.49%0.08937%0.365CS..Hα-helixtrans-59.8-46.1175.2-71.4171.8000112.3L1612 V1615 L1616 Y1619 L1628 S1634 L1635 M1636L1612-L1632 HydrophobicContact CD1-CD2 3.77Å; V1615-L1632 HydrophobicContact CB-CD2 4.46Å; V1615-L1632 HydrophobicContact CG1-CD2 3.69Å; V1615-L1632 HydrophobicContact CG1-CG 3.83Å; L1616-L1632 HydrophobicContact CD2-CD1 4.09Å; L1616-L1632 HydrophobicContact CD2-CD2 3.56Å; L1616-L1632 HydrophobicContact CG-CD2 3.73Å; Y1619-L1632 HydrophobicContact CD1-CD1 3.73Å; Y1619-L1632 HydrophobicContact CD2-CD1 4.05Å; Y1619-L1632 HydrophobicContact CE1-CD1 4.26Å; Y1619-L1632 HydrophobicContact CG-CD1 3.6Å; L1628-L1632 WeakPolarHBondContact O-CB 3.36Å; L1628-L1632 VanDerWaalsContact O-CG 3.29Å; L1628-L1632 WeakPolarHBondContact O-CG 3.48Å; L1628-L1632 PolarHBondContact O-N 3.31Å; L1632-S1634 PolarHBondContact O-N 3.46Å; L1632-L1635 PolarHBondContact O-N 2.91Å; L1632-M1636 WeakPolarHBondContact O-CB 3.38Å; L1632-M1636 WeakPolarHBondContact O-CG 3.31Å; L1632-M1636 PolarHBondContact O-N 2.89Å
1633C88.6Confident85.6Confident3 Ų369.8 Ų69.82%0.0235%0.352CS..Hα-helixtrans-59.5-33.5173.9-70.40000112S1629 R1637 F1638 T1643S1629-C1633 WeakPolarHBondContact O-CB 3.25Å; S1629-C1633 PolarHBondContact O-N 3.35Å; S1629-C1633 PolarHBondContact O-SG 3.26Å; C1633-R1637 PolarHBondContact O-N 3.46Å; C1633-F1638 HydrophobicContact CB-CB 4.14Å; C1633-F1638 HydrophobicContact CB-CD2 4.26Å; C1633-F1638 PolarHBondContact O-N 3.31Å; C1633-T1643 HydrophobicContact CB-CG2 3.89Å
1634S85.3Confident85.9Confident88 Ų8869.8 Ų69.862%0.61535%0.352SS*.Hα-helixtrans-75.4-47.2178.2-54.50000112K1630 V1631 L1632 R1637K1630-S1634 WeakPolarHBondContact O-CB 3.43Å; K1630-S1634 PolarHBondContact O-N 2.9Å; K1630-S1634 PolarHBondContact O-OG 2.89Å; V1631-S1634 CarbonylContact O-C 3.18Å; V1631-S1634 WeakPolarHBondContact O-CA 3.34Å; V1631-S1634 WeakPolarHBondContact O-CB 3.37Å; V1631-S1634 PolarHBondContact O-N 3.41Å; L1632-S1634 PolarHBondContact O-N 3.46Å; S1634-R1637 PolarHBondContact O-N 3.1Å; S1634-R1637 VanDerWaalsContact O-N 3.14Å
1635L81.8Confident86.1Confident57 Ų5770.6 Ų70.630%0.29835%0.353SS..Hα-helixtrans-62.7-47.4177.6-72.1172.3000111.7Y1611 L1612 V1615 V1631 L1632 R1637Y1611-L1635 HydrophobicContact CD1-CD1 4.01Å; Y1611-L1635 HydrophobicContact CD1-CD2 4.02Å; Y1611-L1635 HydrophobicContact CE1-CD1 3.89Å; Y1611-L1635 HydrophobicContact CE1-CD2 4.03Å; Y1611-L1635 HydrophobicContact CE1-CG 4.46Å; L1612-L1635 HydrophobicContact CB-CD1 4.43Å; L1612-L1635 HydrophobicContact CD1-CB 4.1Å; L1612-L1635 HydrophobicContact CD1-CD1 3.79Å; V1615-L1635 HydrophobicContact CB-CD1 4.35Å; V1615-L1635 HydrophobicContact CG1-CD1 4.29Å; V1615-L1635 HydrophobicContact CG2-CD1 4.32Å; V1631-L1635 HydrophobicContact CG1-CD1 3.88Å; V1631-L1635 HydrophobicContact CG1-CG 4.23Å; V1631-L1635 WeakPolarHBondContact O-CG 3.49Å; V1631-L1635 PolarHBondContact O-N 3.22Å; L1632-L1635 PolarHBondContact O-N 2.91Å; L1635-R1637 PolarHBondContact O-N 3.43Å
