A0A3Q0KL86_SCHMA Loading...

Smp_127450

AlphaFold DB , UniProt , Accession A0A3Q0KL86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,322 aa.

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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
1M39.3Very low38.2Very low230 Ų230146.7 Ų146.7100%1.13378%0.775SS**  0114.60-66.9164.5165.800107.5
2N41.3Very low37.9Very low148 Ų148147.1 Ų147.179%0.79178%0.776SS**  cis-120.8126.4-28.1-68.4-16.1000105.3
3M35.6Very low37.6Very low157 Ų157146.3 Ų146.377%0.77377%0.773SS**  71.5118.565.7-94.1-177.8154.800114.9
4N39.8Very low37.2Very low121 Ų121147.8 Ų147.865%0.64777%0.774SS**  trans73.3153.3152.7-62.860.4000118.2
5D38.9Very low36.9Very low116 Ų116146.3 Ų146.362%0.6277%0.774SS**  cis176.7174.2-31.4-95-25.9000105.5
6N40.4Very low36.7Very low143 Ų143144.2 Ų144.277%0.76577%0.774SS**  trans72.1149.6166.7-51.1-29.6000115.8
7E36.5Very low36.5Very low166 Ų166148.2 Ų148.278%0.77678%0.783SS**  cis-175.8175.9-32.6-127.3-176.9178.400107.5
8S37.9Very low36.5Very low96 Ų96147.9 Ų147.967%0.67178%0.782SS**  trans76.3140.9153.3-70.10000121.8
9T40.8Very low36.4Very low126 Ų126148.2 Ų148.277%0.77378%0.782SS**  trans57.7102.3159.451.30000118
10M37.2Very low36.3Very low166 Ų166144.3 Ų144.382%0.81878%0.779SS**  80.2113.665-78.3-164.8154.300116.1
11L32Very low36.4Very low145 Ų145147.4 Ų147.476%0.75979%0.785SS**  trans48.2120133-53.9172.4000119.6
12L34.6Very low36.3Very low151 Ų151143.8 Ų143.879%0.79177%0.77SS**  174.8171.4110.7-95.3166.8000113.2
13N34.8Very low36.1Very low137 Ų137141.8 Ų141.873%0.73377%0.768SS**  trans69.4110.6173.4-50.5-20.2000114.4
14E31Very low36.2Very low167 Ų167143.5 Ų143.578%0.7877%0.771SS**  cis69.6121.541.9-54.3-163.4130.800115.4
15T33.8Very low36.2Very low126 Ų126146.2 Ų146.277%0.77378%0.777SS**  trans27.811614660.10000119.7
16S33.4Very low36.1Very low112 Ų112145.6 Ų145.678%0.78378%0.778SS**  174.5122127.6-81.20000113.8
17F33.1Very low36.1Very low212 Ų212146.2 Ų146.293%0.9378%0.776SS**  -159.2112.6126.7-129.5-82.5000111.3
18L36.3Very low36Very low144 Ų144147.9 Ų147.975%0.75478%0.776SS**  trans-99.1138.9177.4-84.5160.2000111.2
19I35.7Very low36.3Very low152 Ų152148.7 Ų148.778%0.77978%0.778SS**  trans4099.6138.9-55177.9000117.3
20G34.1Very low36.3Very low70 Ų70147.5 Ų147.572%0.72277%0.767SS**  85.8164.19700000120.2
21K37Very low36.5Very low211 Ų211146.5 Ų146.592%0.91776%0.761SS**  trans-144.2126.1162.9-72.4-169.8177.6174.20110.5
22N38.5Very low37.1Very low154 Ų154145.5 Ų145.582%0.82476%0.756SS**  trans-89.3157.7174.6-69.1-33.4000111.7
23S37.2Very low37.4Very low105 Ų105143.7 Ų143.773%0.73475%0.747SS**  147.1125.6110.3-68.40000114.1
24F37.7Very low37.8Very low193 Ų193146.3 Ų146.385%0.84675%0.748SS**  -174.2105.9128-100.5-78.9000104.7
25K38.5Very low38.3Very low178 Ų178144.4 Ų144.477%0.77474%0.743SS**  5412293-73.6-168.6173.9-1740113.3
26T38.3Very low38.5Very low104 Ų104144.6 Ų144.664%0.63874%0.74SS**  cis-149.8-154.4-0.7-80000109.9
27E40.6Very low38.7Very low156 Ų156147 Ų14773%0.72974%0.739SS**  cis-152.4-154.519.3-153.649.9-87.700111.7
28R33.4Very low39Very low201 Ų201143.1 Ų143.176%0.75873%0.725SS**  trans-150.2-174.4-172-102.1-172.3-174.4-148.22.7109
29P44.2Very low39.1Very low112 Ų112142.2 Ų142.273%0.72772%0.721SS**  cis-124.7178.76.743.5-27.8000113.1
30N40.1Very low39.3Very low102 Ų102141.3 Ų141.355%0.54572%0.717SS.*  cis-132.4-144.512.1-144.115.9000110
31E42Very low39.5Very low144 Ų144145.7 Ų145.767%0.67372%0.722SS**  cis-143.4-175.25.3-145.8111.1-111.100110.6
32D45Very low39.6Very low125 Ų125138.5 Ų138.567%0.66871%0.708SS**  trans-34.9149.7173.6-50.1-12.8000115.9
33D41.7Very low39.7Very low112 Ų112139.7 Ų139.760%0.59971%0.708SS**  cis-161.5152.99.6-125.9-9.1000112.3
34Y42.1Very low39.8Very low192 Ų192141 Ų14175%0.75371%0.707SS**  trans39.9142.9158.7-55.8-61.5000122.5
35D40.7Very low39.9Very low127 Ų127138.8 Ų138.868%0.67970%0.703SS**  cis-161170.1-6.9-133-25.1000114.3
36N38.3Very low40Very low131 Ų131135.1 Ų135.170%0.70170%0.698SS**  trans-39.5169.6173.1-70.7-76.6000119.4
37E38.5Very low40Very low162 Ų162137.6 Ų137.676%0.75770%0.702SS**  cis-152.3-175.120.1-108.7-144113.800109.2
38M38.3Very low39.7Very low131 Ų131137.3 Ų137.365%0.64571%0.706SS**  cis-178.8170.6-41.4-97.5-68.8-165.200110.5
39N39.7Very low39.8Very low125 Ų125131.5 Ų131.567%0.66871%0.709SS**  trans70149.9156.9-61.3-28.3000119.8
40L38.7Very low39.4Very low133 Ų133133.8 Ų133.870%0.69672%0.715SS**  cis-164156.1-8.3-140.268.6000112.3
41I39.9Very low39.3Very low161 Ų161137.8 Ų137.883%0.82673%0.73SS**  trans65.3144.9159.8-62.7160.6000118.1
42G38.6Very low38.9Very low61 Ų61138 Ų13863%0.62974%0.735SS**  cis152.8151.8-12.200000115.8
43H40.3Very low38.7Very low178 Ų178139.1 Ų139.182%0.82474%0.74SS**  trans73.5161.1172-81.526.3000119.9
44N40.3Very low38.5Very low132 Ų132139.9 Ų139.971%0.70674%0.744SS**  178.5179.2-50.7-103.9-15.3000111.2
45I39.1Very low38.3Very low148 Ų148137.4 Ų137.476%0.75974%0.744SS**  trans81114.1167.9-52.5-179000113.2
46C39.9Very low38.1Very low100 Ų100139.6 Ų139.668%0.67675%0.749SS**  83.414855.1-68.60000113.2
47Q38.8Very low38.1Very low156 Ų156141.3 Ų141.373%0.72976%0.757SS**  cis-162.5160.27.6-125.7164.833.800112.9
48N34.8Very low38.2Very low151 Ų151139.3 Ų139.381%0.80775%0.752SS**  trans29.5140.5146.7-56.8-6000123.2
49G35.1Very low38.2Very low79 Ų79141.1 Ų141.181%0.81476%0.759SS**  trans176.871.715900000118.3
50N35.5Very low38.3Very low160 Ų160140.8 Ų140.886%0.85676%0.756SS**  trans-73.4138.1162.4-76.1-0.2000110.4
51H37.4Very low38.4Very low186 Ų186139.8 Ų139.886%0.86175%0.752SS**  trans-156.8159.7150-109.765.9000110.6
52N34.7Very low38.4Very low147 Ų147137.5 Ų137.579%0.78674%0.742SS**  trans-133.6123.1-172.3-178.519.5000109.3
53I39.6Very low38.5Very low150 Ų150143.9 Ų143.977%0.76975%0.748SS**  trans-141.2128.5-175.1-56.6-176.9000112.5
54N37.7Very low38.3Very low127 Ų127143 Ų14368%0.67974%0.744SS**  trans-71.3175.7-176.6-53.1-29.4000117.1
55N37.7Very low38.4Very low140 Ų140143.6 Ų143.675%0.74975%0.747SS**  trans98.2113.4138.9-72.6-8.4000121.9
56H36.3Very low38.5Very low173 Ų173142.5 Ų142.580%0.80174%0.743SS**  18.5139127.8-69.9-79.5000122.4
57I39.7Very low38.5Very low168 Ų168144.2 Ų144.286%0.86275%0.746SS**  trans179.4152.4132.9-95.4151000108
58N40.6Very low38.6Very low120 Ų120142.9 Ų142.964%0.64274%0.743SS**  cis-167.3-171.3-37.4-163.858.9000108.2
59E38.3Very low39.1Very low169 Ų169142.3 Ų142.379%0.7974%0.74SS**  trans87.8115166.9-60169-160.200115.3
60N41Very low39.5Very low117 Ų117146.1 Ų146.163%0.62674%0.742SS**  cis96.1143.141.2-77.255.2000111.3
61D41Very low39.9Very low113 Ų113145.1 Ų145.160%0.60474%0.737SS**  cis-164.3172-7.4-83.3-26.1000107.4
62N39.5Very low40.2Very low113 Ų113143.8 Ų143.860%0.60473%0.734SS**  cis-171.3173.8-34.3-83.9-21.7000108.6
63Y40.7Very low40.7Very low194 Ų194142.5 Ų142.576%0.76173%0.727SS**  trans75.8129.8170.9-56.2-70.8000116.2
64E37.2Very low40.7Very low161 Ų161142.2 Ų142.275%0.75273%0.727SS**  cis76.6104.649.8-65.5-179.4167.800113.6
65D40.8Very low40.7Very low144 Ų144141.3 Ų141.377%0.7772%0.723SS**  177.1142.5104.1-111.40.4000114
66D41.4Very low40.8Very low125 Ų125144.1 Ų144.167%0.66872%0.724SS**  trans19.9162151.3-66.6-9.4000125.8
67N40.8Very low41Very low136 Ų136141.4 Ų141.473%0.72772%0.72SS**  trans77146.5163-32.7-90.2000117
68D41.6Very low40.9Very low128 Ų128142.1 Ų142.168%0.68472%0.72SS**  cis-166.9171.4-23.2-99.4-18.9000107.9
69D43.6Very low40.7Very low138 Ų138142.6 Ų142.674%0.73872%0.721SS**  trans37.9114.9154.1-56.6-17.1000121
70D44.6Very low40.7Very low159 Ų159143.8 Ų143.885%0.8573%0.727SS**  -179.314798.7-103.1-26.8000112.5
71D44.4Very low40.4Very low139 Ų139144.5 Ų144.574%0.74373%0.726SS**  trans-76.1163.5-169.5-58-58.1000115.7
72I43.7Very low40.2Very low159 Ų159145.7 Ų145.782%0.81573%0.732SS**  -177.599.1118.6-88.9153.5000110.8
73D44Very low40Very low120 Ų120148.1 Ų148.164%0.64275%0.745SS**  trans43.3120.8131.8-61.7-2.5000123.3
74N39.1Very low39.6Very low143 Ų143144.2 Ų144.277%0.76575%0.746SS**  81.2152.4126.6-64-7.6000122.8
75D39.1Very low39.5Very low109 Ų109142.3 Ų142.358%0.58375%0.745SS**  cis-170152.7-39.8-148.7-12.7000109.7
76Y39.8Very low39.2Very low198 Ų198142.1 Ų142.178%0.77675%0.749SS**  trans54.7161.3170.1-63.8-65.9000117.1
77T41Very low38.9Very low117 Ų117143.7 Ų143.772%0.71875%0.752SS**  cis-159.8152.1-4.470000105
78E36.3Very low38.4Very low182 Ų182146.1 Ų146.185%0.8576%0.759SS**  cis-149.7-166.8-8.7-154.3169.4-159.400108.3
79L37.1Very low38.1Very low130 Ų130147.3 Ų147.368%0.68176%0.764SS**  trans-101.4148.6-178.7-70.2132.5000112.9
80H37Very low37.6Very low194 Ų194148.9 Ų148.990%0.89877%0.773SS**  trans-151.5113.2137.7-118.8-71.9000114.6
81H35.9Very low37.1Very low133 Ų133146.3 Ų146.362%0.61677%0.767SS**  trans-54.7160163.3-78.2-86.9000113
82D35.7Very low36.5Very low137 Ų137149.6 Ų149.673%0.73378%0.777SS**  cis-162.9-173.414.9-125.8-13.3000113.1
83L36.9Very low36.1Very low165 Ų165147.2 Ų147.286%0.86478%0.775SS**  trans92.766.5165.1-56.1-179.6000119.1
84S31.9Very low35.6Very low112 Ų112149.3 Ų149.378%0.78378%0.784SS**  trans-89.1144.7146.3173.50000110.9
85T35.2Very low35.4Very low121 Ų121151.7 Ų151.774%0.74279%0.791SS**  trans164.8112.7139.8-69.90000110.3
86V33.6Very low35.1Very low139 Ų139151.7 Ų151.784%0.84280%0.8SS**  -162129.7121.2167.70000108.1
87H36Very low34.9Very low159 Ų159151 Ų15174%0.73680%0.803SS**  trans-36.3136.8177.2-75.6-85.9000119.5
88E30.2Very low34.6Very low187 Ų187153.7 Ų153.787%0.87481%0.808SS**  trans-64.4148.3141.6-59.5168.4138.500110.3
89L35.4Very low34.6Very low152 Ų152151 Ų15180%0.79680%0.804SS**  trans-140.4112.4166.1-78.5178.5000110.9S91L89-S91 PolarHBondContact O-N 2.92Å
90D32.8Very low34.4Very low172 Ų172153.9 Ų153.992%0.9282%0.816SS**  trans-55.7131.6158.4-93.3-46.8000110.4
91S33.7Very low34.2Very low104 Ų104148.9 Ų148.973%0.72780%0.803SS**  trans-154.784.9162.455.60000113.1L89 S93L89-S91 PolarHBondContact O-N 2.92Å; S91-S93 PolarHBondContact O-N 3.26Å; S91-S93 VanDerWaalsContact O-N 3.14Å
92H33Very low34Very low208 Ų208149.2 Ų149.296%0.96382%0.815SS**  trans-61106.4147.6-82.7-29.7000108.9
93S34.3Very low33.9Very low109 Ų109148 Ų14876%0.76281%0.813SS**  trans-144.9147.8158.5-164.30000111.1S91S91-S93 PolarHBondContact O-N 3.26Å; S91-S93 VanDerWaalsContact O-N 3.14Å
94I34.5Very low33.6Very low164 Ų164151.4 Ų151.484%0.84181%0.814SS**  trans-91.1118-179.8-62.1162000107.6
95E34.7Very low33.6Very low194 Ų194150.8 Ų150.891%0.90781%0.805SS**  trans-143.4142.7160.9-131.6160-132.100111
96S32.8Very low33.5Very low109 Ų109151.9 Ų151.976%0.76281%0.805SS**  trans-117.6113.7-162.458.40000111.5
97E35.4Very low33.6Very low182 Ų182150.8 Ų150.885%0.8580%0.799SS**  trans-141106.6169.9-133.8167.3-134.700115.5
98Q33.7Very low33.3Very low174 Ų174152.7 Ų152.781%0.81381%0.805SS**  trans33.1107.9144.7-56-175.633.100119.4M100Q98-M100 PolarHBondContact O-N 3.21Å
99T37.3Very low33.5Very low127 Ų127153 Ų15378%0.77980%0.803SS**  trans-57.8126.2165.851.10000113.1S101T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 2.67Å
100M31.4Very low33.3Very low189 Ų189152.2 Ų152.293%0.93181%0.805SS**  trans-71.178.6169.7-82.1-74.8-17500112.2Q98 T102Q98-M100 PolarHBondContact O-N 3.21Å; M100-T102 PolarHBondContact O-N 2.97Å; M100-T102 VanDerWaalsContact O-N 3.14Å
101S33.1Very low33.3Very low90 Ų90150.2 Ų150.263%0.62980%0.799SS**  trans-77.695.7175.2-59.30000112T99 T103T99-S101 VanDerWaalsContact C-N 3.32Å; T99-S101 PolarHBondContact O-N 2.67Å; S101-T103 PolarHBondContact O-N 3.42Å; S101-T103 PolarHBondContact O-OG1 3.12Å
102T32.9Very low33.4Very low140 Ų140151 Ų15186%0.85980%0.8SS**  trans-5694.9178-58.20000112.1M100 R104M100-T102 PolarHBondContact O-N 2.97Å; M100-T102 VanDerWaalsContact O-N 3.14Å; T102-R104 PolarHBondContact O-N 2.72Å
103T32Very low33.6Very low111 Ų111147 Ų14768%0.68179%0.79SS**  trans-82.6102.2-169.6-56.90000111.6S101 V105S101-T103 PolarHBondContact O-N 3.42Å; S101-T103 PolarHBondContact O-OG1 3.12Å; T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 HydrophobicContact CG2-CG2 3.64Å; T103-V105 PolarHBondContact O-N 2.68Å
104R32.4Very low33.7Very low236 Ų236146.4 Ų146.489%0.89178%0.784SS**  trans-73.284.3166.7-105.6-174.7175.7175.91.7110.6T102 I106T102-R104 PolarHBondContact O-N 2.72Å; R104-I106 PolarHBondContact O-N 3.49Å; R104-I106 VanDerWaalsContact O-N 3.12Å
105V31.9Very low33.9Very low100 Ų100146.3 Ų146.361%0.60679%0.785SS**  trans-67.9104.9178-177.20000111T103 T107T103-V105 VanDerWaalsContact C-N 3.33Å; T103-V105 HydrophobicContact CG2-CG2 3.64Å; T103-V105 PolarHBondContact O-N 2.68Å; V105-T107 HydrophobicContact CG1-CG2 3.55Å
106I33.2Very low33.9Very low143 Ų143140.8 Ų140.873%0.73378%0.781SS**  trans-104.371.5168.9-52.6-177.8000109.6R104 K108R104-I106 PolarHBondContact O-N 3.49Å; R104-I106 VanDerWaalsContact O-N 3.12Å; I106-K108 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact O-N 3.16Å
107T34.2Very low33.9Very low117 Ų117142.7 Ų142.772%0.71878%0.78SS**  trans-8091.8175.243.40000111.9V105 K109V105-T107 HydrophobicContact CG1-CG2 3.55Å; T107-K109 PolarHBondContact O-N 2.95Å
108K30.7Very low33.8Very low198 Ų198141.6 Ų141.686%0.86178%0.779SS**  trans-75.7108.5158-73.1-179.3178.9174.70108.8I106I106-K108 PolarHBondContact O-N 3.45Å; I106-K108 VanDerWaalsContact O-N 3.16Å
109K33.8Very low33.6Very low194 Ų194140.7 Ų140.784%0.84377%0.774SS**  trans-131.6123.9172.5-152171.5-172.3176.70109.8T107T107-K109 PolarHBondContact O-N 2.95Å
110T31.8Very low33.2Very low136 Ų136141.5 Ų141.583%0.83477%0.772SS**  trans-103114.3-167.946.50000112.5
111T33.2Very low33.2Very low130 Ų130142 Ų14280%0.79877%0.765SS**  trans-147.389171.9-30.30000113.3
112T35.5Very low33Very low121 Ų121146.3 Ų146.374%0.74278%0.775SS**  -0.3130.6129.5-57.40000115.6
113T36.4Very low33Very low122 Ų122145.1 Ų145.175%0.74877%0.768SS**  cis-177.5-175.64.821.30000108
114P36.8Very low33.2Very low97 Ų97147.4 Ų147.463%0.6378%0.776SS**  cis-136-172.8-25.634-13.4000114.6
115N37.8Very low33.3Very low162 Ų162143.3 Ų143.387%0.86677%0.772SS**  trans70.3109.5153-64.4-15.2000120.8
116G36.1Very low33.5Very low79 Ų79143.9 Ų143.981%0.81478%0.78SS**  trans173.692.2164.500000111.7