1636M82.3Confident86.1Confident92 Ų9271.7 Ų71.745%0.45336%0.359SS..THydrogen-bonded Turntrans-77.64.4175.8-59.7-151.276.100113.6L1632 F1638L1632-M1636 WeakPolarHBondContact O-CB 3.38Å; L1632-M1636 WeakPolarHBondContact O-CG 3.31Å; L1632-M1636 PolarHBondContact O-N 2.89Å; M1636-F1638 HydrophobicContact CB-CD1 3.68Å; M1636-F1638 HydrophobicContact CB-CE1 3.51Å; M1636-F1638 HydrophobicContact CB-CZ 4.24Å; M1636-F1638 HydrophobicContact CG-CE1 4.38Å; M1636-F1638 PolarHBondContact O-N 2.97Å; M1636-F1638 VanDerWaalsContact O-N 3.15Å; M1636-F1638 HydrophobicContact SD-CE1 4.12Å; M1636-F1638 HydrophobicContact SD-CZ 4.19Å
1637R84.6Confident86.3Confident207 Ų20769.5 Ų69.578%0.78135%0.35SS*.THydrogen-bonded Turntrans52.336.6176.3-52.8-178.4-173.8178.72.9113.3C1633 S1634 L1635 N1639C1633-R1637 PolarHBondContact O-N 3.46Å; S1634-R1637 PolarHBondContact O-N 3.1Å; S1634-R1637 VanDerWaalsContact O-N 3.14Å; L1635-R1637 PolarHBondContact O-N 3.43Å; R1637-N1639 PolarHBondContact O-N 3.24Å
1638F87.3Confident86.2Confident55 Ų5570 Ų7024%0.24135%0.353CS..  trans-60134.8178.1-78.88.1000110.5C1633 M1636 Q1642 T1643 V1646C1633-F1638 HydrophobicContact CB-CB 4.14Å; C1633-F1638 HydrophobicContact CB-CD2 4.26Å; C1633-F1638 PolarHBondContact O-N 3.31Å; M1636-F1638 HydrophobicContact CB-CD1 3.68Å; M1636-F1638 HydrophobicContact CB-CE1 3.51Å; M1636-F1638 HydrophobicContact CB-CZ 4.24Å; M1636-F1638 HydrophobicContact CG-CE1 4.38Å; M1636-F1638 PolarHBondContact O-N 2.97Å; M1636-F1638 VanDerWaalsContact O-N 3.15Å; M1636-F1638 HydrophobicContact SD-CE1 4.12Å; M1636-F1638 HydrophobicContact SD-CZ 4.19Å; F1638-Q1642 HydrophobicContact CB-CB 3.86Å; F1638-Q1642 HydrophobicContact CD2-CB 4.17Å; F1638-Q1642 HydrophobicContact CG-CB 4.12Å; F1638-T1643 PolarHBondContact O-OG1 2.83Å; F1638-V1646 HydrophobicContact CD2-CG2 4.11Å; F1638-V1646 HydrophobicContact CE2-CG2 3.96Å
1639N85.9Confident86.1Confident85 Ų8575.8 Ų75.846%0.45537%0.374SS..  trans-65.1166.1177.57346.2000111.4R1637 D1641 Q1642 T1643R1637-N1639 PolarHBondContact O-N 3.24Å; N1639-D1641 PolarHBondContact O-N 3.42Å; N1639-D1641 VanDerWaalsContact O-N 3.09Å; N1639-D1641 WeakPolarHBondContact OD1-CB 3.49Å; N1639-D1641 PolarHBondContact OD1-N 3.36Å; N1639-Q1642 VanDerWaalsContact CG-OE1 3.22Å; N1639-Q1642 PolarHBondContact ND2-OE1 2.9Å; N1639-Q1642 VanDerWaalsContact ND2-OE1 3.09Å; N1639-Q1642 PolarHBondContact O-N 3.31Å; N1639-Q1642 VanDerWaalsContact O-N 3.17Å; N1639-Q1642 PolarHBondContact OD1-N 3.15Å; N1639-T1643 WeakPolarHBondContact O-CB 3.4Å; N1639-T1643 PolarHBondContact O-N 2.88Å; N1639-T1643 PolarHBondContact O-OG1 3.47Å; N1639-T1643 VanDerWaalsContact O-OG1 3.06Å