117I33Very low33.5Very low148 Ų148145.1 Ų145.176%0.75978%0.782SS**  trans-96.9121.2-164.6-57.2168.9000112.7
118I31.8Very low33.5Very low160 Ų160145.7 Ų145.782%0.82178%0.781SS**  trans-136.3152.3145.8-63.3-171.9000107.8
119H31.5Very low33.7Very low154 Ų154143.2 Ų143.271%0.71378%0.777SS**  trans-78.6149.4-157.1-66.3-96.9000116.7
120I28.8Very low33.7Very low144 Ų144140.6 Ų140.674%0.73877%0.772SS**  trans-108.2141.3166.9-62.8170.9000108.6
121Y31.2Very low33.8Very low199 Ų199137.7 Ų137.778%0.7876%0.758SS**  trans-122.6101160.4-81.3-81.3000110
122H27.5Very low33.7Very low181 Ų181138.5 Ų138.584%0.83876%0.757SS**  trans-128.8105.1157.6-92.1-56.8000106.9
123T33.6Very low33.7Very low115 Ų115139.8 Ų139.871%0.70676%0.76SS**  trans-146.6109.1178.349.60000108.9
124D35.5Very low33.5Very low159 Ų159138.9 Ų138.985%0.8575%0.754SS**  trans-131.3123.5146.2-105.6-46.1000109.7
125N35.2Very low33.4Very low150 Ų150140.2 Ų140.280%0.80276%0.761SS**  trans-36.9130-168.4-58.3-73.9000117.6
126S35.1Very low33.2Very low112 Ų112141.1 Ų141.178%0.78375%0.752SS**  -164.1146.892.7-166.30000113
127H35.1Very low33.2Very low169 Ų169146 Ų14678%0.78275%0.747SS**  trans-152.7129.5174-117.851000110.6
128N32.4Very low33.3Very low130 Ų130147.2 Ų147.270%0.69575%0.75SS**  trans56.4130.1167.3-65-32.1000116.9
129N35.3Very low33.4Very low146 Ų146148.2 Ų148.278%0.78175%0.748SS**  -155.8128.461.4-90.3-75.3000114.9
130N35Very low33.6Very low138 Ų138148.6 Ų148.674%0.73875%0.75SS**  71.8137.6122.6-149.711.6000121.6
131S33.7Very low34Very low76 Ų76148.3 Ų148.353%0.53175%0.749SS.*  trans5999.7149.6600000121.1
132N31.4Very low34.1Very low146 Ų146145.4 Ų145.478%0.78175%0.747SS**  68.5140.5118.5-54.4-20.1000121.5
133N33.9Very low34.5Very low149 Ų149143.2 Ų143.280%0.79774%0.741SS**  trans73.4151154.1-67.9-34.2000118.7
134T33.1Very low34.5Very low103 Ų103147.3 Ų147.363%0.63275%0.745SS**  cis-174.4144.1-28.4-101.10000107.2
135T35.3Very low34.5Very low125 Ų125146.5 Ų146.577%0.76774%0.741SS**  trans61.5163.4172.751.20000118.3
136R33.2Very low34.7Very low181 Ų181145.7 Ų145.768%0.68374%0.736SS**  cis-179.2150.6-31.1-170.3176.1-162.6170.35.1107.7
137Y34.7Very low34.6Very low180 Ų180147.1 Ų147.171%0.70674%0.736SS**  trans71.4154.8178.9-44.5-70000114.5
138Q35.3Very low34.8Very low175 Ų175146.1 Ų146.182%0.81874%0.736SS**  cis-149165.3-1.3-137.7157.5-4.400112.5
139K34.5Very low35Very low180 Ų180149.4 Ų149.478%0.78375%0.747SS**  trans-54.7150.8-174-53.2172.2177.5-177.80115.4
140H36.3Very low35Very low162 Ų162147.5 Ų147.575%0.7574%0.74SS**  -179131.4106.5-101.6-79.8000114.2
141L36.2Very low35.1Very low138 Ų138149.1 Ų149.172%0.72375%0.747SS**  trans39.8108.9150.5-58.6164.8000119
142N34Very low35.4Very low138 Ų138151.8 Ų151.874%0.73876%0.756SS**  66.7108.474.2-72.651.7000115.6
143N35.6Very low35.4Very low135 Ų135152.4 Ų152.472%0.72276%0.759SS**  -177.8142.1105.7-100.65000113.8
144Y33.2Very low35.6Very low202 Ų202154.6 Ų154.679%0.79277%0.767SS**  trans52.997165.8-64.7-67.3000119
145D36.7Very low35.7Very low142 Ų142157 Ų15776%0.75978%0.776SS**  trans-146.198.1145.9-149.5-7.1000106.5N147D145-N147 PolarHBondContact OD1-ND2 3.22Å
146D39.6Very low35.6Very low132 Ų132158.6 Ų158.671%0.70678%0.779SS**  trans-140.6110.8178-74.9-55.9000107
147N32.7Very low35.8Very low143 Ų143157.8 Ų157.877%0.76579%0.789SS**  trans-125.477.1176.6-71.7-90.4000108.3D145D145-N147 PolarHBondContact OD1-ND2 3.22Å
148D38Very low36Very low148 Ų148156.7 Ų156.779%0.79179%0.794SS**  trans-85.3131.7173-78-34.9000110.8V150D148-V150 PolarHBondContact O-N 2.82Å
149E37Very low35.8Very low199 Ų199154.9 Ų154.993%0.9379%0.79SS**  trans-81.8105.6177.2-65.1-179.6127.300110.3
150V36.6Very low35.7Very low105 Ų105152.1 Ų152.164%0.63679%0.791SS**  trans-141.8106.3171.4-175.50000110.9D148D148-V150 PolarHBondContact O-N 2.82Å
151I36Very low35.4Very low172 Ų172152.4 Ų152.488%0.88279%0.793SS**  trans-143.8131.3135.5-64.9-167.1000106.1
152D39.6Very low35.3Very low133 Ų133152.3 Ų152.371%0.71179%0.793SS**  trans-85.5173.7-163.8-48.4-95.3000115.3
153D33Very low35.2Very low159 Ų159153.7 Ų153.785%0.8580%0.795SS**  trans-58.4139.2178.2-51.7-64000113.6
154M36.4Very low34.9Very low194 Ų194152.6 Ų152.696%0.95680%0.798SS**  trans-150.881.4156.1-82.6-155.1165.500110.7
155D35.2Very low34.9Very low155 Ų155150.6 Ų150.683%0.82980%0.8SS**  trans-109.2168.7153.7-86.4-47.6000108.3
156D35.2Very low34.7Very low157 Ų157149.7 Ų149.784%0.8480%0.795SS**  trans60.592.2174.2-62.2-22.7000117.9
157D36.9Very low34.2Very low164 Ų164151.4 Ų151.488%0.87780%0.799SS**  -161.1175126.6-132.9-30.9000113.2
158I38.6Very low34.3Very low158 Ų158152.6 Ų152.681%0.8180%0.804SS**  trans73.878179.9-43.4177.9000114.5
159N29.8Very low33.8Very low137 Ų137153 Ų15373%0.73381%0.806SS**  trans-113.5115141.8-178.953.5000109.1
160C34.3Very low33.7Very low121 Ų121150.8 Ų150.882%0.81880%0.799SS**  trans-151.1111.5167.6-86.70000108.7
161E29.3Very low33.4Very low169 Ų169151.5 Ų151.579%0.7980%0.804SS**  trans-71.7142.3158-63.5155.9134.600107.5
162D33.2Very low33.2Very low135 Ų135151 Ų15172%0.72280%0.803SS**  -178.5161.8105.9-129.1-19.3000116.4
163Q32.7Very low32.8Very low167 Ų167152.4 Ų152.478%0.7881%0.805SS**  trans59114.7149.7-72.9162.153.500121.5
164S28.9Very low32.8Very low113 Ų113150.2 Ų150.279%0.7980%0.803SS**  trans-79.7144.917151.60000114.5
165I33.7Very low32.6Very low160 Ų160148 Ų14882%0.82179%0.793SS**  trans-135.8118.9154.3-60.9-176.4000110.7
166N32.6Very low32.4Very low123 Ų123149.8 Ų149.866%0.65879%0.79SS**  trans17.3126.4157-63.252.6000122.4
167E29.6Very low32.2Very low168 Ų168151.7 Ų151.779%0.78579%0.786SS**  40.7122.3119.2-55.9166144.300120.3
168L33.2Very low31.9Very low168 Ų168152 Ų15288%0.8878%0.782SS**  -157.6121.1128.9-118.9163000110.2
169D27.9Very low31.6Very low155 Ų155150.2 Ų150.283%0.82978%0.781SS**  trans-66.5133.9176.9-75.5-56.2000112
170I34.8Very low31.7Very low154 Ų154154.8 Ų154.879%0.7979%0.79SS**  trans-133.2110.6157.4-59.2-177.4000107.8D172I170-D172 PolarHBondContact O-N 3.01Å
171T31.2Very low31.5Very low120 Ų120154.6 Ų154.674%0.73679%0.79SS**  trans-73.1113.4174.948.70000110.3E173T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 2.84Å
172D32.3Very low31.5Very low160 Ų160158 Ų15886%0.85680%0.796SS**  trans-81.565.9-171.3-152.926.5000112.6I170I170-D172 PolarHBondContact O-N 3.01Å
173E30.9Very low31.3Very low163 Ų163156.5 Ų156.576%0.76280%0.796SS**  trans-81.5139.7172.1-74.3-158.9130.400112.6T171T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 2.84Å
174S31.4Very low31.3Very low114 Ų114156.8 Ų156.880%0.79780%0.797SS**  trans76.852.3154.477.10000121
175I34Very low31.3Very low146 Ų146157.8 Ų157.875%0.74979%0.792SS**  trans-119.575.2152.2-48.6-175.7000112.4Y177I175-Y177 HydrophobicContact CG2-CD2 4.04Å
176Y29.6Very low31Very low194 Ų194156.4 Ų156.476%0.76179%0.786SS**  trans-86.3110.9165.3-122.2-91.5000109.8
177Y32.2Very low30.9Very low197 Ų197156.2 Ų156.277%0.77379%0.789SS**  trans-124.5115.3171.5-106.6-69.9000111.2I175I175-Y177 HydrophobicContact CG2-CD2 4.04Å
178E30.3Very low30.8Very low169 Ų169154.1 Ų154.179%0.7979%0.788SS**  trans-64.3139.8178.9-72.6-166.2115.100112.8Y180E178-Y180 PolarHBondContact O-N 3.39Å
179P32.1Very low30.9Very low121 Ų121154.3 Ų154.379%0.78679%0.789SS**  trans-74.2106.7169.530.3-32.4000110.4S181P179-S181 PolarHBondContact O-N 3.27Å
180Y30.8Very low31Very low233 Ų233150.3 Ų150.391%0.91478%0.784SS**  trans-42110176.3-98-83.4000113.2E178 R182E178-Y180 PolarHBondContact O-N 3.39Å; Y180-R182 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact O-N 3.09Å
181S30Very low31.1Very low118 Ų118153.2 Ų153.283%0.82579%0.791SS**  trans-63.7110.5178.4-84.70000111.5P179 S183P179-S181 PolarHBondContact O-N 3.27Å; S181-S183 PolarHBondContact O-N 3.4Å
182R29.8Very low31.1Very low241 Ų241150.4 Ų150.491%0.90979%0.787SS**  trans-75.689.5-179.1-168.4-175.9-168.7-155.24.6110.6Y180 Q184Y180-R182 PolarHBondContact O-N 2.82Å; Y180-R182 VanDerWaalsContact O-N 3.09Å; R182-Q184 PolarHBondContact O-N 2.69Å
183S29.6Very low31.4Very low103 Ų103149.7 Ų149.772%0.7278%0.783SS**  trans-48.3107-179.661.10000113S181 I185S181-S183 PolarHBondContact O-N 3.4Å; S183-I185 PolarHBondContact O-N 3.02Å
184Q31.4Very low31.4Very low172 Ų172149.9 Ų149.980%0.80478%0.784SS**  trans-77.4119.1165.8-67.2-167.61300108.8R182 N186R182-Q184 PolarHBondContact O-N 2.69Å; Q184-N186 PolarHBondContact O-N 2.9Å; Q184-N186 VanDerWaalsContact O-N 3.15Å
185I29.3Very low31.6Very low135 Ų135150.8 Ų150.869%0.69278%0.779SS**  trans-83.192.4179.2-54.1178000108.4S183 V187S183-I185 PolarHBondContact O-N 3.02Å; I185-V187 HydrophobicContact CG2-CG2 3.82Å; I185-V187 PolarHBondContact O-N 2.69Å
186N27.2Very low31.5Very low130 Ų130150.6 Ų150.670%0.69578%0.779SS**  trans-70.496.6170-82.6-17000110.3Q184 T188Q184-N186 PolarHBondContact O-N 2.9Å; Q184-N186 VanDerWaalsContact O-N 3.15Å; N186-T188 PolarHBondContact O-N 3.5Å
187V30.8Very low31.6Very low119 Ų119148.7 Ų148.772%0.72178%0.782SS**  trans-85.980.9170.9-173.30000109.4I185 L189I185-V187 HydrophobicContact CG2-CG2 3.82Å; I185-V187 PolarHBondContact O-N 2.69Å; V187-L189 PolarHBondContact O-N 2.93Å
188T28.9Very low31.7Very low125 Ų125145.5 Ų145.577%0.76778%0.784SS**  trans-78.3103.7175.251.10000111.1N186 G190N186-T188 PolarHBondContact O-N 3.5Å; T188-G190 PolarHBondContact O-N 2.71Å
189L34Very low31.8Very low171 Ų171144.7 Ų144.790%0.89578%0.784SS**  trans-80.1102.8165.2-83.4164.2000109.2V187V187-L189 PolarHBondContact O-N 2.93Å
190G29.6Very low31.7Very low71 Ų71146.2 Ų146.273%0.73279%0.786SS**  trans-84144.9-169.600000116.1T188T188-G190 PolarHBondContact O-N 2.71Å
191K37.8Very low31.9Very low215 Ų215144.6 Ų144.694%0.93578%0.783SS**  trans-171.6133.5155.7-96.1165.3-174.7-179.50105.4
192G30.8Very low32.1Very low62 Ų62150.6 Ų150.664%0.63979%0.788SS**  cis148.2128.9-1.600000109.5
193N38.5Very low32.3Very low145 Ų145144.6 Ų144.678%0.77578%0.78SS**  trans79.9119.5-167.4-50.4-33.5000113
194Q31.3Very low32.4Very low167 Ų167145.6 Ų145.678%0.7879%0.787SS**  72.4132.258.3-64.7-173.1101.600111.8
195L34.8Very low32.5Very low133 Ų133146.3 Ų146.370%0.69679%0.787SS**  cis-143.6151.830-75.4167000115.5
196N33.5Very low32.7Very low141 Ų141145.5 Ų145.575%0.75479%0.794SS**  trans59.4124141.7-58.41.2000123.5
197D30.1Very low32.8Very low154 Ų154147.5 Ų147.582%0.82480%0.799SS**  trans-60.8162154.4-60.4-85.1000114.1
198T34.7Very low32.9Very low131 Ų131146 Ų14680%0.80481%0.807SS**  trans-164.9128.5134.89.20000114.5
199L32.6Very low32.9Very low151 Ų151145.1 Ų145.179%0.79181%0.806SS**  trans51.7116.5153.9-88.176.8000122.4
200N30.8Very low32.9Very low154 Ų154144.3 Ų144.382%0.82480%0.802SS**  trans-26.1134141.5-73.2-55.1000117
201K34.4Very low33.2Very low198 Ų198147.5 Ų147.586%0.86180%0.802SS**  -172.4134.5129.2-102.8152.7-174.2174.40113.5
202R33.5Very low32.8Very low244 Ų244144.8 Ų144.892%0.92180%0.798SS**  trans-68.2151.5160.8-77.8-178.7169.2178.8-2.1109.5
203P34.7Very low33.1Very low115 Ų115148.3 Ų148.375%0.74781%0.807SS**  -153.6158.786.940.3-21.6000118.7
204S31.5Very low32.8Very low124 Ų124147.9 Ų147.987%0.86781%0.805SS**  trans63.9143.6140.4-64.20000124
205K33.1Very low32.6Very low187 Ų187150 Ų15081%0.81381%0.806SS**  trans-70.6157.5178.8-52.7169.3179.6177.10113.6
206S33.8Very low32.3Very low119 Ų119151 Ų15183%0.83281%0.805SS**  trans-134.8160.4141.4640000109.6
207H30Very low32.1Very low172 Ų172151 Ų15180%0.79681%0.809SS**  trans-103.8147.4-172.8-81.9-111.3000112.6
208G32.9Very low32.1Very low87 Ų87149.4 Ų149.490%0.89781%0.805SS**  trans-147.788.2168.200000110.6
209S29.4Very low32Very low107 Ų107152.2 Ų152.275%0.74881%0.806SS**  trans-102.9132.6-177.2173.30000111.2
210L34.1Very low31.9Very low153 Ų153150.8 Ų150.880%0.80181%0.806SS**  trans-147.8104.7157.2-96.7177.4000112.7
211N35.1Very low31.8Very low139 Ų139151.2 Ų151.274%0.74381%0.808SS**  trans64.7107140.8-61.1-1.6000122.8
212N29.8Very low31.8Very low158 Ų158151.6 Ų151.685%0.84581%0.81SS**  trans-43.3146.4147.5-83.6-44000115.5
213T37.3Very low31.6Very low136 Ų136145 Ų14583%0.83480%0.801SS**  trans-148.598.8138.611.80000112.2
214N31Very low31.5Very low136 Ų136148.5 Ų148.573%0.72780%0.804SS**  trans-59.6130.8176.2159.526000114.1K216N214-K216 PolarHBondContact OD1-N 3.4Å
215W27.2Very low31.5Very low211 Ų211150.9 Ų150.980%0.79980%0.802SS**  trans-142.7102.6155-79104.4000114.7
216K29.5Very low31.3Very low154 Ų154152.9 Ų152.967%0.6781%0.806SS**  trans48.3115.3144.9-68.7-177.8178.1177.60120.7N214N214-K216 PolarHBondContact OD1-N 3.4Å
217V28Very low31.3Very low140 Ų140153.2 Ų153.285%0.84880%0.802SS**  trans-56.4133.3151.6176.40000111
218V30.6Very low31.4Very low122 Ų122152.8 Ų152.874%0.73981%0.805SS**  trans-131.6129.4167.8179.50000108.7
219K32.1Very low31.3Very low189 Ų189153.1 Ų153.182%0.82280%0.8SS**PPolyproline II helixtrans-89.9134.3174.6-65-178.2179-178.70110.7
220P31.3Very low31.4Very low121 Ų121154.5 Ų154.579%0.78680%0.803SS**PPolyproline II helixtrans-102.2157.7153.433-24.1000112
221N29.3Very low31.3Very low163 Ų163152.6 Ų152.687%0.87280%0.803SS**PPolyproline II helixtrans-67.8162-158.4-64.2-39.1000118
222K32.7Very low31.2Very low207 Ų207154.5 Ų154.590%0.981%0.807SS**PPolyproline II helixtrans-60.1129.9164.8-47.9173.4-177.5-179.50110.9
223S29.7Very low31.2Very low105 Ų105158 Ų15873%0.73481%0.809SS**  trans-177.2156.8141.656.30000111
224K33.3Very low31.2Very low188 Ų188156.8 Ų156.882%0.81780%0.803SS**  trans71.2110.6177.2-56.6-171.9179.1-170.60116
225E30.7Very low31.5Very low174 Ų174156.3 Ų156.381%0.81381%0.807SS**  trans-67.8147.6165.8-65.3120.6130.800112
226Y30.2Very low31.9Very low230 Ų230153.7 Ų153.790%0.90281%0.808SS**  trans-93.689.5160.8-91.3-95.1000108.9L228Y226-L228 PolarHBondContact O-N 3.49Å
227V33.9Very low32.1Very low125 Ų125152.5 Ų152.576%0.75882%0.816SS**  trans-69.5123.2162.4177.60000107.6A229V227-A229 VanDerWaalsContact C-N 3.34Å; V227-A229 PolarHBondContact O-N 2.94Å
228L31.4Very low32.3Very low164 Ų164157.1 Ų157.186%0.85982%0.818SS**  trans-71.789.7175.7-77.6167.9000109.7Y226 V230Y226-L228 PolarHBondContact O-N 3.49Å; L228-V230 PolarHBondContact O-N 3.43Å
229A31.3Very low32.3Very low94 Ų94158 Ų15878%0.77782%0.819SS**  trans-61.8109.4178.700000111.2V227 S231V227-A229 VanDerWaalsContact C-N 3.34Å; V227-A229 PolarHBondContact O-N 2.94Å; A229-S231 PolarHBondContact O-N 2.84Å