1640A84Confident86.1Confident72 Ų7275.9 Ų75.960%0.59538%0.375SS*.Hα-helixtrans-61.3-22.6-173.900000114.2R1644A1640-R1644 VanDerWaalsContact O-CB 3.32Å; A1640-R1644 WeakPolarHBondContact O-CB 3.29Å; A1640-R1644 PolarHBondContact O-N 3.45Å; A1640-R1644 PolarHBondContact O-NH2 3.43Å; A1640-R1644 VanDerWaalsContact O-NH2 3.11Å
1641D82.9Confident85.9Confident90 Ų9074.5 Ų74.548%0.48137%0.371SS..Hα-helixtrans-85.5-40176.3-73.6-8.3000112.1N1639 R1644 K1645N1639-D1641 PolarHBondContact O-N 3.42Å; N1639-D1641 VanDerWaalsContact O-N 3.09Å; N1639-D1641 WeakPolarHBondContact OD1-CB 3.49Å; N1639-D1641 PolarHBondContact OD1-N 3.36Å; D1641-R1644 PolarHBondContact O-N 2.87Å; D1641-R1644 IonicContact OD1-CZ 2.66Å; D1641-R1644 IonicContact OD1-NH1 2.65Å; D1641-R1644 PolarHBondContact OD1-NH1 3.04Å; D1641-R1644 IonicContact OD1-NH2 3.19Å; D1641-R1644 PolarHBondContact OD1-NH2 2.94Å; D1641-K1645 WeakPolarHBondContact O-CG 3.27Å; D1641-K1645 PolarHBondContact O-N 2.92Å
1642Q84.9Confident85.7Confident75 Ų7578 Ų7835%0.3539%0.385SS..Hα-helixtrans-59.9-50.9170.4-74169.6-48.400110.5F1638 N1639 R1644 K1645 V1646F1638-Q1642 HydrophobicContact CB-CB 3.86Å; F1638-Q1642 HydrophobicContact CD2-CB 4.17Å; F1638-Q1642 HydrophobicContact CG-CB 4.12Å; N1639-Q1642 VanDerWaalsContact CG-OE1 3.22Å; N1639-Q1642 PolarHBondContact ND2-OE1 2.9Å; N1639-Q1642 VanDerWaalsContact ND2-OE1 3.09Å; N1639-Q1642 PolarHBondContact O-N 3.31Å; N1639-Q1642 VanDerWaalsContact O-N 3.17Å; N1639-Q1642 PolarHBondContact OD1-N 3.15Å; Q1642-R1644 VanDerWaalsContact C-N 3.3Å; Q1642-R1644 PolarHBondContact O-N 3.41Å; Q1642-K1645 WeakPolarHBondContact O-CB 3.24Å; Q1642-K1645 PolarHBondContact O-N 3.21Å; Q1642-K1645 VanDerWaalsContact O-N 3.11Å; Q1642-V1646 WeakPolarHBondContact O-CG2 3.31Å; Q1642-V1646 PolarHBondContact O-N 3.11Å
1643T85.5Confident85.5Confident35 Ų3581.4 Ų81.422%0.21540%0.399CS..Hα-helixtrans-55.2-45.6176.1-60.40000111C1633 F1638 N1639 K1645 V1646 L1647C1633-T1643 HydrophobicContact CB-CG2 3.89Å; F1638-T1643 PolarHBondContact O-OG1 2.83Å; N1639-T1643 WeakPolarHBondContact O-CB 3.4Å; N1639-T1643 PolarHBondContact O-N 2.88Å; N1639-T1643 PolarHBondContact O-OG1 3.47Å; N1639-T1643 VanDerWaalsContact O-OG1 3.06Å; T1643-K1645 PolarHBondContact O-N 2.79Å; T1643-V1646 PolarHBondContact O-N 2.83Å; T1643-L1647 HydrophobicContact CG2-CD1 3.88Å; T1643-L1647 HydrophobicContact CG2-CG 4.41Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 VanDerWaalsContact O-CG 3.26Å; T1643-L1647 WeakPolarHBondContact O-CG 3.26Å; T1643-L1647 PolarHBondContact O-N 3.49Å