230V31.3Very low32.4Very low135 Ų135156.5 Ų156.582%0.81882%0.818SS**PPolyproline II helixtrans-62.3120.1167.9176.70000108.1L228 Q232L228-V230 PolarHBondContact O-N 3.43Å; V230-Q232 PolarHBondContact O-N 2.7Å; V230-Q232 VanDerWaalsContact O-N 3.16Å
231S31.7Very low32.3Very low114 Ų114157.2 Ų157.280%0.79781%0.811SS**PPolyproline II helixtrans-60.1117.9-177.3-174.80000111A229 R233A229-S231 PolarHBondContact O-N 2.84Å; S231-R233 PolarHBondContact O-N 2.8Å
232Q32Very low32.4Very low178 Ų178156.4 Ų156.483%0.83281%0.812SS**PPolyproline II helixtrans-63.3133.1176.2-73.2-168.1-0.400110.6V230V230-Q232 PolarHBondContact O-N 2.7Å; V230-Q232 VanDerWaalsContact O-N 3.16Å
233R31.1Very low32.5Very low232 Ų232156.1 Ų156.188%0.87581%0.807SS**PPolyproline II helixtrans-60.8133176.3-162.8-178-164.4-175.17109.5S231S231-R233 PolarHBondContact O-N 2.8Å
234P38Very low32.7Very low110 Ų110158.4 Ų158.471%0.71481%0.811SS**PPolyproline II helixtrans-56.8135.9-178.2-26.534.3000112.2L236P234-L236 PolarHBondContact O-N 3.11Å
235P36.1Very low32.5Very low127 Ų127159.2 Ų159.283%0.82582%0.817SS**PPolyproline II helixtrans-65.7130179.726.3-33.7000110.6
236L36.4Very low32.6Very low155 Ų155153.9 Ų153.981%0.81281%0.809SS**PPolyproline II helixtrans-67.9134.8174.4-75.1168.8000110.1P234 R238P234-L236 PolarHBondContact O-N 3.11Å; L236-R238 PolarHBondContact O-N 2.84Å
237P32.5Very low32.9Very low129 Ų129154.4 Ų154.484%0.83881%0.811SS**  trans-71.197.9-174.928.1-35000111.9
238R31.9Very low32.7Very low238 Ų238159.1 Ų159.190%0.89882%0.817SS**  trans-102.674.6171.7-81.1-169.4169.6-166.70.6112L236L236-R238 PolarHBondContact O-N 2.84Å
239N32.2Very low32.9Very low140 Ų140156.7 Ų156.775%0.74981%0.811SS**  trans-160.494.8152.5-149.6-23.8000114.7
240I33.2Very low33.1Very low158 Ų158157.1 Ų157.181%0.8181%0.808SS**  trans-140.195.7144.7-58.6-174.1000108.7
241Q29.7Very low33Very low136 Ų136160.4 Ų160.464%0.63681%0.806SS**  trans38.4107140.9-58.4175.4-2.600119.2
242T32.3Very low33.1Very low145 Ų145166.1 Ų166.189%0.8981%0.81SS**  trans-122.1145.3134.441.40000108.3
243Y33.8Very low33.1Very low202 Ų202163.4 Ų163.479%0.79280%0.797SS**PPolyproline II helixtrans-90.4163.7-164.9-100.3-104.3000114.3
244N33.5Very low33.3Very low153 Ų153160 Ų16082%0.81879%0.791SS**PPolyproline II helixtrans-57.2161.9-167.3-68.9-18000118
245H30Very low33Very low204 Ų204158.9 Ų158.994%0.94479%0.786SS**PPolyproline II helixtrans-48.2155.9164.9-82.3-43.6000115.5
246G33.3Very low32.9Very low63 Ų63161.6 Ų161.665%0.64979%0.787SS**  trans-172.588.4165.300000115.2
247Y35.4Very low32.9Very low241 Ų241160.4 Ų160.495%0.94579%0.786SS**  trans67.6127.5157.3-63.6-87.3000121.8
248Y29.6Very low32.7Very low224 Ų224161.3 Ų161.388%0.87878%0.784SS**  trans-69176.4159.5-88.2-77.8000111.7
249P36.7Very low32.8Very low112 Ų112159.2 Ų159.273%0.72779%0.785SS**  cis-149.2173.927.644.2-23.3000121.1
250S34.2Very low32.7Very low104 Ų104160.8 Ų160.873%0.72779%0.785SS**  trans75112.2142.8-74.40000124.8
251R30.3Very low32.8Very low203 Ų203161.4 Ų161.477%0.76678%0.784SS**  38116.6129.7-73.7-174.4172.8-108.112.1121.1E253R251-E253 IonicContact NH1-OE1 2.64Å; R251-E253 PolarHBondContact NH1-OE1 3.18Å
252R33.7Very low32.9Very low234 Ų234159.1 Ų159.188%0.88378%0.783SS**  -176.5124.7101.4-92.5171.5-175.3-169.50.9107.5
253E30.5Very low32.8Very low121 Ų121160 Ų16057%0.56578%0.783SS**  cis83.2138.748-155.9-174.8-69.600112.5R251R251-E253 IonicContact NH1-OE1 2.64Å; R251-E253 PolarHBondContact NH1-OE1 3.18Å
254H36.2Very low32.9Very low161 Ų161158.7 Ų158.775%0.74579%0.787SS**  trans79.8149.1-173.7-46.4-0.8000116.7
255S30.9Very low32.8Very low87 Ų87159 Ų15961%0.60879%0.789SS**  cis-179.8131.9-44.450.70000111.3
256H33.7Very low33Very low183 Ų183153 Ų15385%0.84778%0.782SS**  trans62.3160.1171.1-47.9-63.4000115.1
257T36.4Very low32.8Very low130 Ų130154.6 Ų154.680%0.79878%0.784SS**  cis-141.2162.827.850.80000113.8
258N30Very low32.7Very low148 Ų148154.5 Ų154.579%0.79178%0.782SS**  trans-71.3159.3164-65.2-28.7000111.4
259E33Very low32.8Very low194 Ų194149.9 Ų149.991%0.90777%0.768SS**  -167.2168.3122-111.8172.4-165.100113.9
260F30.6Very low32.8Very low174 Ų174147 Ų14776%0.76376%0.759SS**  trans-86.8165.8-169.8-71.1-110.8000113
261H34.7Very low32.7Very low171 Ų171151.4 Ų151.479%0.79277%0.77SS**  176.6109.2109.4-96.8-69.1000116.7
262S32.5Very low32.9Very low87 Ų87145.6 Ų145.661%0.60877%0.773SS**  trans29.5116.3134.957.50000122.7
263N29.5Very low32.7Very low165 Ų165138.3 Ų138.388%0.88277%0.771SS**  28.9123128.8-69.2-20.4000121.1
264I36.4Very low32.8Very low173 Ų173136 Ų13689%0.88778%0.78SS**  trans-130.5132.1150.8-64.4-177.4000110.1
265N31.3Very low32.7Very low160 Ų160135.4 Ų135.486%0.85678%0.782SS**  trans-104.9146.7-179-131.7-32.3000110.5
266G33.2Very low33Very low77 Ų77139 Ų13979%0.79480%0.795SS**  trans-169.175.2-17300000117.5
267S30Very low33.1Very low98 Ų98133.8 Ų133.869%0.68579%0.79SS**  trans-86.1135.5176.6-43.80000113.6
268R34.4Very low33.4Very low239 Ų239132.9 Ų132.990%0.90279%0.786SS**  trans-151.5133.8155-159.8169.1-179.4176.2-0.4112.1
269E31.5Very low33.7Very low126 Ų126135.5 Ų135.559%0.58979%0.791SS**  trans-80.9156.8174.1-63.9-167.9119.400112.1K321E269-K321 VanDerWaalsContact OE1-CE 3.3Å; E269-K321 WeakPolarHBondContact OE1-CE 3.27Å; E269-K321 IonicContact OE1-NZ 3.18Å; E269-K321 PolarHBondContact OE1-NZ 3.48Å; E269-K321 IonicContact OE2-NZ 3.32Å; E269-K321 PolarHBondContact OE2-NZ 3.45Å
270G35.5Very low33.7Very low52 Ų52132.5 Ų132.554%0.53678%0.781SS.*  trans-163.4129.8173.900000111.6R324G270-R324 PolarHBondContact O-NH1 3.15Å
271M32.7Very low33.7Very low196 Ų196134 Ų13497%0.96678%0.784SS**  trans-105.4163.8-170.3-84.7-73.6-159.500113.4
272G33.4Very low33.6Very low81 Ų81136.5 Ų136.584%0.83579%0.786SS**  trans106.2149168.900000114.7
273G31.1Very low33.5Very low81 Ų81138.5 Ų138.584%0.83580%0.795SS**  cis157.3110-10.500000114.4
274G32.6Very low33.7Very low73 Ų73137.9 Ų137.975%0.75379%0.79SS**  trans77.8173176.200000115.1
275N33.5Very low33.4Very low149 Ų149134.9 Ų134.980%0.79778%0.782SS**  cis-168.7178.7-24.5-125.216.6000108.9
276N36.6Very low33.2Very low163 Ų163139.2 Ų139.287%0.87279%0.786SS**  trans76.3146.7177-40.6-31.6000114.2
277G35.7Very low33.2Very low72 Ų72142.4 Ų142.474%0.74279%0.785SS**  cis-159.7172-200000111.9
278P42.5Very low33.4Very low111 Ų111142.4 Ų142.472%0.72179%0.785SS**  trans-116.9169.1-149.141.4-33.9000116.4
279F37.5Very low33.4Very low204 Ų204138.4 Ų138.490%0.89578%0.777SS**  trans-155.8113.7142.3-110.5-71.2000110.9
280D33.5Very low33.5Very low131 Ų131138.2 Ų138.270%0.70179%0.786SS**  trans-94.5156.8173.6-83.7-59.4000111.7
281Y30.6Very low33.2Very low206 Ų206142.9 Ų142.981%0.80879%0.794SS**  trans-157.1142.5139-104.3-70.7000111
282W31.6Very low33.2Very low222 Ų222145 Ų14584%0.84179%0.793SS**  trans8079.5177.5-51.6107.1000118.1
283T31.5Very low33.1Very low130 Ų130150 Ų15080%0.79879%0.792SS**  trans-131.2137.1155.350.60000110.9
284I32.3Very low33.1Very low151 Ų151154.5 Ų154.577%0.77480%0.795SS**  trans-151.5152.3170.6-15.6177.3000107.7
285P29.8Very low32.9Very low111 Ų111162.2 Ų162.272%0.72180%0.801SS**  -117.1161.1-70.936.7-27.2000112.6
286R28.3Very low32.6Very low250 Ų250160.4 Ų160.494%0.94380%0.8SS**  trans-105.8106.4162.9-74.6-172.7177-139.4-0110.1
287N33.5Very low32.3Very low144 Ų144157 Ų15777%0.7779%0.789SS**  trans-117.4114.9163.7-98.57.9000106.4
288S33.3Very low32.1Very low98 Ų98161.8 Ų161.869%0.68579%0.792SS**  94.8121.569.468.90000110.2
289Q34.2Very low31.6Very low156 Ų156163.1 Ų163.173%0.72979%0.793SS**  trans-64.6164.1-177.8-66.2-137.5-28.600113
290P33.9Very low31.4Very low122 Ų122159.2 Ų159.279%0.79278%0.776SS**  -126.8157.4105.136.9-33.1000114.3
291H28.7Very low31.3Very low150 Ų150159.1 Ų159.169%0.69477%0.771SS**  trans-69.6157.6169.3-52.7-80.2000111.6
292Y33.8Very low31.3Very low239 Ų239159.7 Ų159.794%0.93778%0.778SS**  -151.6163116.7-100.2-67.6000110.6
293K29.8Very low31.2Very low188 Ų188159.4 Ų159.482%0.81778%0.778SS**  trans-108.4148.8-179.1-56.8170.2-177.6171.90109.5
294I32.8Very low31.3Very low175 Ų175161.5 Ų161.590%0.89778%0.782SS**  -173.4166.5128.4-96.1153.5000108.7
295R26.9Very low31.2Very low234 Ų234159.8 Ų159.888%0.88378%0.78SS**  trans-98.2141.9-168.5-51.8168.2176.5179.6-3.3112
296S28.5Very low31.1Very low111 Ų111157.6 Ų157.678%0.77678%0.778SS**  175.1145.3119.6420000112.8
297S29.3Very low31.4Very low93 Ų93152.6 Ų152.665%0.6577%0.77SS**  trans15.5127.7155.750.40000122.6
298E31.5Very low31.2Very low172 Ų172154 Ų15480%0.80478%0.776SS**  trans76.4155.3133.9-67.2167-174.100121.1
299N33.2Very low31.2Very low139 Ų139157.4 Ų157.474%0.74378%0.779SS**  trans63.9148.2177.8-64.3-46.4000117
300K31.9Very low31.1Very low122 Ų122157.9 Ų157.953%0.5379%0.786SS.*  cis-160.9166-33.8-129.2176.5178-170.50107.6
301E32.3Very low30.8Very low129 Ų129158.2 Ų158.260%0.60378%0.781SS**  trans31126.4155.7-69.9151-13600121
302F29.7Very low30.8Very low217 Ų217158.4 Ų158.495%0.95278%0.782SS**  -157119.3119-100.6-65.2000109.6
303Y29.5Very low30.8Very low216 Ų216155.3 Ų155.385%0.84777%0.774SS**  trans-124.1135.6179.1-144.2-90.6000108.9
304M33.7Very low30.8Very low175 Ų175151.1 Ų151.186%0.86277%0.768SS**  trans-110.1127.2169.4-75-143.175.100109.9
305P30.6Very low30.7Very low114 Ų114150.9 Ų150.974%0.7477%0.768SS**  trans-83.8156.3-177.633.6-35.3000112.7
306G28.1Very low31Very low66 Ų66145.2 Ų145.268%0.6876%0.761SS**  trans95.590.8160.300000116.7
307N33.6Very low31Very low145 Ų145152 Ų15278%0.77577%0.769SS**  -177.5120.8121.4-97.3-53.9000111.8F309N307-F309 VanDerWaalsContact C-N 3.35Å; N307-F309 HydrophobicContact CB-CD2 4.24Å; N307-F309 HydrophobicContact CB-CE2 4.44Å; N307-F309 PolarHBondContact O-N 2.86Å
308L30.8Very low31.2Very low173 Ų173152.9 Ų152.991%0.90678%0.776SS**  trans-78.479.2172.6-82.6163.4000110.9
309F33Very low31.2Very low169 Ų169156.1 Ų156.174%0.74178%0.781SS**  trans-78.8129.4159.1-86.2-80.4000109.8N307 N311N307-F309 VanDerWaalsContact C-N 3.35Å; N307-F309 HydrophobicContact CB-CD2 4.24Å; N307-F309 HydrophobicContact CB-CE2 4.44Å; N307-F309 PolarHBondContact O-N 2.86Å; F309-N311 PolarHBondContact O-N 2.98Å
310L31.2Very low31.2Very low167 Ų167161.2 Ų161.287%0.87479%0.79SS**  trans-57.4115.8168.5-78.389.3000108.8E312L310-E312 PolarHBondContact O-N 2.78Å
311N28.8Very low31.3Very low128 Ų128162.9 Ų162.968%0.68480%0.797SS**  trans-77109.6177.8-170.4-8.5000108.9F309 K313F309-N311 PolarHBondContact O-N 2.98Å; N311-K313 HydrophobicContact CB-CG 4.42Å; N311-K313 PolarHBondContact O-N 3.34Å
312E28.7Very low31.2Very low154 Ų154159.8 Ų159.872%0.7280%0.799SS**  trans-60.882.5162.6-75.2-176.3141.200107.9L310 S314 R434L310-E312 PolarHBondContact O-N 2.78Å; E312-S314 PolarHBondContact O-N 2.86Å; E312-R434 IonicContact OE1-NH1 2.68Å; E312-R434 PolarHBondContact OE1-NH1 3.33Å; E312-R434 IonicContact OE2-NH1 2.66Å
313K32.7Very low31.4Very low175 Ų175155.5 Ų155.576%0.76178%0.782SS**  trans-67.279.4-178.7-84.4-170.4176.2179.80111.5N311N311-K313 HydrophobicContact CB-CG 4.42Å; N311-K313 PolarHBondContact O-N 3.34Å
314S29.8Very low31.6Very low100 Ų100154.3 Ų154.370%0.69978%0.776SS**  trans41.287.9138.561.10000116.2E312E312-S314 PolarHBondContact O-N 2.86Å
315L31.2Very low31.4Very low170 Ų170152.3 Ų152.389%0.8977%0.769SS**  trans-50.8128.3156.7-78.5167.7000109.3R317L315-R317 PolarHBondContact O-N 3.36Å; L315-R317 VanDerWaalsContact O-N 3.09Å
316P32.2Very low31.6Very low114 Ų114154.3 Ų154.374%0.7478%0.779SS**  trans-68.5113-174.926.1-33.5000110.3S318P316-S318 PolarHBondContact O-N 2.79Å
317R28.8Very low31.8Very low253 Ų253160.4 Ų160.496%0.95578%0.781SS**  trans-7463.5179-163.6-176.2-171.7-1675.4111.5L315L315-R317 PolarHBondContact O-N 3.36Å; L315-R317 VanDerWaalsContact O-N 3.09Å
318S33.8Very low31.8Very low112 Ų112162.3 Ų162.378%0.78379%0.786SS**PPolyproline II helixtrans-67.4160.3-178.3-162.70000112.4P316P316-S318 PolarHBondContact O-N 2.79Å
319R32.7Very low31.9Very low241 Ų241162.2 Ų162.291%0.90978%0.778SS**PPolyproline II helixtrans-80138.7-159.3-67.4171.6172.1168.2-4.1113.2
320R32.1Very low31.8Very low246 Ų246158.8 Ų158.893%0.92878%0.775SS**PPolyproline II helixtrans-53.3136169.5-62.1167.7166.3175-6.8112.9
321K34.2Very low31.9Very low156 Ų156158.3 Ų158.368%0.67877%0.768SS**  -167.9124.6128.2-129.1-165.6179-139.30113.9E269E269-K321 VanDerWaalsContact OE1-CE 3.3Å; E269-K321 WeakPolarHBondContact OE1-CE 3.27Å; E269-K321 IonicContact OE1-NZ 3.18Å; E269-K321 PolarHBondContact OE1-NZ 3.48Å; E269-K321 IonicContact OE2-NZ 3.32Å; E269-K321 PolarHBondContact OE2-NZ 3.45Å
322G30.1Very low32.1Very low64 Ų64156.8 Ų156.866%0.6677%0.773SS**  trans70.3151.617400000114.7
323H35.1Very low32.4Very low128 Ų128157 Ų15759%0.59378%0.777SS**  cis-145.6130-6.7-96.6-96.9000105.5
324R31.8Very low32.6Very low190 Ų190155.8 Ų155.872%0.71778%0.778SS**  40.3109.474.2-80.8-164.4176.4160.9-0.4113.7G270G270-R324 PolarHBondContact O-NH1 3.15Å
325N30.7Very low32.6Very low134 Ų134158.2 Ų158.272%0.71778%0.784SS**  cis-155.1143.45.2-31.7-93.1000111.8
326V34.3Very low32.7Very low155 Ų155153.8 Ų153.894%0.93978%0.779SS**  trans-129.3140.5131.6178.20000105.8
327R33.2Very low32.7Very low194 Ų194153.9 Ų153.973%0.73278%0.782SS**  trans-114.1111.5-167.6172.1175.9175.5179.71.8110.6K329R327-K329 PolarHBondContact O-N 2.89Å
328E33.6Very low33.1Very low186 Ų186146.1 Ų146.187%0.86977%0.767SS**  trans-54133.6155.5-68.9177.8112.400109.1
329K32.9Very low33.2Very low171 Ų171147.8 Ų147.874%0.74377%0.767SS**  trans-14050.5-175.9-156.6-172.1176.5-164.90111.2R327R327-K329 PolarHBondContact O-N 2.89Å
330S31.3Very low33.4Very low97 Ų97143 Ų14368%0.67877%0.765SS**  trans-57.5142.4157.132.90000110.3
331E31.9Very low33.5Very low157 Ų157134.5 Ų134.573%0.73475%0.753SS**  trans4997.6152.2-63176-157.300119.1
332A32.9Very low33.8Very low95 Ų95135.9 Ų135.979%0.78576%0.76SS**  trans-164.4162.513800000111.4
333I35.7Very low34.3Very low159 Ų159140.3 Ų140.382%0.81576%0.763SS**  trans76.179.5168.2-44.3-177.2000115.4
334L35.6Very low34.6Very low149 Ų149138.5 Ų138.578%0.7876%0.764SS**  trans-52.7152.7144.5-80155.6000112.1
335N31.2Very low34.9Very low152 Ų152135.6 Ų135.681%0.81376%0.763SS**  trans67.1147.6160-52.8-27000117.5
336G32.8Very low35.3Very low76 Ų76137.9 Ų137.978%0.78476%0.762SS**  trans138.351.4162.800000118.7
337S32.6Very low35.4Very low116 Ų116139.5 Ų139.581%0.81175%0.751SS**  trans18.2147.5148.5-1550000123
338S36.1Very low35.5Very low91 Ų91140.4 Ų140.464%0.63675%0.754SS**  trans85.6104.4144.370.40000121.8
339N36.1Very low35.7Very low146 Ų146136.5 Ų136.578%0.78175%0.747SS**  92136.5116.8-72.2-11.6000123.5
340T36.8Very low36.1Very low141 Ų141133.6 Ų133.687%0.86575%0.749SS**  trans65.2122.6159.353.70000119.3
341G34Very low36.4Very low67 Ų67138.1 Ų138.169%0.69176%0.756SS**  cis149166.2-2400000116.8
342K40.7Very low37.1Very low186 Ų186135.7 Ų135.781%0.80975%0.754SS**  trans69.7153.2175-38.3179-173172.10113.9
343H41.3Very low37.3Very low157 Ų157136 Ų13673%0.72775%0.751SS**  cis-140147.714.2-104.2-74.5000112.5
344S40.5Very low37.5Very low89 Ų89133.9 Ų133.962%0.62274%0.741SS**  trans38144.8136.6-76.40000121.8
345N40Very low37.8Very low130 Ų130135.1 Ų135.170%0.69574%0.74SS**  cis-169.4169.913.1-99.3-18.6000106.9
346R37.3Very low38.3Very low182 Ų182133.7 Ų133.769%0.68774%0.737SS**  cis-167.3141.62.7-121.7173.4179.9-1741.8108.6
347R36.1Very low38.6Very low189 Ų189136.1 Ų136.171%0.71373%0.732SS**  trans58.9153.9141-69.6175.3177.9-167.8-2.4120.6
348R36.9Very low38.9Very low212 Ų212135.4 Ų135.480%0.873%0.727SS**  cis-169.4161.6-24.4-116.8-178.3-174-168.6-1.5109.7
349S36.2Very low39.1Very low104 Ų104137.3 Ų137.373%0.72773%0.734SS**  trans-3.5149.6155.156.10000120.3
350S41.3Very low39.1Very low110 Ų110134.6 Ų134.677%0.76973%0.727SS**  cis-156.9159.134.142.80000112.3
351K39Very low38.9Very low192 Ų192135.4 Ų135.484%0.83573%0.725SS**  cis75.414546.4-117.1-158.2175.3-170.10114.5
352P45.8Very low39.1Very low107 Ų107137 Ų13770%0.69572%0.721SS**  -141.7-159.2-55.641.5-22.6000114.7
353S38.1Very low39Very low102 Ų102135.9 Ų135.971%0.71372%0.719SS**  trans84.2152168.489.20000117.1
354D40.3Very low38.6Very low114 Ų114137.4 Ų137.461%0.6173%0.727SS**  cis-134.9161.216.2-96.9-78.3000115.9
355K41.8Very low38.4Very low174 Ų174140.7 Ų140.776%0.75773%0.73SS**  trans14.7153.9142.3-62.2166.2-168.2154.80120.4
356V41.3Very low38.1Very low123 Ų123139.9 Ų139.975%0.74573%0.734SS**  -149134.350.2171.20000113.9
357D39.1Very low38.1Very low126 Ų126137.1 Ų137.167%0.67473%0.733SS**  trans24.1120.9145.4-53.5-38.9000121
358S37.8Very low38.4Very low101 Ų101134.5 Ų134.571%0.70674%0.738SS**  88.7143.983.5-63.60000112.8
359T39.7Very low38.5Very low131 Ų131130.4 Ų130.480%0.80474%0.739SS**  cis-164.5173.73.97.90000108.1
360S36.5Very low38.4Very low89 Ų89131.9 Ų131.962%0.62274%0.738SS**  cis-167.5140.10.338.80000111.6
361L33.9Very low38.2Very low158 Ų158129.7 Ų129.783%0.82773%0.727SS**  trans65.8153.9148.9-85.356.8000118.6
362T37.6Very low38.5Very low100 Ų100124.5 Ų124.561%0.61371%0.712SS**  cis-142.5143.213.3-11.70000112.9
363Q39.3Very low38Very low164 Ų164123.5 Ų123.577%0.76670%0.701SS**  trans50110.9149.8-69.7155.81200118.7
364Q32.3Very low38Very low188 Ų188123.1 Ų123.188%0.87970%0.698SS**  57.2133.778-65.6-173.3-14.700113.6
365K35.6Very low38Very low158 Ų158125.5 Ų125.569%0.68771%0.705SS**  cis-150.6141.540.4-171.5179.5178.9-127.50113.4D367K365-D367 WeakPolarHBondContact CD-OD2 3.39Å; K365-D367 WeakPolarHBondContact CE-OD1 3.43Å; K365-D367 WeakPolarHBondContact CE-OD2 3.26Å; K365-D367 IonicContact NZ-OD1 2.6Å; K365-D367 PolarHBondContact NZ-OD1 2.83Å; K365-D367 IonicContact NZ-OD2 2.63Å; K365-D367 PolarHBondContact NZ-OD2 2.84Å
366S33.4Very low37.9Very low113 Ų113123.7 Ų123.779%0.7970%0.698SS**  trans-89.6134.3165.147.60000110.6
367D38.7Very low37.6Very low125 Ų125128.7 Ų128.767%0.66870%0.703SS**  trans-135.8136167.8-77.6-59.6000110.1K365K365-D367 WeakPolarHBondContact CD-OD2 3.39Å; K365-D367 WeakPolarHBondContact CE-OD1 3.43Å; K365-D367 WeakPolarHBondContact CE-OD2 3.26Å; K365-D367 IonicContact NZ-OD1 2.6Å; K365-D367 PolarHBondContact NZ-OD1 2.83Å; K365-D367 IonicContact NZ-OD2 2.63Å; K365-D367 PolarHBondContact NZ-OD2 2.84Å
368V42.5Very low37.5Very low134 Ų134133.4 Ų133.481%0.81271%0.711SS**  trans-84.3144.3-176.6171.90000109.4N370V368-N370 PolarHBondContact O-N 3.24Å
369P37.9Very low37.3Very low126 Ų126132.7 Ų132.782%0.81871%0.707SS**  trans-61.3126-170.523-35.7000113.2
370N34.8Very low37.3Very low134 Ų134132.7 Ų132.772%0.71770%0.698SS**  trans-102.4111.2-179.9-155.12.6000109.4V368 T372V368-N370 PolarHBondContact O-N 3.24Å; N370-T372 PolarHBondContact O-N 2.73Å
371A37.2Very low37.7Very low65 Ų65133.7 Ų133.754%0.53770%0.695SS.*THydrogen-bonded Turntrans-73.511.4-158.300000116.7
372T44.6Very low38.5Very low83 Ų83131 Ų13151%0.50968%0.677SS.*THydrogen-bonded Turntrans-110.74.1-163.8620000115.9N370N370-T372 PolarHBondContact O-N 2.73Å
373D36.5Very low39.3Very low86 Ų86128.1 Ų128.146%0.4666%0.659SS.*SBendtrans-99.6-5.9-169.4-127.842.3000114.7K376D373-K376 IonicContact OD1-NZ 2.61Å; D373-K376 PolarHBondContact OD1-NZ 2.81Å
374S37.5Very low39.9Very low94 Ų94126.5 Ų126.566%0.65765%0.647SS**THydrogen-bonded Turntrans-66.1-35.6174.652.40000112.9
375E39.9Very low41.3Very low163 Ų163121.6 Ų121.676%0.76262%0.623SS**G310 helixtrans-77.7-27.3-179.1-64.3-165.3117.900113.4R377 R378E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 3.33Å; E375-R378 PolarHBondContact O-N 3.26Å
376K39.3Very low42.2Very low137 Ų137125 Ų12560%0.59663%0.631SS**G310 helixtrans-69.2-20.1178.3-69.2-168.9-160133.20114.3D373 R378 S379D373-K376 IonicContact OD1-NZ 2.61Å; D373-K376 PolarHBondContact OD1-NZ 2.81Å; K376-R378 VanDerWaalsContact C-N 3.28Å; K376-R378 PolarHBondContact O-N 2.9Å; K376-S379 PolarHBondContact O-OG 2.78Å
377R36.5Very low43.2Very low228 Ų228124.1 Ų124.186%0.8661%0.613SS**G310 helixtrans-82-0178.4-67.5-165.2176.8-131.4-0.5114.3E375E375-R377 VanDerWaalsContact C-N 3.28Å; E375-R377 PolarHBondContact O-N 3.33Å
378R35.3Very low43.7Very low224 Ų224122 Ų12285%0.84561%0.608SS**G310 helixtrans-92.6-5.9176.4-86.8-177162.5175.1-4.1115.2E375 K376E375-R378 PolarHBondContact O-N 3.26Å; K376-R378 VanDerWaalsContact C-N 3.28Å; K376-R378 PolarHBondContact O-N 2.9Å
379S34.8Very low43.9Very low87 Ų87128.3 Ų128.361%0.60862%0.617SS**SBendtrans-100.3126.6-174.556.70000114.2K376K376-S379 PolarHBondContact O-OG 2.78Å
380E39Very low44.5Very low131 Ų131125.3 Ų125.361%0.61261%0.61SS**  trans70.464.7153.4-51-161.5155.200120.9K382E380-K382 HydrophobicContact CB-CD 4.1Å; E380-K382 HydrophobicContact CB-CG 4.16Å; E380-K382 HydrophobicContact CG-CD 4.32Å; E380-K382 PolarHBondContact O-N 2.79Å; E380-K382 WeakPolarHBondContact OE1-CE 3.25Å; E380-K382 IonicContact OE1-NZ 2.57Å; E380-K382 PolarHBondContact OE1-NZ 3.26Å; E380-K382 WeakPolarHBondContact OE2-CD 3.24Å; E380-K382 WeakPolarHBondContact OE2-CE 3.38Å; E380-K382 IonicContact OE2-NZ 3.31Å; E380-K382 PolarHBondContact OE2-NZ 2.93Å
381L44.6Very low45.1Very low110 Ų110123.7 Ų123.758%0.57661%0.605SS**  trans-75.971.3152.8-117.877.4000111.4V383 I418L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.9Å; L381-I418 HydrophobicContact CD2-CG2 3.7Å
382K50.6Low45.4Very low101 Ų101124.8 Ų124.844%0.43960%0.601SS.*  trans-75.874.1-178.2-87.6172.3173.5168.50112.6E380 Y384E380-K382 HydrophobicContact CB-CD 4.1Å; E380-K382 HydrophobicContact CB-CG 4.16Å; E380-K382 HydrophobicContact CG-CD 4.32Å; E380-K382 PolarHBondContact O-N 2.79Å; E380-K382 WeakPolarHBondContact OE1-CE 3.25Å; E380-K382 IonicContact OE1-NZ 2.57Å; E380-K382 PolarHBondContact OE1-NZ 3.26Å; E380-K382 WeakPolarHBondContact OE2-CD 3.24Å; E380-K382 WeakPolarHBondContact OE2-CE 3.38Å; E380-K382 IonicContact OE2-NZ 3.31Å; E380-K382 PolarHBondContact OE2-NZ 2.93Å; K382-Y384 HydrophobicContact CB-CD2 3.99Å; K382-Y384 HydrophobicContact CB-CE2 3.6Å; K382-Y384 HydrophobicContact CD-CE2 3.77Å; K382-Y384 WeakPolarHBondContact CE-OH 3.47Å; K382-Y384 HydrophobicContact CG-CE2 3.82Å; K382-Y384 PolarHBondContact O-N 3.13Å; K382-Y384 VanDerWaalsContact O-N 3.09Å
383V54.6Low45.4Very low39 Ų39126.5 Ų126.524%0.23662%0.617CS.*  trans-62.7110.2164.6179.80000108.7L381 F385 C414 R415 I418L381-V383 VanDerWaalsContact C-N 3.33Å; L381-V383 PolarHBondContact O-N 2.9Å; V383-F385 HydrophobicContact CG1-CZ 4.4Å; V383-C414 HydrophobicContact CG1-CB 4.48Å; V383-R415 HydrophobicContact CB-CG 4.15Å; V383-R415 VanDerWaalsContact O-CZ 3.31Å; V383-R415 PolarHBondContact O-NE 3.17Å; V383-R415 PolarHBondContact O-NH2 2.93Å; V383-I418 HydrophobicContact CG2-CD1 3.61Å
384Y52.7Low46Very low131 Ų131126 Ų12651%0.51461%0.614SS.*  trans-124125.4170.6-65-69000109.5K382 R386 R415K382-Y384 HydrophobicContact CB-CD2 3.99Å; K382-Y384 HydrophobicContact CB-CE2 3.6Å; K382-Y384 HydrophobicContact CD-CE2 3.77Å; K382-Y384 WeakPolarHBondContact CE-OH 3.47Å; K382-Y384 HydrophobicContact CG-CE2 3.82Å; K382-Y384 PolarHBondContact O-N 3.13Å; K382-Y384 VanDerWaalsContact O-N 3.09Å; Y384-R386 PolarHBondContact O-N 3.35Å; Y384-R415 VanDerWaalsContact CD1-NH2 3.28Å
385F60.8Low46.6Very low84 Ų84127.2 Ų127.237%0.36862%0.62SS.*  trans-80.3109.8160.5-56.4-61.3000107.7V383 L407 L410 Q411V383-F385 HydrophobicContact CG1-CZ 4.4Å; F385-L407 HydrophobicContact CB-CD1 3.83Å; F385-L407 HydrophobicContact CB-CD2 4.41Å; F385-L407 HydrophobicContact CB-CG 4.33Å; F385-L407 HydrophobicContact CD2-CD1 3.98Å; F385-L407 HydrophobicContact CD2-CG 4.43Å; F385-L407 HydrophobicContact CG-CD1 4.23Å; F385-L410 HydrophobicContact CD2-CD2 4.27Å; F385-L410 HydrophobicContact CE2-CB 4.34Å; F385-L410 HydrophobicContact CE2-CD2 3.72Å; F385-L410 HydrophobicContact CE2-CG 3.74Å; F385-L410 HydrophobicContact CZ-CD2 4.16Å; F385-L410 HydrophobicContact CZ-CG 4.32Å; F385-Q411 HydrophobicContact CD2-CG 3.43Å; F385-Q411 VanDerWaalsContact CD2-CG 3.43Å; F385-Q411 HydrophobicContact CE2-CG 3.8Å; F385-Q411 HydrophobicContact CG-CG 4.39Å; F385-Q411 VanDerWaalsContact N-NE2 3.19Å; F385-Q411 PolarHBondContact O-NE2 3.37Å
386R56.1Low47Very low230 Ų230128.5 Ų128.587%0.86862%0.623SS**PPolyproline II helixtrans-91119.8166.3-75-173.7169.1-152.9-2.1108Y384 S388Y384-R386 PolarHBondContact O-N 3.35Å; R386-S388 PolarHBondContact O-N 3.35Å
387F54.3Low47.5Very low95 Ų95126.3 Ų126.342%0.41762%0.621SS.*PPolyproline II helixtrans-68.7121.7163.6-83.6-76.4000109.1R389 F398 Y400 L407F387-R389 PolarHBondContact O-N 3.1Å; F387-F398 HydrophobicContact CZ-CE1 4.31Å; F387-Y400 HydrophobicContact CD2-CE2 4.36Å; F387-L407 HydrophobicContact CD2-CD2 4.07Å; F387-L407 HydrophobicContact CE2-CD1 3.84Å; F387-L407 HydrophobicContact CE2-CD2 3.81Å; F387-L407 HydrophobicContact CE2-CG 4.37Å; F387-L407 HydrophobicContact CZ-CD1 4.35Å
388S47.3Very low48.2Very low80 Ų80120.7 Ų120.756%0.55960%0.603SS**PPolyproline II helixtrans-62.6123.9171.9-64.20000109.4R386 G390 T391R386-S388 PolarHBondContact O-N 3.35Å; S388-G390 PolarHBondContact O-N 3.41Å; S388-T391 PolarHBondContact O-N 2.81Å; S388-T391 PolarHBondContact O-OG1 3.43Å
389R48.5Very low49.4Very low266 Ų266113.4 Ų113.4100%1.00458%0.581SS**THydrogen-bonded Turntrans-72.923.4-171.8-150.3180-171.6168.62114.5F387F387-R389 PolarHBondContact O-N 3.1Å
390G50.4Low50.5Low64 Ų64115.4 Ų115.466%0.6658%0.576SS**THydrogen-bonded Turntrans-144.66.2-176.200000114.7S388S388-G390 PolarHBondContact O-N 3.41Å
391T47.6Very low51.5Low100 Ų100115.9 Ų115.961%0.61358%0.582SS**SBendtrans-102.31817559.20000112.9S388S388-T391 PolarHBondContact O-N 2.81Å; S388-T391 PolarHBondContact O-OG1 3.43Å
392L41.8Very low52.5Low87 Ų87117.8 Ų117.846%0.45559%0.586SS.*  trans-139.571.6178.2-70.7174.9000108.9F398L392-F398 HydrophobicContact CD2-CB 3.76Å
393S45.6Very low53.3Low120 Ų120115.2 Ų115.284%0.83958%0.577SS**  trans-94.73.2173.156.70000113.2
394D49.2Very low54.1Low76 Ų76118.6 Ų118.641%0.40659%0.588SS.*  trans-108.6116.7-176178.614.7000110.4F396 T397D394-F396 PolarHBondContact O-N 2.83Å; D394-F396 PolarHBondContact OD1-N 3.09Å; D394-T397 VanDerWaalsContact CG-OG1 3.27Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-OG1 2.99Å
395P49.4Very low55.1Low119 Ų119117.1 Ų117.177%0.77359%0.586SS**THydrogen-bonded Turntrans-67-12-174.4-23.334.6000116.2
396F47.6Very low56Low189 Ų189118.3 Ų118.383%0.82960%0.596SS**THydrogen-bonded Turntrans-109-13-164.3-72.2-82.2000116D394D394-F396 PolarHBondContact O-N 2.83Å; D394-F396 PolarHBondContact OD1-N 3.09Å
397T51.5Low57Low91 Ų91109 Ų10956%0.55856%0.563SS**SBendtrans-115.5-13.1-156.346.30000117.8D394D394-T397 VanDerWaalsContact CG-OG1 3.27Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.2Å; D394-T397 PolarHBondContact OD2-OG1 2.99Å
398F50.8Low58.1Low110 Ų110108.3 Ų108.348%0.48256%0.563SS.*  trans-148.6106.5176.3-140.6-105.1000114.9F387 L392 Y400 N403F387-F398 HydrophobicContact CZ-CE1 4.31Å; L392-F398 HydrophobicContact CD2-CB 3.76Å; F398-Y400 PolarHBondContact O-N 2.86Å; F398-Y400 VanDerWaalsContact O-N 3.13Å; F398-N403 HydrophobicContact CE1-CB 4.16Å; F398-N403 WeakPolarHBondContact CE1-ND2 3.22Å; F398-N403 WeakPolarHBondContact CZ-ND2 3.34Å
399D59.4Low59.6Low71 Ų71109.6 Ų109.638%0.3856%0.56SS.*  trans-83.492.1-173.2-161.8-20.5000112.1L401 K402 N403D399-L401 PolarHBondContact O-N 3.41Å; D399-L401 VanDerWaalsContact O-N 3.16Å; D399-K402 HydrophobicContact CB-CB 4.29Å; D399-K402 HydrophobicContact CB-CD 4.07Å; D399-K402 HydrophobicContact CB-CG 4.27Å; D399-K402 PolarHBondContact O-N 3.28Å; D399-K402 VanDerWaalsContact O-N 3.14Å; D399-K402 VanDerWaalsContact OD2-CD 3.27Å; D399-K402 WeakPolarHBondContact OD2-CD 3.33Å; D399-K402 WeakPolarHBondContact OD2-CE 3.26Å; D399-K402 IonicContact OD2-NZ 2.8Å; D399-K402 PolarHBondContact OD2-NZ 3.15Å; D399-N403 PolarHBondContact O-N 2.81Å; D399-N403 VanDerWaalsContact O-N 3.07Å
400Y58Low61.1Low129 Ų129100.9 Ų100.951%0.50653%0.533SS..Hα-helixtrans-53.5-35-176173.8-99.6000113.6F387 F398 K404F387-Y400 HydrophobicContact CD2-CE2 4.36Å; F398-Y400 PolarHBondContact O-N 2.86Å; F398-Y400 VanDerWaalsContact O-N 3.13Å; Y400-K404 WeakPolarHBondContact O-CB 3.15Å; Y400-K404 PolarHBondContact O-N 3.18Å
401L60.4Low62.6Low142 Ų14299 Ų9974%0.74351%0.507SS*.Hα-helixtrans-71.2-39.1-178.9-81.683.2000111.9D399D399-L401 PolarHBondContact O-N 3.41Å; D399-L401 VanDerWaalsContact O-N 3.16Å