1644R86.4Confident84.9Confident135 Ų13583.4 Ų83.451%0.50941%0.413SS..Hα-helixtrans-64.4-40.4177.4-162.7-174.6-44.1106.917.8112.6A1640 D1641 Q1642 T1648A1640-R1644 VanDerWaalsContact O-CB 3.32Å; A1640-R1644 WeakPolarHBondContact O-CB 3.29Å; A1640-R1644 PolarHBondContact O-N 3.45Å; A1640-R1644 PolarHBondContact O-NH2 3.43Å; A1640-R1644 VanDerWaalsContact O-NH2 3.11Å; D1641-R1644 PolarHBondContact O-N 2.87Å; D1641-R1644 IonicContact OD1-CZ 2.66Å; D1641-R1644 IonicContact OD1-NH1 2.65Å; D1641-R1644 PolarHBondContact OD1-NH1 3.04Å; D1641-R1644 IonicContact OD1-NH2 3.19Å; D1641-R1644 PolarHBondContact OD1-NH2 2.94Å; Q1642-R1644 VanDerWaalsContact C-N 3.3Å; Q1642-R1644 PolarHBondContact O-N 3.41Å; R1644-T1648 VanDerWaalsContact O-CB 3.32Å; R1644-T1648 WeakPolarHBondContact O-CB 3.45Å; R1644-T1648 PolarHBondContact O-N 2.87Å; R1644-T1648 PolarHBondContact O-OG1 3.42Å
1645K87.6Confident84.5Confident157 Ų15784.4 Ų84.468%0.68341%0.406SS*.Hα-helixtrans-61.5-49.9175.7-76.6175.9178.3-176.80111.6D1641 Q1642 T1643 L1647 T1648 Y1649D1641-K1645 WeakPolarHBondContact O-CG 3.27Å; D1641-K1645 PolarHBondContact O-N 2.92Å; Q1642-K1645 WeakPolarHBondContact O-CB 3.24Å; Q1642-K1645 PolarHBondContact O-N 3.21Å; Q1642-K1645 VanDerWaalsContact O-N 3.11Å; T1643-K1645 PolarHBondContact O-N 2.79Å; K1645-L1647 PolarHBondContact O-N 3.02Å; K1645-T1648 PolarHBondContact O-N 2.93Å; K1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; K1645-Y1649 PolarHBondContact O-N 3.2Å
1646V85.2Confident84Confident40 Ų4086.1 Ų86.124%0.24242%0.42CS..Hα-helixtrans-59.1-49178.7173.80000110.9F1638 Q1642 T1643 T1648 Y1649 E1650F1638-V1646 HydrophobicContact CD2-CG2 4.11Å; F1638-V1646 HydrophobicContact CE2-CG2 3.96Å; Q1642-V1646 WeakPolarHBondContact O-CG2 3.31Å; Q1642-V1646 PolarHBondContact O-N 3.11Å; T1643-V1646 PolarHBondContact O-N 2.83Å; V1646-T1648 VanDerWaalsContact C-N 3.34Å; V1646-T1648 PolarHBondContact O-N 3.43Å; V1646-Y1649 PolarHBondContact O-N 2.75Å; V1646-E1650 PolarHBondContact O-N 3.32Å
1647L88.6Confident83.2Confident41 Ų4190.4 Ų90.422%0.21543%0.431CS..Hα-helixtrans-65-36.7179.1-64.6176000112.4S1629 K1630 T1643 K1645 D1651S1629-L1647 WeakPolarHBondContact OG-CD2 3.46Å; K1630-L1647 HydrophobicContact CD-CD2 4.5Å; K1630-L1647 HydrophobicContact CG-CD1 4.11Å; K1630-L1647 HydrophobicContact CG-CD2 3.5Å; K1630-L1647 VanDerWaalsContact CG-CD2 3.5Å; K1630-L1647 HydrophobicContact CG-CG 4.45Å; T1643-L1647 HydrophobicContact CG2-CD1 3.88Å; T1643-L1647 HydrophobicContact CG2-CG 4.41Å; T1643-L1647 WeakPolarHBondContact O-CB 3.46Å; T1643-L1647 VanDerWaalsContact O-CG 3.26Å; T1643-L1647 WeakPolarHBondContact O-CG 3.26Å; T1643-L1647 PolarHBondContact O-N 3.49Å; K1645-L1647 PolarHBondContact O-N 3.02Å; L1647-D1651 WeakPolarHBondContact O-CB 3.46Å; L1647-D1651 PolarHBondContact O-N 3.43Å
1648T87Confident82.4Confident69 Ų6984.7 Ų84.742%0.42342%0.419SS..Hα-helixtrans-68.8-36.9175.9-51.80000111.7R1644 K1645 V1646 Q1652R1644-T1648 VanDerWaalsContact O-CB 3.32Å; R1644-T1648 WeakPolarHBondContact O-CB 3.45Å; R1644-T1648 PolarHBondContact O-N 2.87Å; R1644-T1648 PolarHBondContact O-OG1 3.42Å; K1645-T1648 PolarHBondContact O-N 2.93Å; V1646-T1648 VanDerWaalsContact C-N 3.34Å; V1646-T1648 PolarHBondContact O-N 3.43Å; T1648-Q1652 WeakPolarHBondContact O-CB 3.28Å; T1648-Q1652 VanDerWaalsContact O-CG 3.31Å; T1648-Q1652 WeakPolarHBondContact O-CG 3.36Å; T1648-Q1652 PolarHBondContact O-N 2.9Å
1649Y88.4Confident81.2Confident148 Ų14886.9 Ų86.958%0.5843%0.432SS*.Hα-helixtrans-66.4-45.8175177.9-100.2000111.4K1645 V1646 D1651 Q1652 K1653K1645-Y1649 WeakPolarHBondContact O-CB 3.38Å; K1645-Y1649 PolarHBondContact O-N 3.2Å; V1646-Y1649 PolarHBondContact O-N 2.75Å; Y1649-D1651 VanDerWaalsContact C-N 3.33Å; Y1649-D1651 PolarHBondContact O-N 3.15Å; Y1649-Q1652 CarbonylContact O-C 3.56Å; Y1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; Y1649-Q1652 PolarHBondContact O-N 3.07Å; Y1649-Q1652 VanDerWaalsContact O-N 3.07Å; Y1649-K1653 HydrophobicContact CE1-CD 4.12Å; Y1649-K1653 WeakPolarHBondContact O-CB 3.47Å; Y1649-K1653 PolarHBondContact O-N 3.49Å
1650E88Confident79.8Confident3 Ų390.2 Ų90.21%0.01444%0.439CS..Hα-helixtrans-66-38.2177.8-162.258.2-154.300110.8Y1619 T1625 V1646 Q1652 K1653 S1654Y1619-E1650 PolarHBondContact OH-OE2 2.85Å; T1625-E1650 WeakPolarHBondContact CB-OE1 3.37Å; T1625-E1650 WeakPolarHBondContact OG1-CG 3.49Å; T1625-E1650 PolarHBondContact OG1-OE1 3.31Å; V1646-E1650 PolarHBondContact O-N 3.32Å; E1650-Q1652 VanDerWaalsContact C-N 3.27Å; E1650-Q1652 PolarHBondContact O-N 3.29Å; E1650-K1653 PolarHBondContact O-N 2.97Å; E1650-K1653 IonicContact OE1-NZ 2.64Å; E1650-K1653 PolarHBondContact OE1-NZ 3.07Å; E1650-K1653 WeakPolarHBondContact OE2-CD 3.35Å; E1650-K1653 IonicContact OE2-NZ 2.72Å; E1650-K1653 PolarHBondContact OE2-NZ 3.37Å; E1650-S1654 WeakPolarHBondContact O-CB 3.46Å; E1650-S1654 PolarHBondContact O-N 3.31Å; E1650-S1654 PolarHBondContact O-OG 2.86Å