402K66.6Low64.1Low150 Ų15097.1 Ų97.165%0.65250%0.501SS*.Hα-helixtrans-67.8-42.6175-66.2179.5-178.4131.60111.3D399 K404D399-K402 HydrophobicContact CB-CB 4.29Å; D399-K402 HydrophobicContact CB-CD 4.07Å; D399-K402 HydrophobicContact CB-CG 4.27Å; D399-K402 PolarHBondContact O-N 3.28Å; D399-K402 VanDerWaalsContact O-N 3.14Å; D399-K402 VanDerWaalsContact OD2-CD 3.27Å; D399-K402 WeakPolarHBondContact OD2-CD 3.33Å; D399-K402 WeakPolarHBondContact OD2-CE 3.26Å; D399-K402 IonicContact OD2-NZ 2.8Å; D399-K402 PolarHBondContact OD2-NZ 3.15Å; K402-K404 PolarHBondContact O-N 3.06Å
403N66.8Low65.9Low46 Ų46102.2 Ų102.225%0.24651%0.514CS..Hα-helixtrans-84.3-6.7-173.9-67.8-17.5000114.4F398 D399 E405 L406 L407F398-N403 HydrophobicContact CE1-CB 4.16Å; F398-N403 WeakPolarHBondContact CE1-ND2 3.22Å; F398-N403 WeakPolarHBondContact CZ-ND2 3.34Å; D399-N403 PolarHBondContact O-N 2.81Å; D399-N403 VanDerWaalsContact O-N 3.07Å; N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.92Å; N403-L406 PolarHBondContact O-N 2.91Å; N403-L407 PolarHBondContact O-N 3.13Å
404K71.2Confident67.6Low111 Ų11198.3 Ų98.348%0.48349%0.487SS..Hα-helixtrans-57.4-43.8175.5-179.2-175.1173.7-168.20112.7Y400 K402 L407 I408Y400-K404 WeakPolarHBondContact O-CB 3.15Å; Y400-K404 PolarHBondContact O-N 3.18Å; K402-K404 PolarHBondContact O-N 3.06Å; K404-L407 WeakPolarHBondContact O-CB 3.39Å; K404-L407 PolarHBondContact O-N 2.8Å; K404-I408 HydrophobicContact CG-CD1 4.1Å; K404-I408 WeakPolarHBondContact O-CG1 3.33Å; K404-I408 PolarHBondContact O-N 3.24Å
405E74.5Confident68.9Low100 Ų10099 Ų9947%0.46748%0.483SS..Hα-helixtrans-70.1-44.4-177.1-176.651.8-145.200111.3N403 L407 I408 Q409N403-E405 VanDerWaalsContact C-N 3.34Å; N403-E405 PolarHBondContact O-N 2.92Å; E405-L407 VanDerWaalsContact C-N 3.27Å; E405-L407 PolarHBondContact O-N 2.79Å; E405-I408 PolarHBondContact O-N 3.15Å; E405-I408 VanDerWaalsContact O-N 3.1Å; E405-Q409 WeakPolarHBondContact O-CG 3.48Å; E405-Q409 PolarHBondContact O-N 2.92Å; E405-Q409 PolarHBondContact OE1-NE2 3.49Å
406L78.1Confident70.4Confident109 Ų10994.2 Ų94.257%0.57146%0.456SS*.Hα-helixtrans-54.8-40.7170.1-79.2152.5000112.3N403 Q409 L410N403-L406 PolarHBondContact O-N 2.91Å; L406-Q409 PolarHBondContact O-N 2.83Å; L406-L410 WeakPolarHBondContact O-CB 3.23Å; L406-L410 PolarHBondContact O-N 2.83Å
407L77.1Confident72.2Confident33 Ų3393.3 Ų93.317%0.17345%0.448CS..Hα-helixtrans-66.2-40.7176.3-163.978.3000112.4F385 F387 N403 K404 E405 L410 Q411F385-L407 HydrophobicContact CB-CD1 3.83Å; F385-L407 HydrophobicContact CB-CD2 4.41Å; F385-L407 HydrophobicContact CB-CG 4.33Å; F385-L407 HydrophobicContact CD2-CD1 3.98Å; F385-L407 HydrophobicContact CD2-CG 4.43Å; F385-L407 HydrophobicContact CG-CD1 4.23Å; F387-L407 HydrophobicContact CD2-CD2 4.07Å; F387-L407 HydrophobicContact CE2-CD1 3.84Å; F387-L407 HydrophobicContact CE2-CD2 3.81Å; F387-L407 HydrophobicContact CE2-CG 4.37Å; F387-L407 HydrophobicContact CZ-CD1 4.35Å; N403-L407 PolarHBondContact O-N 3.13Å; K404-L407 WeakPolarHBondContact O-CB 3.39Å; K404-L407 PolarHBondContact O-N 2.8Å; E405-L407 VanDerWaalsContact C-N 3.27Å; E405-L407 PolarHBondContact O-N 2.79Å; L407-L410 PolarHBondContact O-N 3.24Å; L407-Q411 WeakPolarHBondContact O-CG 3.37Å; L407-Q411 PolarHBondContact O-N 2.9Å
408I77.8Confident73.6Confident81 Ų8190.9 Ų90.942%0.41543%0.431SS..Hα-helixtrans-65-45177-70.1165.5000110K404 E405 L410 Q411 A412K404-I408 HydrophobicContact CG-CD1 4.1Å; K404-I408 WeakPolarHBondContact O-CG1 3.33Å; K404-I408 PolarHBondContact O-N 3.24Å; E405-I408 PolarHBondContact O-N 3.15Å; E405-I408 VanDerWaalsContact O-N 3.1Å; I408-L410 PolarHBondContact O-N 3.39Å; I408-Q411 PolarHBondContact O-N 2.95Å; I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.15Å
409Q79.1Confident74.9Confident108 Ų10890.2 Ų90.251%0.50544%0.436SS..Hα-helixtrans-63.1-39176-68.3177.217.300112.1E405 L406 A412 R413E405-Q409 WeakPolarHBondContact O-CG 3.48Å; E405-Q409 PolarHBondContact O-N 2.92Å; E405-Q409 PolarHBondContact OE1-NE2 3.49Å; L406-Q409 PolarHBondContact O-N 2.83Å; Q409-A412 PolarHBondContact O-N 3.35Å; Q409-R413 WeakPolarHBondContact O-CB 3.47Å; Q409-R413 PolarHBondContact O-N 2.92Å
410L80.9Confident76Confident83 Ų8394.2 Ų94.244%0.43545%0.445SS..Hα-helixtrans-65.3-45.8173.6-172.765.1000111.7F385 L406 L407 I408 A412 R413 C414F385-L410 HydrophobicContact CD2-CD2 4.27Å; F385-L410 HydrophobicContact CE2-CB 4.34Å; F385-L410 HydrophobicContact CE2-CD2 3.72Å; F385-L410 HydrophobicContact CE2-CG 3.74Å; F385-L410 HydrophobicContact CZ-CD2 4.16Å; F385-L410 HydrophobicContact CZ-CG 4.32Å; L406-L410 WeakPolarHBondContact O-CB 3.23Å; L406-L410 PolarHBondContact O-N 2.83Å; L407-L410 PolarHBondContact O-N 3.24Å; I408-L410 PolarHBondContact O-N 3.39Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.03Å; L410-R413 PolarHBondContact O-N 2.71Å; L410-C414 WeakPolarHBondContact O-CB 3.26Å; L410-C414 PolarHBondContact O-N 3.35Å; L410-C414 PolarHBondContact O-SG 3.48Å
411Q81.1Confident77.2Confident25 Ų2590.1 Ų90.112%0.11744%0.436CS..Hα-helixtrans-59.7-41.5174.8-71.6-176.329.900111.6F385 L407 I408 R415F385-Q411 HydrophobicContact CD2-CG 3.43Å; F385-Q411 VanDerWaalsContact CD2-CG 3.43Å; F385-Q411 HydrophobicContact CE2-CG 3.8Å; F385-Q411 HydrophobicContact CG-CG 4.39Å; F385-Q411 VanDerWaalsContact N-NE2 3.19Å; F385-Q411 PolarHBondContact O-NE2 3.37Å; L407-Q411 WeakPolarHBondContact O-CG 3.37Å; L407-Q411 PolarHBondContact O-N 2.9Å; I408-Q411 PolarHBondContact O-N 2.95Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.47Å; Q411-R415 PolarHBondContact O-N 2.95Å
412A78.3Confident78.1Confident59 Ų5988.9 Ų88.949%0.48842%0.424SS..Hα-helixtrans-64.5-43.8175.200000112.1I408 Q409 L410 G416I408-A412 WeakPolarHBondContact O-CB 3.29Å; I408-A412 PolarHBondContact O-N 3.15Å; Q409-A412 PolarHBondContact O-N 3.35Å; L410-A412 VanDerWaalsContact C-N 3.31Å; L410-A412 PolarHBondContact O-N 3.03Å; A412-G416 PolarHBondContact O-N 3.26Å
413R80.8Confident78.8Confident195 Ų19584 Ų8474%0.73641%0.409SS*.Hα-helixtrans-63.9-43.8177.9-170174.9-178.5-179.6-0111.8Q409 L410 W417Q409-R413 WeakPolarHBondContact O-CB 3.47Å; Q409-R413 PolarHBondContact O-N 2.92Å; L410-R413 PolarHBondContact O-N 2.71Å; R413-W417 WeakPolarHBondContact O-CB 3.44Å; R413-W417 PolarHBondContact O-N 2.83Å
414C80.2Confident79.7Confident38 Ų3884.8 Ų84.826%0.25742%0.419SS..Hα-helixtrans-64.8-49.2175.8-67.60000111.9V383 L410 G416 W417 I418V383-C414 HydrophobicContact CG1-CB 4.48Å; L410-C414 WeakPolarHBondContact O-CB 3.26Å; L410-C414 PolarHBondContact O-N 3.35Å; L410-C414 PolarHBondContact O-SG 3.48Å; C414-G416 VanDerWaalsContact C-N 3.33Å; C414-G416 PolarHBondContact O-N 3.15Å; C414-W417 PolarHBondContact O-N 3.46Å; C414-I418 WeakPolarHBondContact O-CG1 3.15Å; C414-I418 PolarHBondContact O-N 2.83Å
415R78.3Confident80.2Confident89 Ų8982.9 Ų82.934%0.33641%0.413SS..Hα-helixtrans-59.6-44.4176.3-70.7171-171.2179.65.3111.3V383 Y384 Q411 W417 I418 T419V383-R415 HydrophobicContact CB-CG 4.15Å; V383-R415 VanDerWaalsContact O-CZ 3.31Å; V383-R415 PolarHBondContact O-NE 3.17Å; V383-R415 PolarHBondContact O-NH2 2.93Å; Y384-R415 VanDerWaalsContact CD1-NH2 3.28Å; Q411-R415 WeakPolarHBondContact O-CB 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.47Å; Q411-R415 PolarHBondContact O-N 2.95Å; R415-W417 PolarHBondContact O-N 3.09Å; R415-I418 PolarHBondContact O-N 2.7Å; R415-T419 WeakPolarHBondContact O-CB 3.28Å; R415-T419 PolarHBondContact O-N 3.45Å; R415-T419 PolarHBondContact O-OG1 3.32Å
416G80.9Confident80.7Confident20 Ų2082.9 Ų82.921%0.20641%0.414CS..Hα-helixtrans-64.3-35.3176.100000113.7A412 C414 R420A412-G416 PolarHBondContact O-N 3.26Å; C414-G416 VanDerWaalsContact C-N 3.33Å; C414-G416 PolarHBondContact O-N 3.15Å; G416-R420 WeakPolarHBondContact O-CB 3.38Å; G416-R420 WeakPolarHBondContact O-CG 3.18Å; G416-R420 VanDerWaalsContact O-CZ 3.31Å; G416-R420 PolarHBondContact O-N 2.87Å; G416-R420 PolarHBondContact O-NH1 3.23Å
417W84.6Confident81Confident170 Ų17085.4 Ų85.464%0.64442%0.415SS*.Hα-helixtrans-67.7-46.8173.7-178.887.2000111.5R413 C414 R415 T419 R420 S421R413-W417 WeakPolarHBondContact O-CB 3.44Å; R413-W417 PolarHBondContact O-N 2.83Å; C414-W417 PolarHBondContact O-N 3.46Å; R415-W417 PolarHBondContact O-N 3.09Å; W417-T419 VanDerWaalsContact C-N 3.33Å; W417-T419 PolarHBondContact O-N 2.77Å; W417-R420 CarbonylContact O-C 3.54Å; W417-R420 PolarHBondContact O-N 3.18Å; W417-R420 VanDerWaalsContact O-N 3.12Å; W417-S421 PolarHBondContact O-N 3.37Å
418I79.9Confident81.3Confident40 Ų4087.9 Ų87.921%0.20543%0.432CS..Hα-helixtrans-59.4-43.5175.5-66.2169.2000111.2L381 V383 C414 R415 R420 S421 K422L381-I418 HydrophobicContact CD2-CG2 3.7Å; V383-I418 HydrophobicContact CG2-CD1 3.61Å; C414-I418 WeakPolarHBondContact O-CG1 3.15Å; C414-I418 PolarHBondContact O-N 2.83Å; R415-I418 PolarHBondContact O-N 2.7Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.25Å; I418-S421 PolarHBondContact O-N 2.92Å; I418-K422 HydrophobicContact CG2-CD 4.45Å; I418-K422 PolarHBondContact O-N 3.29Å
419T78.5Confident81.6Confident96 Ų9690 Ų9059%0.58944%0.44SS*.Hα-helixtrans-63.9-37.3176.6-57.50000111.9R415 W417 S423R415-T419 WeakPolarHBondContact O-CB 3.28Å; R415-T419 PolarHBondContact O-N 3.45Å; R415-T419 PolarHBondContact O-OG1 3.32Å; W417-T419 VanDerWaalsContact C-N 3.33Å; W417-T419 PolarHBondContact O-N 2.77Å; T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.29Å; T419-S423 PolarHBondContact O-N 2.97Å
420R83.3Confident81.9Confident154 Ų15489 Ų8958%0.58144%0.435SS*.Hα-helixtrans-70.1-38174-76.5-173.9-60.1-88.6-1.3112.8G416 W417 I418 S423 S424G416-R420 WeakPolarHBondContact O-CB 3.38Å; G416-R420 WeakPolarHBondContact O-CG 3.18Å; G416-R420 VanDerWaalsContact O-CZ 3.31Å; G416-R420 PolarHBondContact O-N 2.87Å; G416-R420 PolarHBondContact O-NH1 3.23Å; W417-R420 CarbonylContact O-C 3.54Å; W417-R420 PolarHBondContact O-N 3.18Å; W417-R420 VanDerWaalsContact O-N 3.12Å; I418-R420 VanDerWaalsContact C-N 3.33Å; I418-R420 PolarHBondContact O-N 3.25Å; R420-S423 PolarHBondContact O-N 3.21Å; R420-S424 WeakPolarHBondContact O-CB 3.38Å; R420-S424 PolarHBondContact O-N 3.07Å
421S82.5Confident82Confident44 Ų4491.7 Ų91.731%0.30844%0.444SS..Hα-helixtrans-58.3-59.5171.9-168.40000109.5W417 I418 S423 S424 D425W417-S421 PolarHBondContact O-N 3.37Å; I418-S421 PolarHBondContact O-N 2.92Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S421-S424 CarbonylContact O-C 3.55Å; S421-S424 VanDerWaalsContact O-CA 3.29Å; S421-S424 WeakPolarHBondContact O-CA 3.27Å; S421-S424 VanDerWaalsContact O-CB 3.22Å; S421-S424 WeakPolarHBondContact O-CB 3.35Å; S421-S424 PolarHBondContact O-N 2.89Å; S421-D425 PolarHBondContact O-N 3.43Å; S421-D425 PolarHBondContact OG-OD2 2.91Å
422K79.5Confident82.2Confident115 Ų11592.9 Ų92.950%0.546%0.458SS..Hα-helixtrans-58.4-32.3179.9-67.9-169.4175.6-162.20113.5I418 D425 Q426I418-K422 HydrophobicContact CG2-CD 4.45Å; I418-K422 PolarHBondContact O-N 3.29Å; K422-D425 WeakPolarHBondContact CA-OD2 3.48Å; K422-D425 PolarHBondContact N-OD2 3.31Å; K422-Q426 VanDerWaalsContact O-CB 3.25Å; K422-Q426 WeakPolarHBondContact O-CB 3.28Å; K422-Q426 PolarHBondContact O-N 2.75Å
423S81.5Confident82.6Confident47 Ų4793.6 Ų93.633%0.32946%0.456SS..Hα-helixtrans-75.5-20.6172.7-179.10000113.8T419 R420 S421 R427T419-S423 VanDerWaalsContact O-CB 3.24Å; T419-S423 WeakPolarHBondContact O-CB 3.29Å; T419-S423 PolarHBondContact O-N 2.97Å; R420-S423 PolarHBondContact O-N 3.21Å; S421-S423 PolarHBondContact O-N 3.38Å; S421-S423 VanDerWaalsContact O-N 3.11Å; S423-R427 WeakPolarHBondContact O-CD 3.43Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å
424S85.2Confident82.8Confident64 Ų6489.6 Ų89.645%0.44844%0.441SS..Hα-helixtrans-79.5-45.5169.4-168.10000110.2R420 S421 R427 T428R420-S424 WeakPolarHBondContact O-CB 3.38Å; R420-S424 PolarHBondContact O-N 3.07Å; S421-S424 CarbonylContact O-C 3.55Å; S421-S424 VanDerWaalsContact O-CA 3.29Å; S421-S424 WeakPolarHBondContact O-CA 3.27Å; S421-S424 VanDerWaalsContact O-CB 3.22Å; S421-S424 WeakPolarHBondContact O-CB 3.35Å; S421-S424 PolarHBondContact O-N 2.89Å; S424-R427 CarbonylContact O-C 3.56Å; S424-R427 WeakPolarHBondContact O-CA 3.42Å; S424-R427 WeakPolarHBondContact O-CB 3.46Å; S424-R427 PolarHBondContact O-N 2.99Å; S424-T428 PolarHBondContact O-N 3.4Å; S424-T428 PolarHBondContact O-OG1 2.89Å
425D83Confident82.9Confident70 Ų7091 Ų9137%0.37445%0.45SS..Hα-helixtrans-59.9-47.4177.7-49.3-33.6000110.2S421 K422 R427 T428 E429S421-D425 PolarHBondContact O-N 3.43Å; S421-D425 PolarHBondContact OG-OD2 2.91Å; K422-D425 WeakPolarHBondContact CA-OD2 3.48Å; K422-D425 PolarHBondContact N-OD2 3.31Å; D425-R427 PolarHBondContact O-N 2.9Å; D425-T428 PolarHBondContact O-N 3.38Å; D425-T428 VanDerWaalsContact O-N 3.13Å; D425-T428 PolarHBondContact O-OG1 3.42Å; D425-E429 WeakPolarHBondContact O-CG 3.36Å; D425-E429 PolarHBondContact O-N 3.49Å
426Q83.7Confident83.1Confident101 Ų10192.2 Ų92.247%0.47246%0.462SS..Hα-helixtrans-63.2-27.6174-170.3173.55.700112.9K422 E430K422-Q426 VanDerWaalsContact O-CB 3.25Å; K422-Q426 WeakPolarHBondContact O-CB 3.28Å; K422-Q426 PolarHBondContact O-N 2.75Å; Q426-E430 WeakPolarHBondContact O-CB 3.25Å; Q426-E430 WeakPolarHBondContact O-CG 3.32Å; Q426-E430 PolarHBondContact O-N 3.05Å
427R84Confident83.2Confident161 Ų16196.9 Ų96.961%0.60848%0.479SS*.Hα-helixtrans-78.5-29.5174.9-76.5169.9-175.2-176.3-0112.8S423 S424 D425 K431S423-R427 WeakPolarHBondContact O-CD 3.43Å; S423-R427 WeakPolarHBondContact O-CG 3.37Å; S424-R427 CarbonylContact O-C 3.56Å; S424-R427 WeakPolarHBondContact O-CA 3.42Å; S424-R427 WeakPolarHBondContact O-CB 3.46Å; S424-R427 PolarHBondContact O-N 2.99Å; D425-R427 PolarHBondContact O-N 2.9Å; R427-K431 WeakPolarHBondContact O-CB 3.5Å; R427-K431 VanDerWaalsContact O-CG 3.26Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.28Å; R427-K431 VanDerWaalsContact O-N 3.12Å
428T84.3Confident83.2Confident85 Ų8595.6 Ų95.652%0.52148%0.478SS..Hα-helixtrans-75.5-38.1171.450.50000110.5S424 D425 K431 A432S424-T428 PolarHBondContact O-N 3.4Å; S424-T428 PolarHBondContact O-OG1 2.89Å; D425-T428 PolarHBondContact O-N 3.38Å; D425-T428 VanDerWaalsContact O-N 3.13Å; D425-T428 PolarHBondContact O-OG1 3.42Å; T428-K431 PolarHBondContact O-N 3.4Å; T428-A432 WeakPolarHBondContact O-CB 3.46Å; T428-A432 PolarHBondContact O-N 2.97Å
429E84.1Confident83.2Confident126 Ų12697.8 Ų97.859%0.58949%0.49SS*.Hα-helixtrans-57.8-51.8168.2-71.7174176.300111.8D425 K431 A432 V433D425-E429 WeakPolarHBondContact O-CG 3.36Å; D425-E429 PolarHBondContact O-N 3.49Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.17Å; E429-A432 PolarHBondContact O-N 3Å; E429-A432 VanDerWaalsContact O-N 3.14Å; E429-V433 WeakPolarHBondContact O-CG2 3.21Å; E429-V433 PolarHBondContact O-N 3.42Å
430E84.5Confident83.2Confident86 Ų8695.2 Ų95.240%0.40248%0.478SS..Hα-helixtrans-58.5-37.8176.1-85.7-174.6-145.500113Q426 R434Q426-E430 WeakPolarHBondContact O-CB 3.25Å; Q426-E430 WeakPolarHBondContact O-CG 3.32Å; Q426-E430 PolarHBondContact O-N 3.05Å; E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 WeakPolarHBondContact O-CG 3.37Å; E430-R434 PolarHBondContact O-N 3.46Å; E430-R434 IonicContact OE2-CZ 2.77Å; E430-R434 IonicContact OE2-NH2 2.96Å; E430-R434 PolarHBondContact OE2-NH2 3.08Å
431K84.5Confident83.1Confident141 Ų14192 Ų9261%0.61348%0.479SS*.Hα-helixtrans-69.7-39.8175.5-79.8177.6175.7-172.50111.8R427 T428 E429 R434 C435R427-K431 WeakPolarHBondContact O-CB 3.5Å; R427-K431 VanDerWaalsContact O-CG 3.26Å; R427-K431 WeakPolarHBondContact O-CG 3.49Å; R427-K431 PolarHBondContact O-N 3.28Å; R427-K431 VanDerWaalsContact O-N 3.12Å; T428-K431 PolarHBondContact O-N 3.4Å; E429-K431 VanDerWaalsContact C-N 3.29Å; E429-K431 PolarHBondContact O-N 3.17Å; K431-R434 PolarHBondContact O-N 2.9Å; K431-C435 VanDerWaalsContact O-CB 3.26Å; K431-C435 WeakPolarHBondContact O-CB 3.29Å; K431-C435 PolarHBondContact O-N 2.98Å
432A85.2Confident82.9Confident49 Ų4992.9 Ų92.941%0.40548%0.48SS..Hα-helixtrans-64-45.617500000110.8T428 E429 C435 I436T428-A432 WeakPolarHBondContact O-CB 3.46Å; T428-A432 PolarHBondContact O-N 2.97Å; E429-A432 PolarHBondContact O-N 3Å; E429-A432 VanDerWaalsContact O-N 3.14Å; A432-C435 WeakPolarHBondContact O-CB 3.28Å; A432-C435 PolarHBondContact O-N 2.7Å; A432-I436 WeakPolarHBondContact O-CB 3.39Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 2.92Å
433V86.3Confident82.5Confident74 Ų7491.6 Ų91.645%0.44848%0.477SS..Hα-helixtrans-61.1-46174.7171.90000111.3E429 C435 I436 Q437E429-V433 WeakPolarHBondContact O-CG2 3.21Å; E429-V433 PolarHBondContact O-N 3.42Å; V433-C435 VanDerWaalsContact C-N 3.32Å; V433-C435 PolarHBondContact O-N 3.01Å; V433-I436 PolarHBondContact O-N 3.17Å; V433-Q437 HydrophobicContact CG1-CG 4.31Å; V433-Q437 WeakPolarHBondContact O-CB 3.37Å; V433-Q437 VanDerWaalsContact O-CG 3.26Å; V433-Q437 WeakPolarHBondContact O-CG 3.35Å; V433-Q437 PolarHBondContact O-N 2.76Å
434R85.8Confident82.3Confident111 Ų11194.8 Ų94.842%0.41949%0.49SS..Hα-helixtrans-62.4-37.2174.7-77.8-174.9-116.4-176.1-7.9112.8E312 E430 K431 K438E312-R434 IonicContact OE1-NH1 2.68Å; E312-R434 PolarHBondContact OE1-NH1 3.33Å; E312-R434 IonicContact OE2-NH1 2.66Å; E430-R434 WeakPolarHBondContact O-CB 3.33Å; E430-R434 WeakPolarHBondContact O-CG 3.37Å; E430-R434 PolarHBondContact O-N 3.46Å; E430-R434 IonicContact OE2-CZ 2.77Å; E430-R434 IonicContact OE2-NH2 2.96Å; E430-R434 PolarHBondContact OE2-NH2 3.08Å; K431-R434 PolarHBondContact O-N 2.9Å; R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 3.45Å
435C81.5Confident82.2Confident68 Ų6895.2 Ų95.246%0.45949%0.487SS..Hα-helixtrans-65.5-47.3174.8-170.70000111.3K431 A432 V433 Q437 K438 N439K431-C435 VanDerWaalsContact O-CB 3.26Å; K431-C435 WeakPolarHBondContact O-CB 3.29Å; K431-C435 PolarHBondContact O-N 2.98Å; A432-C435 WeakPolarHBondContact O-CB 3.28Å; A432-C435 PolarHBondContact O-N 2.7Å; V433-C435 VanDerWaalsContact C-N 3.32Å; V433-C435 PolarHBondContact O-N 3.01Å; C435-Q437 PolarHBondContact O-N 3.27Å; C435-K438 PolarHBondContact O-N 2.94Å; C435-N439 WeakPolarHBondContact O-CB 3.16Å; C435-N439 PolarHBondContact O-N 3.34Å; C435-N439 PolarHBondContact O-OD1 3.4Å
436I82.8Confident82.1Confident114 Ų11496.4 Ų96.459%0.58550%0.499SS*.Hα-helixtrans-61.5-43.8175.8-68.4162.9000110.7A432 V433 N439 A440A432-I436 WeakPolarHBondContact O-CB 3.39Å; A432-I436 VanDerWaalsContact O-CG1 3.26Å; A432-I436 WeakPolarHBondContact O-CG1 3.38Å; A432-I436 PolarHBondContact O-N 2.92Å; V433-I436 PolarHBondContact O-N 3.17Å; I436-N439 PolarHBondContact O-N 3.15Å; I436-A440 WeakPolarHBondContact O-CB 3.04Å; I436-A440 PolarHBondContact O-N 2.9Å
437Q83.3Confident81.8Confident119 Ų119100.2 Ų100.256%0.55651%0.509SS*.Hα-helixtrans-63.5-42.6176.3-75.4172.1-21.300112.2V433 C435 A440 S441V433-Q437 HydrophobicContact CG1-CG 4.31Å; V433-Q437 WeakPolarHBondContact O-CB 3.37Å; V433-Q437 VanDerWaalsContact O-CG 3.26Å; V433-Q437 WeakPolarHBondContact O-CG 3.35Å; V433-Q437 PolarHBondContact O-N 2.76Å; C435-Q437 PolarHBondContact O-N 3.27Å; Q437-A440 PolarHBondContact O-N 2.8Å; Q437-S441 WeakPolarHBondContact O-CB 3.3Å; Q437-S441 PolarHBondContact O-N 2.86Å
438K83.5Confident81.6Confident143 Ų14396.7 Ų96.762%0.62250%0.498SS*.Hα-helixtrans-65.5-45.9175.7-174.5174.6-179.6178.60111.4R434 C435 A440 S441 I442R434-K438 WeakPolarHBondContact O-CB 3.46Å; R434-K438 PolarHBondContact O-N 3.45Å; C435-K438 PolarHBondContact O-N 2.94Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 3.3Å; K438-S441 WeakPolarHBondContact O-CB 3.49Å; K438-S441 PolarHBondContact O-N 3.34Å; K438-I442 HydrophobicContact CG-CD1 3.95Å; K438-I442 VanDerWaalsContact O-CG1 3.32Å; K438-I442 WeakPolarHBondContact O-CG1 3.47Å; K438-I442 PolarHBondContact O-N 3.44Å
439N80.4Confident81.6Confident86 Ų8698.6 Ų98.646%0.4650%0.496SS..Hα-helixtrans-65.1-37.6177.8-67.2-5.8000111.5C435 I436 I442 M443C435-N439 WeakPolarHBondContact O-CB 3.16Å; C435-N439 PolarHBondContact O-N 3.34Å; C435-N439 PolarHBondContact O-OD1 3.4Å; I436-N439 PolarHBondContact O-N 3.15Å; N439-I442 PolarHBondContact O-N 2.83Å; N439-M443 VanDerWaalsContact O-CB 3.23Å; N439-M443 WeakPolarHBondContact O-CB 3.28Å; N439-M443 WeakPolarHBondContact O-CG 3.27Å; N439-M443 PolarHBondContact O-N 2.97Å
440A79.1Confident81.6Confident42 Ų4296.4 Ų96.435%0.34749%0.487SS..Hα-helixtrans-67.1-40.5173.500000111.7I436 Q437 K438 I442 M443 L444I436-A440 WeakPolarHBondContact O-CB 3.04Å; I436-A440 PolarHBondContact O-N 2.9Å; Q437-A440 PolarHBondContact O-N 2.8Å; K438-A440 VanDerWaalsContact C-N 3.33Å; K438-A440 PolarHBondContact O-N 3.3Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 2.92Å; A440-M443 CarbonylContact O-C 3.6Å; A440-M443 PolarHBondContact O-N 3.33Å; A440-L444 VanDerWaalsContact O-CB 3.23Å; A440-L444 WeakPolarHBondContact O-CB 3.46Å; A440-L444 WeakPolarHBondContact O-CG 3.28Å; A440-L444 PolarHBondContact O-N 3.03Å
441S80.6Confident81.6Confident86 Ų8697 Ų9760%0.60149%0.491SS*.Hα-helixtrans-60.4-44.6173.7-167.20000111.5Q437 K438 L444 D445Q437-S441 WeakPolarHBondContact O-CB 3.3Å; Q437-S441 PolarHBondContact O-N 2.86Å; K438-S441 WeakPolarHBondContact O-CB 3.49Å; K438-S441 PolarHBondContact O-N 3.34Å; S441-L444 PolarHBondContact O-N 3.3Å; S441-D445 PolarHBondContact O-N 3.05Å; S441-D445 VanDerWaalsContact O-N 3.15Å
442I78.3Confident81.5Confident62 Ų6294.4 Ų94.432%0.31848%0.484SS..Hα-helixtrans-68-37.1176.6-66.8165.5000111.1K438 N439 A440 D445 F448K438-I442 HydrophobicContact CG-CD1 3.95Å; K438-I442 VanDerWaalsContact O-CG1 3.32Å; K438-I442 WeakPolarHBondContact O-CG1 3.47Å; K438-I442 PolarHBondContact O-N 3.44Å; N439-I442 PolarHBondContact O-N 2.83Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 2.92Å; I442-D445 VanDerWaalsContact O-CB 3.32Å; I442-D445 WeakPolarHBondContact O-CB 3.3Å; I442-D445 PolarHBondContact O-N 3.4Å; I442-F448 HydrophobicContact CG2-CB 4.3Å; I442-F448 HydrophobicContact CG2-CD1 3.48Å; I442-F448 VanDerWaalsContact CG2-CD1 3.48Å; I442-F448 HydrophobicContact CG2-CD2 3.78Å; I442-F448 HydrophobicContact CG2-CE1 3.57Å; I442-F448 HydrophobicContact CG2-CE2 3.88Å; I442-F448 HydrophobicContact CG2-CG 3.58Å; I442-F448 HydrophobicContact CG2-CZ 3.77Å; I442-F448 VanDerWaalsContact O-CB 3.27Å; I442-F448 WeakPolarHBondContact O-CB 3.43Å; I442-F448 WeakPolarHBondContact O-CD1 3.49Å
443M72.1Confident81.5Confident88 Ų8894.7 Ų94.743%0.43349%0.486SS..Hα-helixtrans-78.7-18.6177.9-74.4-100.655.300114N439 A440 F448 R449 L452N439-M443 VanDerWaalsContact O-CB 3.23Å; N439-M443 WeakPolarHBondContact O-CB 3.28Å; N439-M443 WeakPolarHBondContact O-CG 3.27Å; N439-M443 PolarHBondContact O-N 2.97Å; A440-M443 CarbonylContact O-C 3.6Å; A440-M443 PolarHBondContact O-N 3.33Å; M443-F448 HydrophobicContact CE-CD1 4.13Å; M443-F448 HydrophobicContact CE-CE1 4.26Å; M443-R449 HydrophobicContact CE-CG 4.25Å; M443-R449 WeakPolarHBondContact O-CD 3.46Å; M443-R449 VanDerWaalsContact O-CG 3.24Å; M443-R449 WeakPolarHBondContact O-CG 3.45Å; M443-R449 PolarHBondContact O-NE 3.46Å; M443-R449 VanDerWaalsContact O-NE 3.08Å; M443-L452 HydrophobicContact CE-CD1 3.44Å; M443-L452 VanDerWaalsContact CE-CD1 3.44Å; M443-L452 HydrophobicContact SD-CD1 4.45Å
444L77.1Confident81.4Confident115 Ų11594.1 Ų94.160%0.60248%0.48SS*.Hα-helixtrans-87.4-18.3172.7-73.2169.9000112.3A440 S441 P446 R449A440-L444 VanDerWaalsContact O-CB 3.23Å; A440-L444 WeakPolarHBondContact O-CB 3.46Å; A440-L444 WeakPolarHBondContact O-CG 3.28Å; A440-L444 PolarHBondContact O-N 3.03Å; S441-L444 PolarHBondContact O-N 3.3Å; L444-P446 WeakPolarHBondContact O-CD 3.34Å; L444-R449 PolarHBondContact O-NH2 3.05Å
445D82.5Confident81.1Confident72 Ų7294.4 Ų94.439%0.38549%0.485SS..  trans-57123.6170-167.6-33.6000110.8S441 I442 W447 F448 R449S441-D445 PolarHBondContact O-N 3.05Å; S441-D445 VanDerWaalsContact O-N 3.15Å; I442-D445 VanDerWaalsContact O-CB 3.32Å; I442-D445 WeakPolarHBondContact O-CB 3.3Å; I442-D445 PolarHBondContact O-N 3.4Å; D445-W447 VanDerWaalsContact C-N 3.32Å; D445-W447 PolarHBondContact O-N 2.95Å; D445-W447 WeakPolarHBondContact OD1-CB 3.33Å; D445-W447 PolarHBondContact OD1-N 2.89Å; D445-F448 HydrophobicContact CB-CB 4.07Å; D445-R449 WeakPolarHBondContact O-CG 3.49Å; D445-R449 PolarHBondContact O-N 3.06Å
446P80.4Confident81.3Confident96 Ų9694.6 Ų94.662%0.62349%0.485SS*.Hα-helixtrans-59.7-38.9174.8-23.534.8000113.2L444 R449 L450L444-P446 WeakPolarHBondContact O-CD 3.34Å; P446-R449 PolarHBondContact O-N 3.06Å; P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 3.06Å
447W77.3Confident81.2Confident180 Ų18094.1 Ų94.168%0.68248%0.483SS*.Hα-helixtrans-67.3-42.1-178.1-95.2112.6000111.9D445 R449 L450 M451D445-W447 VanDerWaalsContact C-N 3.32Å; D445-W447 PolarHBondContact O-N 2.95Å; D445-W447 WeakPolarHBondContact OD1-CB 3.33Å; D445-W447 PolarHBondContact OD1-N 2.89Å; W447-R449 VanDerWaalsContact C-N 3.33Å; W447-R449 PolarHBondContact O-N 2.88Å; W447-L450 HydrophobicContact CE3-CD2 4.11Å; W447-L450 HydrophobicContact CZ3-CD2 3.99Å; W447-L450 PolarHBondContact O-N 3.47Å; W447-M451 WeakPolarHBondContact O-CB 3.4Å; W447-M451 WeakPolarHBondContact O-CG 3.28Å; W447-M451 PolarHBondContact O-N 3.36Å
448F80.8Confident81.1Confident88 Ų8893.2 Ų93.239%0.38648%0.481SS..Hα-helixtrans-69.2-33.3177.2-167.9-100.4000112.1I442 M443 D445 L452I442-F448 HydrophobicContact CG2-CB 4.3Å; I442-F448 HydrophobicContact CG2-CD1 3.48Å; I442-F448 VanDerWaalsContact CG2-CD1 3.48Å; I442-F448 HydrophobicContact CG2-CD2 3.78Å; I442-F448 HydrophobicContact CG2-CE1 3.57Å; I442-F448 HydrophobicContact CG2-CE2 3.88Å; I442-F448 HydrophobicContact CG2-CG 3.58Å; I442-F448 HydrophobicContact CG2-CZ 3.77Å; I442-F448 VanDerWaalsContact O-CB 3.27Å; I442-F448 WeakPolarHBondContact O-CB 3.43Å; I442-F448 WeakPolarHBondContact O-CD1 3.49Å; M443-F448 HydrophobicContact CE-CD1 4.13Å; M443-F448 HydrophobicContact CE-CE1 4.26Å; D445-F448 HydrophobicContact CB-CB 4.07Å; F448-L452 HydrophobicContact CD1-CD1 3.8Å; F448-L452 HydrophobicContact CD1-CG 4.33Å; F448-L452 HydrophobicContact CE1-CD1 3.51Å; F448-L452 HydrophobicContact CE1-CG 4.09Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 WeakPolarHBondContact O-CB 3.5Å; F448-L452 WeakPolarHBondContact O-CG 3.48Å; F448-L452 PolarHBondContact O-N 3.27Å
449R83.6Confident80.9Confident125 Ų12594.4 Ų94.447%0.47248%0.482SS..Hα-helixtrans-67-42.4171.4-75.1-169.8-89.5-179.6-7.2112.3M443 L444 D445 P446 W447 L452 A453M443-R449 HydrophobicContact CE-CG 4.25Å; M443-R449 WeakPolarHBondContact O-CD 3.46Å; M443-R449 VanDerWaalsContact O-CG 3.24Å; M443-R449 WeakPolarHBondContact O-CG 3.45Å; M443-R449 PolarHBondContact O-NE 3.46Å; M443-R449 VanDerWaalsContact O-NE 3.08Å; L444-R449 PolarHBondContact O-NH2 3.05Å; D445-R449 WeakPolarHBondContact O-CG 3.49Å; D445-R449 PolarHBondContact O-N 3.06Å; P446-R449 PolarHBondContact O-N 3.06Å; W447-R449 VanDerWaalsContact C-N 3.33Å; W447-R449 PolarHBondContact O-N 2.88Å; R449-L452 PolarHBondContact O-N 3.04Å; R449-A453 PolarHBondContact O-N 3.49Å; R449-A453 VanDerWaalsContact O-N 3.09Å
450L84.9Confident80.8Confident79 Ų7993.1 Ų93.141%0.41448%0.477SS..Hα-helixtrans-61.8-47.7174.2-179.560.3000110.9P446 W447 L452 A453 L454P446-L450 WeakPolarHBondContact O-CB 3.28Å; P446-L450 PolarHBondContact O-N 3.06Å; W447-L450 HydrophobicContact CE3-CD2 4.11Å; W447-L450 HydrophobicContact CZ3-CD2 3.99Å; W447-L450 PolarHBondContact O-N 3.47Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L450-L452 PolarHBondContact O-N 2.96Å; L450-A453 CarbonylContact O-C 3.55Å; L450-A453 PolarHBondContact O-N 3.11Å; L450-L454 HydrophobicContact CD1-CD1 3.9Å; L450-L454 HydrophobicContact CD1-CG 3.98Å; L450-L454 HydrophobicContact CD2-CD1 4.43Å; L450-L454 HydrophobicContact CG-CD1 3.79Å; L450-L454 HydrophobicContact CG-CG 4.27Å; L450-L454 WeakPolarHBondContact O-CB 3.4Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.66Å
451M83.6Confident80.9Confident99 Ų9996.3 Ų96.349%0.48848%0.484SS..Hα-helixtrans-60.4-36.6175.8-77.7-63.1-7000113.1W447 A453 K455W447-M451 WeakPolarHBondContact O-CB 3.4Å; W447-M451 WeakPolarHBondContact O-CG 3.28Å; W447-M451 PolarHBondContact O-N 3.36Å; M451-A453 VanDerWaalsContact C-N 3.34Å; M451-K455 WeakPolarHBondContact O-CB 3.28Å; M451-K455 PolarHBondContact O-N 3.35Å