1651D84.4Confident78.5Confident56 Ų5690.6 Ų90.630%0.29943%0.433SS..Hα-helixtrans-61.1-30.8170.6-117.358.2000113.7Q1626 L1647 Y1649 K1655Q1626-D1651 PolarHBondContact NE2-OD1 3.32Å; L1647-D1651 WeakPolarHBondContact O-CB 3.46Å; L1647-D1651 PolarHBondContact O-N 3.43Å; Y1649-D1651 VanDerWaalsContact C-N 3.33Å; Y1649-D1651 PolarHBondContact O-N 3.15Å; D1651-K1655 WeakPolarHBondContact O-CD 3.39Å; D1651-K1655 WeakPolarHBondContact O-CG 3.4Å; D1651-K1655 PolarHBondContact O-N 3.3Å; D1651-K1655 PolarHBondContact O-NZ 3.47Å; D1651-K1655 IonicContact OD2-NZ 3.7Å; D1651-K1655 PolarHBondContact OD2-NZ 2.98Å
1652Q84.6Confident77.1Confident114 Ų11489.9 Ų89.953%0.53344%0.44SS..Hα-helixtrans-79.3-46.1175.1-78.1175.8-2.400110.9T1648 Y1649 E1650 S1654 K1655 T1656T1648-Q1652 WeakPolarHBondContact O-CB 3.28Å; T1648-Q1652 VanDerWaalsContact O-CG 3.31Å; T1648-Q1652 WeakPolarHBondContact O-CG 3.36Å; T1648-Q1652 PolarHBondContact O-N 2.9Å; Y1649-Q1652 CarbonylContact O-C 3.56Å; Y1649-Q1652 WeakPolarHBondContact O-CB 3.45Å; Y1649-Q1652 PolarHBondContact O-N 3.07Å; Y1649-Q1652 VanDerWaalsContact O-N 3.07Å; E1650-Q1652 VanDerWaalsContact C-N 3.27Å; E1650-Q1652 PolarHBondContact O-N 3.29Å; Q1652-S1654 PolarHBondContact O-N 3.34Å; Q1652-K1655 CarbonylContact O-C 3.59Å; Q1652-K1655 PolarHBondContact O-N 3.17Å; Q1652-K1655 VanDerWaalsContact O-N 3.14Å; Q1652-T1656 WeakPolarHBondContact O-CB 3.39Å; Q1652-T1656 PolarHBondContact O-N 3.39Å; Q1652-T1656 PolarHBondContact O-OG1 2.87Å; Q1652-T1656 VanDerWaalsContact O-OG1 3.05Å
1653K82.3Confident75.4Confident87 Ų8794.1 Ų94.138%0.37846%0.462SS..Hα-helixtrans-57.3-46.3175.7171.9170.7156-111.20111.5Y1649 E1650 K1655 T1656 W1657Y1649-K1653 HydrophobicContact CE1-CD 4.12Å; Y1649-K1653 WeakPolarHBondContact O-CB 3.47Å; Y1649-K1653 PolarHBondContact O-N 3.49Å; E1650-K1653 PolarHBondContact O-N 2.97Å; E1650-K1653 IonicContact OE1-NZ 2.64Å; E1650-K1653 PolarHBondContact OE1-NZ 3.07Å; E1650-K1653 WeakPolarHBondContact OE2-CD 3.35Å; E1650-K1653 IonicContact OE2-NZ 2.72Å; E1650-K1653 PolarHBondContact OE2-NZ 3.37Å; K1653-K1655 PolarHBondContact O-N 3.19Å; K1653-T1656 PolarHBondContact O-N 2.9Å; K1653-W1657 WeakPolarHBondContact O-CB 3.44Å; K1653-W1657 PolarHBondContact O-N 3.49Å
1654S75.6Confident73Confident45 Ų4599.7 Ų99.732%0.31549%0.486SS..Hα-helixtrans-57.1-48.5173-58.70000111.3E1650 Q1652 W1657 T1658E1650-S1654 WeakPolarHBondContact O-CB 3.46Å; E1650-S1654 PolarHBondContact O-N 3.31Å; E1650-S1654 PolarHBondContact O-OG 2.86Å; Q1652-S1654 PolarHBondContact O-N 3.34Å; S1654-W1657 PolarHBondContact O-N 2.97Å; S1654-T1658 PolarHBondContact O-N 2.89Å; S1654-T1658 PolarHBondContact O-OG1 2.94Å