452L82.6Confident80.7Confident86 Ų8699.8 Ų99.845%0.4549%0.485SS..Hα-helixtrans-70.3-28174.1-77.9174.1000113.5M443 F448 R449 L450 P456M443-L452 HydrophobicContact CE-CD1 3.44Å; M443-L452 VanDerWaalsContact CE-CD1 3.44Å; M443-L452 HydrophobicContact SD-CD1 4.45Å; F448-L452 HydrophobicContact CD1-CD1 3.8Å; F448-L452 HydrophobicContact CD1-CG 4.33Å; F448-L452 HydrophobicContact CE1-CD1 3.51Å; F448-L452 HydrophobicContact CE1-CG 4.09Å; F448-L452 HydrophobicContact CZ-CD1 4.31Å; F448-L452 WeakPolarHBondContact O-CB 3.5Å; F448-L452 WeakPolarHBondContact O-CG 3.48Å; F448-L452 PolarHBondContact O-N 3.27Å; R449-L452 PolarHBondContact O-N 3.04Å; L450-L452 VanDerWaalsContact C-N 3.32Å; L450-L452 PolarHBondContact O-N 2.96Å; L452-P456 VanDerWaalsContact O-CD 3.23Å; L452-P456 WeakPolarHBondContact O-CD 3.23Å
453A84.9Confident80.9Confident56 Ų56100.1 Ų100.146%0.46349%0.49SS..Hα-helixtrans-80.1-38.417400000112.5R449 L450 M451 P456R449-A453 PolarHBondContact O-N 3.49Å; R449-A453 VanDerWaalsContact O-N 3.09Å; L450-A453 CarbonylContact O-C 3.55Å; L450-A453 PolarHBondContact O-N 3.11Å; M451-A453 VanDerWaalsContact C-N 3.34Å; A453-P456 VanDerWaalsContact O-CD 3.31Å; A453-P456 WeakPolarHBondContact O-CD 3.36Å; A453-P456 VanDerWaalsContact O-CG 3.3Å; A453-P456 WeakPolarHBondContact O-CG 3.41Å
454L83.6Confident81.4Confident62 Ų62100.7 Ų100.733%0.32549%0.491SS..Hα-helixtrans-75.4-33.7177.8-70.7176.4000112.9L450 L457 I458L450-L454 HydrophobicContact CD1-CD1 3.9Å; L450-L454 HydrophobicContact CD1-CG 3.98Å; L450-L454 HydrophobicContact CD2-CD1 4.43Å; L450-L454 HydrophobicContact CG-CD1 3.79Å; L450-L454 HydrophobicContact CG-CG 4.27Å; L450-L454 WeakPolarHBondContact O-CB 3.4Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 2.66Å; L454-L457 HydrophobicContact CD2-CD1 4.43Å; L454-L457 CarbonylContact O-C 3.54Å; L454-L457 WeakPolarHBondContact O-CA 3.48Å; L454-L457 PolarHBondContact O-N 2.78Å; L454-I458 HydrophobicContact CB-CD1 3.96Å; L454-I458 HydrophobicContact CB-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CG1 3.4Å; L454-I458 PolarHBondContact O-N 2.9Å
455K81Confident81.6Confident116 Ų116100 Ų10050%0.50449%0.485SS..Hα-helixtrans-57.2-35.4-177.2-172.4161.5-170157.30116M451 R459M451-K455 WeakPolarHBondContact O-CB 3.28Å; M451-K455 PolarHBondContact O-N 3.35Å; K455-R459 WeakPolarHBondContact O-CD 3.17Å; K455-R459 WeakPolarHBondContact O-CG 3.33Å
456P85Confident81.6Confident72 Ų72100.9 Ų100.947%0.46849%0.487SS..Hα-helixtrans-71.9-40166.826.5-33.6000112.5L452 A453 R459 T460L452-P456 VanDerWaalsContact O-CD 3.23Å; L452-P456 WeakPolarHBondContact O-CD 3.23Å; A453-P456 VanDerWaalsContact O-CD 3.31Å; A453-P456 WeakPolarHBondContact O-CD 3.36Å; A453-P456 VanDerWaalsContact O-CG 3.3Å; A453-P456 WeakPolarHBondContact O-CG 3.41Å; P456-R459 WeakPolarHBondContact O-CB 3.29Å; P456-R459 PolarHBondContact O-N 2.93Å; P456-R459 VanDerWaalsContact O-N 3.12Å; P456-T460 PolarHBondContact O-N 2.86Å
457L80.1Confident81.7Confident104 Ų104101.6 Ų101.655%0.54549%0.485SS..Hα-helixtrans-65.2-42.7-178.5-65.9169.6000113.1L454 R459 T460 H461L454-L457 HydrophobicContact CD2-CD1 4.43Å; L454-L457 CarbonylContact O-C 3.54Å; L454-L457 WeakPolarHBondContact O-CA 3.48Å; L454-L457 PolarHBondContact O-N 2.78Å; L457-R459 PolarHBondContact O-N 3.1Å; L457-T460 WeakPolarHBondContact CA-OG1 3.39Å; L457-T460 PolarHBondContact O-N 3.16Å; L457-T460 PolarHBondContact O-OG1 3.04Å; L457-H461 VanDerWaalsContact O-CB 3.29Å; L457-H461 WeakPolarHBondContact O-CB 3.47Å; L457-H461 PolarHBondContact O-N 3.4Å
458I82.1Confident82Confident101 Ų10198.5 Ų98.552%0.51848%0.481SS..Hα-helixtrans-62.8-30174.1-65.3165000110.8L454 R462L454-I458 HydrophobicContact CB-CD1 3.96Å; L454-I458 HydrophobicContact CB-CG1 4.46Å; L454-I458 WeakPolarHBondContact O-CG1 3.4Å; L454-I458 PolarHBondContact O-N 2.9Å; I458-R462 VanDerWaalsContact O-CB 3.3Å; I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 PolarHBondContact O-N 2.92Å; I458-R462 VanDerWaalsContact O-N 3.11Å
459R78.7Confident82.2Confident167 Ų167100.6 Ų100.663%0.6349%0.49SS*.Hα-helixtrans-76.6-42175-76173167.7-174-9.2112.3K455 P456 L457 T463K455-R459 WeakPolarHBondContact O-CD 3.17Å; K455-R459 WeakPolarHBondContact O-CG 3.33Å; P456-R459 WeakPolarHBondContact O-CB 3.29Å; P456-R459 PolarHBondContact O-N 2.93Å; P456-R459 VanDerWaalsContact O-N 3.12Å; L457-R459 PolarHBondContact O-N 3.1Å; R459-T463 WeakPolarHBondContact O-CG2 3.49Å; R459-T463 PolarHBondContact O-N 2.7Å; R459-T463 PolarHBondContact O-OG1 3.34Å
460T79.5Confident82.2Confident60 Ų6099.5 Ų99.537%0.36849%0.493SS..Hα-helixtrans-64.7-47.5175.6540000110.2P456 L457 R462 T463 E464P456-T460 PolarHBondContact O-N 2.86Å; L457-T460 WeakPolarHBondContact CA-OG1 3.39Å; L457-T460 PolarHBondContact O-N 3.16Å; L457-T460 PolarHBondContact O-OG1 3.04Å; T460-R462 PolarHBondContact O-N 3.44Å; T460-T463 WeakPolarHBondContact CA-OG1 3.35Å; T460-T463 CarbonylContact O-C 3.54Å; T460-T463 PolarHBondContact O-N 2.94Å; T460-T463 PolarHBondContact O-OG1 3.01Å; T460-E464 WeakPolarHBondContact O-CB 3.38Å; T460-E464 VanDerWaalsContact O-CG 3.24Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 3.28Å
461H79.6Confident82.2Confident108 Ų108104.4 Ų104.450%0.551%0.506SS..Hα-helixtrans-53.5-51.5175.4-165.7-79.2000111.6L457 T463 E464 E465L457-H461 VanDerWaalsContact O-CB 3.29Å; L457-H461 WeakPolarHBondContact O-CB 3.47Å; L457-H461 PolarHBondContact O-N 3.4Å; H461-T463 VanDerWaalsContact C-N 3.34Å; H461-T463 PolarHBondContact O-N 3Å; H461-E464 CarbonylContact O-C 3.6Å; H461-E464 WeakPolarHBondContact O-CA 3.46Å; H461-E464 WeakPolarHBondContact O-CB 3.47Å; H461-E464 PolarHBondContact O-N 3.07Å; H461-E465 IonicContact CE1-OE1 3.71Å; H461-E465 PolarHBondContact CE1-OE1 3.15Å; H461-E465 VanDerWaalsContact CE1-OE1 3.26Å; H461-E465 IonicContact CE1-OE2 2.69Å; H461-E465 IonicContact CG-OE2 4Å; H461-E465 IonicContact ND1-OE1 2.73Å; H461-E465 PolarHBondContact ND1-OE1 3.33Å; H461-E465 IonicContact ND1-OE2 3.71Å; H461-E465 PolarHBondContact ND1-OE2 2.96Å; H461-E465 WeakPolarHBondContact O-CG 3.43Å; H461-E465 PolarHBondContact O-N 3.23Å
462R78.1Confident82.3Confident160 Ų160103.2 Ų103.260%0.60451%0.508SS*.Hα-helixtrans-59.8-41.2176.8-173.9179.4176.5110.811.1112.9I458 T460 E464 E465 E466I458-R462 VanDerWaalsContact O-CB 3.3Å; I458-R462 WeakPolarHBondContact O-CB 3.41Å; I458-R462 PolarHBondContact O-N 2.92Å; I458-R462 VanDerWaalsContact O-N 3.11Å; T460-R462 PolarHBondContact O-N 3.44Å; R462-E464 VanDerWaalsContact C-N 3.31Å; R462-E465 WeakPolarHBondContact CA-OE2 3.21Å; R462-E466 WeakPolarHBondContact CG-OE1 3.37Å; R462-E466 IonicContact CZ-OE1 3.86Å; R462-E466 IonicContact NE-OE1 2.9Å; R462-E466 PolarHBondContact NE-OE1 2.81Å; R462-E466 IonicContact NH2-OE1 3.18Å; R462-E466 PolarHBondContact NH2-OE1 2.93Å; R462-E466 WeakPolarHBondContact O-CB 3.38Å; R462-E466 VanDerWaalsContact O-CG 3.26Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 3.44Å
463T82.2Confident82.3Confident69 Ų69101.8 Ų101.842%0.42350%0.498SS..Hα-helixtrans-71.7-25.7175.153.10000113.1R459 T460 H461 L467R459-T463 WeakPolarHBondContact O-CG2 3.49Å; R459-T463 PolarHBondContact O-N 2.7Å; R459-T463 PolarHBondContact O-OG1 3.34Å; T460-T463 WeakPolarHBondContact CA-OG1 3.35Å; T460-T463 CarbonylContact O-C 3.54Å; T460-T463 PolarHBondContact O-N 2.94Å; T460-T463 PolarHBondContact O-OG1 3.01Å; H461-T463 VanDerWaalsContact C-N 3.34Å; H461-T463 PolarHBondContact O-N 3Å; T463-L467 WeakPolarHBondContact O-CB 3.48Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.25Å; T463-L467 PolarHBondContact O-N 3.11Å
464E82.7Confident82.3Confident100 Ų100103.6 Ų103.647%0.46750%0.5SS..Hα-helixtrans-74.6-40.1174.8-75.3154.3-170.100110.3T460 H461 R462 L467 L468T460-E464 WeakPolarHBondContact O-CB 3.38Å; T460-E464 VanDerWaalsContact O-CG 3.24Å; T460-E464 WeakPolarHBondContact O-CG 3.43Å; T460-E464 PolarHBondContact O-N 3.28Å; H461-E464 CarbonylContact O-C 3.6Å; H461-E464 WeakPolarHBondContact O-CA 3.46Å; H461-E464 WeakPolarHBondContact O-CB 3.47Å; H461-E464 PolarHBondContact O-N 3.07Å; R462-E464 VanDerWaalsContact C-N 3.31Å; E464-L467 CarbonylContact O-C 3.52Å; E464-L467 PolarHBondContact O-N 3.02Å; E464-L468 VanDerWaalsContact O-CB 3.3Å; E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 3.33Å
465E81.4Confident82.3Confident101 Ų101104 Ų10447%0.47250%0.5SS..Hα-helixtrans-62.3-49.3169.7-69.6166.7123.100111.6H461 R462 L467 L468 F469H461-E465 IonicContact CE1-OE1 3.71Å; H461-E465 PolarHBondContact CE1-OE1 3.15Å; H461-E465 VanDerWaalsContact CE1-OE1 3.26Å; H461-E465 IonicContact CE1-OE2 2.69Å; H461-E465 IonicContact CG-OE2 4Å; H461-E465 IonicContact ND1-OE1 2.73Å; H461-E465 PolarHBondContact ND1-OE1 3.33Å; H461-E465 IonicContact ND1-OE2 3.71Å; H461-E465 PolarHBondContact ND1-OE2 2.96Å; H461-E465 WeakPolarHBondContact O-CG 3.43Å; H461-E465 PolarHBondContact O-N 3.23Å; R462-E465 WeakPolarHBondContact CA-OE2 3.21Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.4Å; E465-L468 PolarHBondContact O-N 2.93Å; E465-F469 WeakPolarHBondContact O-CB 3.36Å; E465-F469 PolarHBondContact O-N 2.7Å
466E81.5Confident82.4Confident90 Ų90104.8 Ų104.842%0.42150%0.5SS..Hα-helixtrans-60.2-36.8175-72.3170.1-170.300111.2R462 L470R462-E466 WeakPolarHBondContact CG-OE1 3.37Å; R462-E466 IonicContact CZ-OE1 3.86Å; R462-E466 IonicContact NE-OE1 2.9Å; R462-E466 PolarHBondContact NE-OE1 2.81Å; R462-E466 IonicContact NH2-OE1 3.18Å; R462-E466 PolarHBondContact NH2-OE1 2.93Å; R462-E466 WeakPolarHBondContact O-CB 3.38Å; R462-E466 VanDerWaalsContact O-CG 3.26Å; R462-E466 WeakPolarHBondContact O-CG 3.42Å; R462-E466 PolarHBondContact O-N 3.44Å; E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 WeakPolarHBondContact O-CD1 3.35Å; E466-L470 WeakPolarHBondContact O-CG 3.28Å; E466-L470 PolarHBondContact O-N 3.31Å; E466-L470 VanDerWaalsContact O-N 3.08Å
467L81.6Confident82.4Confident111 Ų111106.9 Ų106.958%0.58150%0.499SS*.Hα-helixtrans-74.1-34.9174-78.8169.3000113.8T463 E464 E465 R471T463-L467 WeakPolarHBondContact O-CB 3.48Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.25Å; T463-L467 PolarHBondContact O-N 3.11Å; E464-L467 CarbonylContact O-C 3.52Å; E464-L467 PolarHBondContact O-N 3.02Å; E465-L467 VanDerWaalsContact C-N 3.28Å; E465-L467 PolarHBondContact O-N 3.4Å; L467-R471 WeakPolarHBondContact O-CB 3.34Å; L467-R471 PolarHBondContact O-N 3.07Å
468L84Confident82.6Confident114 Ų114106.3 Ų106.360%0.59749%0.492SS*.Hα-helixtrans-67.9-43.5176.3-78.9166.5000110.6E464 E465 R471 S472E464-L468 VanDerWaalsContact O-CB 3.3Å; E464-L468 WeakPolarHBondContact O-CB 3.45Å; E464-L468 WeakPolarHBondContact O-CG 3.31Å; E464-L468 PolarHBondContact O-N 3.33Å; E465-L468 PolarHBondContact O-N 2.93Å; L468-R471 PolarHBondContact O-N 2.97Å; L468-S472 PolarHBondContact O-N 2.99Å; L468-S472 PolarHBondContact O-OG 3.13Å
469F84.6Confident82.7Confident132 Ų132103.5 Ų103.558%0.57948%0.484SS*.Hα-helixtrans-59.7-49.6171.7-179-90.7000111.6E465 R471 S472 E473E465-F469 WeakPolarHBondContact O-CB 3.36Å; E465-F469 PolarHBondContact O-N 2.7Å; F469-R471 PolarHBondContact O-N 3.41Å; F469-S472 PolarHBondContact O-N 3.08Å; F469-S472 PolarHBondContact O-OG 3.02Å; F469-E473 WeakPolarHBondContact O-CB 3.45Å; F469-E473 PolarHBondContact O-N 3.1Å
470L85.3Confident83.1Confident103 Ų10399.1 Ų99.154%0.53947%0.473SS..Hα-helixtrans-62.7-31.3176.1-74.1169.1000112.5E466 L474E466-L470 WeakPolarHBondContact O-CB 3.39Å; E466-L470 WeakPolarHBondContact O-CD1 3.35Å; E466-L470 WeakPolarHBondContact O-CG 3.28Å; E466-L470 PolarHBondContact O-N 3.31Å; E466-L470 VanDerWaalsContact O-N 3.08Å; L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 PolarHBondContact O-N 3.07Å
471R85Confident83.4Confident182 Ų18299.6 Ų99.669%0.68748%0.476SS*.Hα-helixtrans-74.3-41.1177.6-177.3174.8179.2167.5-2.2112.3L467 L468 F469 L474 E475L467-R471 WeakPolarHBondContact O-CB 3.34Å; L467-R471 PolarHBondContact O-N 3.07Å; L468-R471 PolarHBondContact O-N 2.97Å; F469-R471 PolarHBondContact O-N 3.41Å; R471-L474 PolarHBondContact O-N 2.79Å; R471-E475 PolarHBondContact O-N 3.02Å
472S84.6Confident83.6Confident74 Ų74100.6 Ų100.652%0.51748%0.475SS..Hα-helixtrans-67.8-43.4176.665.80000111.1L468 F469 L474 E475 R476L468-S472 PolarHBondContact O-N 2.99Å; L468-S472 PolarHBondContact O-OG 3.13Å; F469-S472 PolarHBondContact O-N 3.08Å; F469-S472 PolarHBondContact O-OG 3.02Å; S472-L474 PolarHBondContact O-N 2.89Å; S472-E475 PolarHBondContact O-N 3.42Å; S472-R476 PolarHBondContact O-N 3.27Å
473E82.8Confident83.9Confident55 Ų5598 Ų9826%0.25747%0.471SS..Hα-helixtrans-61.5-42.5172.2175.1124.9-112.600111.8F469 E475 R476 Y477F469-E473 WeakPolarHBondContact O-CB 3.45Å; F469-E473 PolarHBondContact O-N 3.1Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 2.94Å; E473-R476 WeakPolarHBondContact O-CB 3.45Å; E473-R476 PolarHBondContact O-N 3.12Å; E473-R476 IonicContact OE1-CZ 2.85Å; E473-R476 IonicContact OE1-NE 2.74Å; E473-R476 IonicContact OE1-NH2 3.59Å; E473-R476 PolarHBondContact OE1-NH2 3.34Å; E473-Y477 HydrophobicContact CG-CD2 3.71Å; E473-Y477 HydrophobicContact CG-CE2 3.32Å; E473-Y477 WeakPolarHBondContact O-CD2 3.36Å; E473-Y477 PolarHBondContact O-N 3.09Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.49Å; E473-Y477 PolarHBondContact OE1-OH 3.47Å
474L84.3Confident84Confident94 Ų9498.9 Ų98.949%0.49247%0.473SS..Hα-helixtrans-65.8-33.4176.4-174.8151.3000112.5L470 R471 S472 K478L470-L474 WeakPolarHBondContact O-CB 3.43Å; L470-L474 PolarHBondContact O-N 3.07Å; R471-L474 PolarHBondContact O-N 2.79Å; S472-L474 PolarHBondContact O-N 2.89Å; L474-K478 HydrophobicContact CD2-CD 3.84Å; L474-K478 VanDerWaalsContact CD2-CE 3.4Å; L474-K478 HydrophobicContact CD2-CG 4.29Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.21Å
475E83.5Confident84.1Confident70 Ų70103 Ų10333%0.32748%0.484SS..Hα-helixtrans-73.7-35173.4-156.761.2-131.100112.2R471 S472 E473 K478 A479 R482R471-E475 PolarHBondContact O-N 3.02Å; S472-E475 PolarHBondContact O-N 3.42Å; E473-E475 VanDerWaalsContact C-N 3.33Å; E473-E475 PolarHBondContact O-N 2.94Å; E475-K478 VanDerWaalsContact CD-CD 3.42Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 3.13Å; E475-K478 VanDerWaalsContact OE1-CD 3.31Å; E475-K478 WeakPolarHBondContact OE1-CD 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.44Å; E475-K478 WeakPolarHBondContact OE2-CE 3.41Å; E475-K478 IonicContact OE2-NZ 2.84Å; E475-K478 PolarHBondContact OE2-NZ 3.41Å; E475-A479 WeakPolarHBondContact O-CB 3.49Å; E475-A479 PolarHBondContact O-N 3.31Å; E475-R482 IonicContact OE1-CZ 2.65Å; E475-R482 IonicContact OE1-NH1 3.22Å; E475-R482 PolarHBondContact OE1-NH1 3Å; E475-R482 IonicContact OE1-NH2 3.34Å; E475-R482 PolarHBondContact OE1-NH2 3.43Å