1655K76.4Confident72.3Confident109 Ų10997.9 Ų97.947%0.47448%0.484SS..Hα-helixtrans-64.4-41.1178.8-70.3176.2-165.392.20112.7D1651 Q1652 K1653 W1657 T1658 I1659D1651-K1655 WeakPolarHBondContact O-CD 3.39Å; D1651-K1655 WeakPolarHBondContact O-CG 3.4Å; D1651-K1655 PolarHBondContact O-N 3.3Å; D1651-K1655 PolarHBondContact O-NZ 3.47Å; D1651-K1655 IonicContact OD2-NZ 3.7Å; D1651-K1655 PolarHBondContact OD2-NZ 2.98Å; Q1652-K1655 CarbonylContact O-C 3.59Å; Q1652-K1655 PolarHBondContact O-N 3.17Å; Q1652-K1655 VanDerWaalsContact O-N 3.14Å; K1653-K1655 PolarHBondContact O-N 3.19Å; K1655-W1657 VanDerWaalsContact C-N 3.35Å; K1655-T1658 PolarHBondContact O-N 3.4Å; K1655-I1659 WeakPolarHBondContact O-CB 3.41Å; K1655-I1659 WeakPolarHBondContact O-CD1 3.26Å; K1655-I1659 VanDerWaalsContact O-CG1 3.24Å; K1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; K1655-I1659 PolarHBondContact O-N 3.1Å
1656T72.6Confident71.5Confident94 Ų9494.8 Ų94.858%0.57747%0.474SS*.Hα-helixtrans-66-37.8177.2-60.10000111.4Q1652 K1653 I1659 R1660Q1652-T1656 WeakPolarHBondContact O-CB 3.39Å; Q1652-T1656 PolarHBondContact O-N 3.39Å; Q1652-T1656 PolarHBondContact O-OG1 2.87Å; Q1652-T1656 VanDerWaalsContact O-OG1 3.05Å; K1653-T1656 PolarHBondContact O-N 2.9Å; T1656-I1659 PolarHBondContact O-N 3.05Å; T1656-R1660 WeakPolarHBondContact O-CB 3.47Å; T1656-R1660 PolarHBondContact O-N 3.23Å
1657W64.6Low70.8Confident181 Ų18197.8 Ų97.869%0.68649%0.487SS*.Hα-helixtrans-65.8-49.6172.8-169.170.2000111K1653 S1654 K1655 I1659 R1660 T1661K1653-W1657 WeakPolarHBondContact O-CB 3.44Å; K1653-W1657 PolarHBondContact O-N 3.49Å; S1654-W1657 PolarHBondContact O-N 2.97Å; K1655-W1657 VanDerWaalsContact C-N 3.35Å; W1657-I1659 VanDerWaalsContact C-N 3.26Å; W1657-I1659 PolarHBondContact O-N 3.36Å; W1657-R1660 PolarHBondContact O-N 2.84Å; W1657-T1661 PolarHBondContact O-N 2.87Å; W1657-T1661 PolarHBondContact O-OG1 2.96Å; W1657-T1661 VanDerWaalsContact O-OG1 3.09Å
1658T67.3Low69.7Low88 Ų88101.2 Ų101.254%0.5450%0.503SS..Hα-helixtrans-59.8-32.3175.2-49.40000113.4S1654 K1655 A1662S1654-T1658 PolarHBondContact O-N 2.89Å; S1654-T1658 PolarHBondContact O-OG1 2.94Å; K1655-T1658 PolarHBondContact O-N 3.4Å; T1658-A1662 VanDerWaalsContact O-CB 3.3Å; T1658-A1662 WeakPolarHBondContact O-CB 3.44Å; T1658-A1662 PolarHBondContact O-N 3.21Å
1659I63.9Low68.6Low101 Ų101103.2 Ų103.252%0.51851%0.508SS..Hα-helixtrans-73.6-40.8173.9-72.8161.4000111K1655 T1656 W1657 A1662 M1663K1655-I1659 WeakPolarHBondContact O-CB 3.41Å; K1655-I1659 WeakPolarHBondContact O-CD1 3.26Å; K1655-I1659 VanDerWaalsContact O-CG1 3.24Å; K1655-I1659 WeakPolarHBondContact O-CG1 3.24Å; K1655-I1659 PolarHBondContact O-N 3.1Å; T1656-I1659 PolarHBondContact O-N 3.05Å; W1657-I1659 VanDerWaalsContact C-N 3.26Å; W1657-I1659 PolarHBondContact O-N 3.36Å; I1659-A1662 CarbonylContact O-C 3.59Å; I1659-A1662 PolarHBondContact O-N 3.05Å; I1659-M1663 HydrophobicContact CG2-CG 4.4Å; I1659-M1663 HydrophobicContact CG2-SD 3.83Å; I1659-M1663 VanDerWaalsContact O-CG 3.32Å; I1659-M1663 WeakPolarHBondContact O-CG 3.4Å; I1659-M1663 PolarHBondContact O-N 3.26Å
1660R55Low67.3Low155 Ų155100.2 Ų100.259%0.58550%0.503SS*.Hα-helixtrans-60.6-51.9175.8168.3171.2-90.2164.4-2.1110.8T1656 W1657 A1662 M1663 E1664T1656-R1660 WeakPolarHBondContact O-CB 3.47Å; T1656-R1660 PolarHBondContact O-N 3.23Å; W1657-R1660 PolarHBondContact O-N 2.84Å; R1660-A1662 PolarHBondContact O-N 3.05Å; R1660-M1663 PolarHBondContact O-N 3.06Å; R1660-E1664 VanDerWaalsContact CD-OE1 3.23Å; R1660-E1664 WeakPolarHBondContact CD-OE1 3.48Å; R1660-E1664 HydrophobicContact CG-CG 4.44Å; R1660-E1664 WeakPolarHBondContact CG-OE1 3.33Å; R1660-E1664 WeakPolarHBondContact CG-OE2 3.47Å; R1660-E1664 IonicContact NE-OE1 2.65Å; R1660-E1664 PolarHBondContact NE-OE1 3.17Å; R1660-E1664 WeakPolarHBondContact O-CB 3.32Å; R1660-E1664 PolarHBondContact O-N 3.36Å
1661T56.9Low65.9Low79 Ų79107.1 Ų107.149%0.48554%0.538SS..THydrogen-bonded Turntrans-72.716.2175.6-36.70000113.6W1657W1657-T1661 PolarHBondContact O-N 2.87Å; W1657-T1661 PolarHBondContact O-OG1 2.96Å; W1657-T1661 VanDerWaalsContact O-OG1 3.09Å
1662A55Low64.4Low76 Ų76111.1 Ų111.163%0.62856%0.556SS**THydrogen-bonded Turntrans-133.815169.300000112T1658 I1659 R1660T1658-A1662 VanDerWaalsContact O-CB 3.3Å; T1658-A1662 WeakPolarHBondContact O-CB 3.44Å; T1658-A1662 PolarHBondContact O-N 3.21Å; I1659-A1662 CarbonylContact O-C 3.59Å; I1659-A1662 PolarHBondContact O-N 3.05Å; R1660-A1662 PolarHBondContact O-N 3.05Å
1663M47.7Very low62.7Low163 Ų163110.8 Ų110.880%0.80356%0.558SS**THydrogen-bonded Turntrans-131.2-29.4173.8-70.9-173.4109.700111.2I1659 R1660I1659-M1663 HydrophobicContact CG2-CG 4.4Å; I1659-M1663 HydrophobicContact CG2-SD 3.83Å; I1659-M1663 VanDerWaalsContact O-CG 3.32Å; I1659-M1663 WeakPolarHBondContact O-CG 3.4Å; I1659-M1663 PolarHBondContact O-N 3.26Å; R1660-M1663 PolarHBondContact O-N 3.06Å
1664E35.7Very low61Low152 Ų152113 Ų11371%0.7158%0.575SS**  trans-68.50146.5-71.1150.7-16400110.4R1660R1660-E1664 VanDerWaalsContact CD-OE1 3.23Å; R1660-E1664 WeakPolarHBondContact CD-OE1 3.48Å; R1660-E1664 HydrophobicContact CG-CG 4.44Å; R1660-E1664 WeakPolarHBondContact CG-OE1 3.33Å; R1660-E1664 WeakPolarHBondContact CG-OE2 3.47Å; R1660-E1664 IonicContact NE-OE1 2.65Å; R1660-E1664 PolarHBondContact NE-OE1 3.17Å; R1660-E1664 WeakPolarHBondContact O-CB 3.32Å; R1660-E1664 PolarHBondContact O-N 3.36Å

Retrieved 1,664 of 1,664 residues in 399.3 ms (Link to these results)