476R84.8Confident84.2Confident134 Ų134105.7 Ų105.751%0.50649%0.494SS..Hα-helixtrans-58.5-46.6168-171.6-178.373.786.3-4.3111.3S472 E473 A479 L480S472-R476 PolarHBondContact O-N 3.27Å; E473-R476 WeakPolarHBondContact O-CB 3.45Å; E473-R476 PolarHBondContact O-N 3.12Å; E473-R476 IonicContact OE1-CZ 2.85Å; E473-R476 IonicContact OE1-NE 2.74Å; E473-R476 IonicContact OE1-NH2 3.59Å; E473-R476 PolarHBondContact OE1-NH2 3.34Å; R476-A479 PolarHBondContact O-N 3.39Å; R476-L480 PolarHBondContact O-N 2.91Å
477Y83.4Confident84.3Confident115 Ų115105.5 Ų105.545%0.45149%0.493SS..Hα-helixtrans-67.4-36.5175.1-73.3-56000112.9E473 L480 V481E473-Y477 HydrophobicContact CG-CD2 3.71Å; E473-Y477 HydrophobicContact CG-CE2 3.32Å; E473-Y477 WeakPolarHBondContact O-CD2 3.36Å; E473-Y477 PolarHBondContact O-N 3.09Å; E473-Y477 WeakPolarHBondContact OE1-CE2 3.49Å; E473-Y477 PolarHBondContact OE1-OH 3.47Å; Y477-L480 PolarHBondContact O-N 3.49Å; Y477-V481 WeakPolarHBondContact O-CB 3.22Å; Y477-V481 VanDerWaalsContact O-CG2 3.29Å; Y477-V481 WeakPolarHBondContact O-CG2 3.4Å; Y477-V481 PolarHBondContact O-N 2.93Å
478K85.3Confident84.5Confident92 Ų92104.3 Ų104.340%0.449%0.488SS..Hα-helixtrans-61-44.7170.8-80.3164.7171.5162.80111.6L474 E475 V481 R482L474-K478 HydrophobicContact CD2-CD 3.84Å; L474-K478 VanDerWaalsContact CD2-CE 3.4Å; L474-K478 HydrophobicContact CD2-CG 4.29Å; L474-K478 WeakPolarHBondContact O-CG 3.25Å; L474-K478 PolarHBondContact O-N 3.21Å; E475-K478 VanDerWaalsContact CD-CD 3.42Å; E475-K478 WeakPolarHBondContact O-CB 3.19Å; E475-K478 PolarHBondContact O-N 3.13Å; E475-K478 VanDerWaalsContact OE1-CD 3.31Å; E475-K478 WeakPolarHBondContact OE1-CD 3.47Å; E475-K478 WeakPolarHBondContact OE2-CD 3.44Å; E475-K478 WeakPolarHBondContact OE2-CE 3.41Å; E475-K478 IonicContact OE2-NZ 2.84Å; E475-K478 PolarHBondContact OE2-NZ 3.41Å; K478-V481 CarbonylContact O-C 3.59Å; K478-V481 PolarHBondContact O-N 2.9Å; K478-R482 WeakPolarHBondContact O-CG 3.32Å; K478-R482 PolarHBondContact O-N 3.04Å
479A84.8Confident84.5Confident43 Ų43101.5 Ų101.536%0.35548%0.481SS..Hα-helixtrans-61-45.7178.200000111.2E475 R476 V481 R482 M483E475-A479 WeakPolarHBondContact O-CB 3.49Å; E475-A479 PolarHBondContact O-N 3.31Å; R476-A479 PolarHBondContact O-N 3.39Å; A479-V481 VanDerWaalsContact C-N 3.34Å; A479-V481 PolarHBondContact O-N 2.88Å; A479-R482 WeakPolarHBondContact O-CB 3.39Å; A479-R482 PolarHBondContact O-N 3.02Å; A479-M483 PolarHBondContact O-N 2.8Å
480L86.2Confident84.5Confident74 Ų74100 Ų10039%0.38748%0.475SS..Hα-helixtrans-60.2-41.1173.2-175.361.9000112.2R476 Y477 M483 L484R476-L480 PolarHBondContact O-N 2.91Å; Y477-L480 PolarHBondContact O-N 3.49Å; L480-M483 WeakPolarHBondContact O-CB 3.22Å; L480-M483 PolarHBondContact O-N 3.26Å; L480-L484 HydrophobicContact CD1-CD1 4.32Å; L480-L484 HydrophobicContact CD1-CG 4.39Å; L480-L484 HydrophobicContact CG-CD1 4.01Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.32Å
481V85.3Confident84.3Confident70 Ų70101.8 Ų101.842%0.42448%0.476SS..Hα-helixtrans-69.4-30.7175.6169.20000112.7Y477 K478 A479 R485Y477-V481 WeakPolarHBondContact O-CB 3.22Å; Y477-V481 VanDerWaalsContact O-CG2 3.29Å; Y477-V481 WeakPolarHBondContact O-CG2 3.4Å; Y477-V481 PolarHBondContact O-N 2.93Å; K478-V481 CarbonylContact O-C 3.59Å; K478-V481 PolarHBondContact O-N 2.9Å; A479-V481 VanDerWaalsContact C-N 3.34Å; A479-V481 PolarHBondContact O-N 2.88Å; V481-R485 WeakPolarHBondContact O-CB 3.42Å; V481-R485 WeakPolarHBondContact O-CD 3.36Å; V481-R485 WeakPolarHBondContact O-CG 3.24Å; V481-R485 PolarHBondContact O-N 3Å; V481-R485 VanDerWaalsContact O-N 3.12Å
482R83.8Confident84.4Confident129 Ų12999 Ų9949%0.48747%0.471SS..Hα-helixtrans-65.2-49.6169.4-68.9175.2-163.2123.38.6110.1E475 K478 A479 R485 F486E475-R482 IonicContact OE1-CZ 2.65Å; E475-R482 IonicContact OE1-NH1 3.22Å; E475-R482 PolarHBondContact OE1-NH1 3Å; E475-R482 IonicContact OE1-NH2 3.34Å; E475-R482 PolarHBondContact OE1-NH2 3.43Å; K478-R482 WeakPolarHBondContact O-CG 3.32Å; K478-R482 PolarHBondContact O-N 3.04Å; A479-R482 WeakPolarHBondContact O-CB 3.39Å; A479-R482 PolarHBondContact O-N 3.02Å; R482-R485 WeakPolarHBondContact O-CB 3.49Å; R482-R485 PolarHBondContact O-N 3.34Å; R482-R485 VanDerWaalsContact O-N 3.12Å; R482-F486 VanDerWaalsContact O-CD2 3.26Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å; R482-F486 PolarHBondContact O-N 3.49Å
483M84.6Confident84.3Confident107 Ų10797.8 Ų97.853%0.52747%0.466SS..Hα-helixtrans-56.6-54.2178.7-171.1-169.8-59.500111.4A479 L480 R485 F486 E487A479-M483 PolarHBondContact O-N 2.8Å; L480-M483 WeakPolarHBondContact O-CB 3.22Å; L480-M483 PolarHBondContact O-N 3.26Å; M483-R485 PolarHBondContact O-N 2.94Å; M483-F486 PolarHBondContact O-N 2.65Å; M483-E487 PolarHBondContact O-N 3.07Å
484L84.6Confident84.3Confident86 Ų86101 Ų10145%0.4548%0.476SS..Hα-helixtrans-60.8-27176.6-69.9169.6000113.2L480 N488L480-L484 HydrophobicContact CD1-CD1 4.32Å; L480-L484 HydrophobicContact CD1-CG 4.39Å; L480-L484 HydrophobicContact CG-CD1 4.01Å; L480-L484 WeakPolarHBondContact O-CB 3.4Å; L480-L484 VanDerWaalsContact O-CG 3.3Å; L480-L484 WeakPolarHBondContact O-CG 3.26Å; L480-L484 PolarHBondContact O-N 3.32Å; L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.62Å
485R84.6Confident84.2Confident186 Ų186100.6 Ų100.670%0.70248%0.477SS*.Hα-helixtrans-75.7-37.7172.3-78.9172.9-178.5-168.82.3112.5V481 R482 M483 A489V481-R485 WeakPolarHBondContact O-CB 3.42Å; V481-R485 WeakPolarHBondContact O-CD 3.36Å; V481-R485 WeakPolarHBondContact O-CG 3.24Å; V481-R485 PolarHBondContact O-N 3Å; V481-R485 VanDerWaalsContact O-N 3.12Å; R482-R485 WeakPolarHBondContact O-CB 3.49Å; R482-R485 PolarHBondContact O-N 3.34Å; R482-R485 VanDerWaalsContact O-N 3.12Å; M483-R485 PolarHBondContact O-N 2.94Å; R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.4Å; R485-A489 PolarHBondContact O-N 3.41Å
486F83.7Confident84.2Confident159 Ų159100 Ų10070%0.69748%0.484SS*.Hα-helixtrans-65.3-47.1172.4-80.6-68.4000111.1R482 M483 N488 A489 E490R482-F486 VanDerWaalsContact O-CD2 3.26Å; R482-F486 WeakPolarHBondContact O-CD2 3.39Å; R482-F486 PolarHBondContact O-N 3.49Å; M483-F486 PolarHBondContact O-N 2.65Å; F486-N488 PolarHBondContact O-N 3.09Å; F486-A489 PolarHBondContact O-N 3.31Å; F486-E490 PolarHBondContact O-N 3.44Å
487E83.9Confident84Confident85 Ų8598.6 Ų98.640%0.39749%0.486SS..Hα-helixtrans-57.9-47.4173.9-69.6-178.1167.800111.7M483 A489 E490 Y491M483-E487 PolarHBondContact O-N 3.07Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 2.76Å; E487-E490 CarbonylContact O-C 3.6Å; E487-E490 PolarHBondContact O-N 3.03Å; E487-E490 VanDerWaalsContact O-N 3.11Å; E487-Y491 HydrophobicContact CB-CD2 4.4Å; E487-Y491 HydrophobicContact CB-CE2 4.33Å; E487-Y491 WeakPolarHBondContact O-CD2 3.49Å; E487-Y491 PolarHBondContact O-N 2.99Å
488N84.7Confident84Confident87 Ų8798.1 Ų98.147%0.46549%0.491SS..Hα-helixtrans-65.3-36.2179.1-165.8-25.5000111.9L484 F486 Y491 Q492L484-N488 WeakPolarHBondContact O-CB 3.4Å; L484-N488 PolarHBondContact O-N 2.62Å; F486-N488 PolarHBondContact O-N 3.09Å; N488-Y491 PolarHBondContact O-N 3.37Å; N488-Q492 WeakPolarHBondContact O-CB 3.37Å; N488-Q492 VanDerWaalsContact O-CG 3.23Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 2.87Å; N488-Q492 PolarHBondContact OD1-NE2 3.4Å
489A85.6Confident83.8Confident54 Ų5497.7 Ų97.745%0.44650%0.496SS..Hα-helixtrans-64.7-38.6170.600000112.2R485 F486 E487 Q492 A493R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.4Å; R485-A489 PolarHBondContact O-N 3.41Å; F486-A489 PolarHBondContact O-N 3.31Å; E487-A489 VanDerWaalsContact C-N 3.34Å; E487-A489 PolarHBondContact O-N 2.76Å; A489-Q492 PolarHBondContact O-N 3.03Å; A489-A493 WeakPolarHBondContact O-CB 3.4Å; A489-A493 PolarHBondContact O-N 3.34Å
490E82.8Confident83.5Confident100 Ų100100.8 Ų100.847%0.46750%0.503SS..Hα-helixtrans-68.6-42.7175.6-147.4-142.6142.900111.8F486 E487 Q492 A493 R494F486-E490 PolarHBondContact O-N 3.44Å; E487-E490 CarbonylContact O-C 3.6Å; E487-E490 PolarHBondContact O-N 3.03Å; E487-E490 VanDerWaalsContact O-N 3.11Å; E490-Q492 VanDerWaalsContact C-N 3.32Å; E490-Q492 PolarHBondContact O-N 3.39Å; E490-A493 PolarHBondContact O-N 3.35Å; E490-R494 WeakPolarHBondContact O-CB 3.45Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.49Å; E490-R494 PolarHBondContact O-N 3.33Å; E490-R494 IonicContact OE1-CZ 2.87Å; E490-R494 IonicContact OE1-NE 2.7Å; E490-R494 PolarHBondContact OE1-NE 2.79Å; E490-R494 IonicContact OE1-NH2 2.72Å; E490-R494 PolarHBondContact OE1-NH2 3.09Å; E490-R494 IonicContact OE2-CZ 3.41Å; E490-R494 IonicContact OE2-NE 2.86Å; E490-R494 IonicContact OE2-NH2 2.7Å; E490-R494 PolarHBondContact OE2-NH2 3.32Å; E490-R494 VanDerWaalsContact OE2-NH2 3.08Å
491Y83Confident83.1Confident141 Ų141101.6 Ų101.655%0.55351%0.507SS*.Hα-helixtrans-60.2-40.6171.4-77.4-63.3000111.6E487 N488 R494 V495E487-Y491 HydrophobicContact CB-CD2 4.4Å; E487-Y491 HydrophobicContact CB-CE2 4.33Å; E487-Y491 WeakPolarHBondContact O-CD2 3.49Å; E487-Y491 PolarHBondContact O-N 2.99Å; N488-Y491 PolarHBondContact O-N 3.37Å; Y491-R494 PolarHBondContact O-N 2.96Å; Y491-V495 WeakPolarHBondContact O-CB 3.46Å; Y491-V495 VanDerWaalsContact O-CG2 3.27Å; Y491-V495 WeakPolarHBondContact O-CG2 3.11Å; Y491-V495 PolarHBondContact O-N 3.38Å
492Q85.6Confident82.4Confident123 Ų123100.2 Ų100.258%0.57550%0.497SS*.Hα-helixtrans-64.4-40.1173.6-75.7172.744.600112.1N488 A489 E490 V495 A496N488-Q492 WeakPolarHBondContact O-CB 3.37Å; N488-Q492 VanDerWaalsContact O-CG 3.23Å; N488-Q492 WeakPolarHBondContact O-CG 3.39Å; N488-Q492 PolarHBondContact O-N 2.87Å; N488-Q492 PolarHBondContact OD1-NE2 3.4Å; A489-Q492 PolarHBondContact O-N 3.03Å; E490-Q492 VanDerWaalsContact C-N 3.32Å; E490-Q492 PolarHBondContact O-N 3.39Å; Q492-V495 PolarHBondContact O-N 3.36Å; Q492-A496 VanDerWaalsContact O-CB 3.31Å; Q492-A496 WeakPolarHBondContact O-CB 3.39Å; Q492-A496 PolarHBondContact O-N 2.96Å
493A83.2Confident82Confident50 Ų50100.4 Ų100.441%0.41350%0.504SS..Hα-helixtrans-65.9-42.9174.400000112.1A489 E490 V495 A496 N497A489-A493 WeakPolarHBondContact O-CB 3.4Å; A489-A493 PolarHBondContact O-N 3.34Å; E490-A493 PolarHBondContact O-N 3.35Å; A493-V495 PolarHBondContact O-N 3.3Å; A493-A496 PolarHBondContact O-N 3.43Å; A493-N497 WeakPolarHBondContact O-CB 3.47Å; A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 2.93Å; A493-N497 PolarHBondContact O-ND2 3.07Å
494R83.4Confident81.4Confident123 Ų123100.4 Ų100.446%0.46450%0.502SS..Hα-helixtrans-59.9-43.8173-70.3172.2-177-164.29.3111.3E490 Y491 L498E490-R494 WeakPolarHBondContact O-CB 3.45Å; E490-R494 VanDerWaalsContact O-CG 3.27Å; E490-R494 WeakPolarHBondContact O-CG 3.49Å; E490-R494 PolarHBondContact O-N 3.33Å; E490-R494 IonicContact OE1-CZ 2.87Å; E490-R494 IonicContact OE1-NE 2.7Å; E490-R494 PolarHBondContact OE1-NE 2.79Å; E490-R494 IonicContact OE1-NH2 2.72Å; E490-R494 PolarHBondContact OE1-NH2 3.09Å; E490-R494 IonicContact OE2-CZ 3.41Å; E490-R494 IonicContact OE2-NE 2.86Å; E490-R494 IonicContact OE2-NH2 2.7Å; E490-R494 PolarHBondContact OE2-NH2 3.32Å; E490-R494 VanDerWaalsContact OE2-NH2 3.08Å; Y491-R494 PolarHBondContact O-N 2.96Å; R494-L498 VanDerWaalsContact O-CG 3.31Å; R494-L498 WeakPolarHBondContact O-CG 3.45Å; R494-L498 PolarHBondContact O-N 3.02Å
495V81.2Confident80.2Confident85 Ų85100.7 Ų100.752%0.51550%0.502SS..Hα-helixtrans-66.3-43.1175.5167.80000111.6Y491 Q492 A493 N497 L498 V499Y491-V495 WeakPolarHBondContact O-CB 3.46Å; Y491-V495 VanDerWaalsContact O-CG2 3.27Å; Y491-V495 WeakPolarHBondContact O-CG2 3.11Å; Y491-V495 PolarHBondContact O-N 3.38Å; Q492-V495 PolarHBondContact O-N 3.36Å; A493-V495 PolarHBondContact O-N 3.3Å; V495-N497 PolarHBondContact O-N 3.45Å; V495-L498 PolarHBondContact O-N 3.31Å; V495-V499 HydrophobicContact CG1-CG2 4.29Å; V495-V499 WeakPolarHBondContact O-CG2 3.29Å; V495-V499 PolarHBondContact O-N 2.84Å
496A83Confident78.9Confident57 Ų5795.7 Ų95.747%0.47150%0.496SS..Hα-helixtrans-61-43.3176.800000111.7Q492 A493 V499 Q500Q492-A496 VanDerWaalsContact O-CB 3.31Å; Q492-A496 WeakPolarHBondContact O-CB 3.39Å; Q492-A496 PolarHBondContact O-N 2.96Å; A493-A496 PolarHBondContact O-N 3.43Å; A496-V499 PolarHBondContact O-N 2.93Å; A496-Q500 WeakPolarHBondContact O-CB 3.3Å; A496-Q500 PolarHBondContact O-N 2.89Å
497N82.2Confident77.8Confident105 Ų10593 Ų9356%0.56149%0.493SS*.Hα-helixtrans-61.6-42.7173.7-72.2-18.4000111.9A493 V495 Q500 L501A493-N497 WeakPolarHBondContact O-CB 3.47Å; A493-N497 VanDerWaalsContact O-CG 3.28Å; A493-N497 PolarHBondContact O-N 2.93Å; A493-N497 PolarHBondContact O-ND2 3.07Å; V495-N497 PolarHBondContact O-N 3.45Å; N497-Q500 PolarHBondContact O-N 2.82Å; N497-L501 WeakPolarHBondContact O-CB 3.39Å; N497-L501 PolarHBondContact O-N 3.27Å
498L82.4Confident76.3Confident105 Ų10594.3 Ų94.355%0.5550%0.502SS..Hα-helixtrans-66.1-37.4175.9-73169.6000112.7R494 V495 L501 L502R494-L498 VanDerWaalsContact O-CG 3.31Å; R494-L498 WeakPolarHBondContact O-CG 3.45Å; R494-L498 PolarHBondContact O-N 3.02Å; V495-L498 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 3.27Å; L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 WeakPolarHBondContact O-CG 3.29Å; L498-L502 PolarHBondContact O-N 3.37Å
499V80.4Confident74.7Confident83 Ų8396.6 Ų96.650%0.50352%0.519SS..Hα-helixtrans-67-42.5174.3169.50000110.8V495 A496 L501 L502 E503V495-V499 HydrophobicContact CG1-CG2 4.29Å; V495-V499 WeakPolarHBondContact O-CG2 3.29Å; V495-V499 PolarHBondContact O-N 2.84Å; A496-V499 PolarHBondContact O-N 2.93Å; V499-L501 VanDerWaalsContact C-N 3.34Å; V499-L501 PolarHBondContact O-N 3.48Å; V499-L502 CarbonylContact O-C 3.52Å; V499-L502 WeakPolarHBondContact O-CB 3.33Å; V499-L502 PolarHBondContact O-N 2.88Å; V499-E503 PolarHBondContact O-N 3.4Å
500Q79.3Confident73.3Confident108 Ų10899.2 Ų99.251%0.50553%0.534SS..Hα-helixtrans-65.1-37.9175.4-168.9177.34500111.8A496 N497 E503 Q504A496-Q500 WeakPolarHBondContact O-CB 3.3Å; A496-Q500 PolarHBondContact O-N 2.89Å; N497-Q500 PolarHBondContact O-N 2.82Å; Q500-E503 PolarHBondContact O-N 3.48Å; Q500-Q504 WeakPolarHBondContact O-CG 3.47Å; Q500-Q504 PolarHBondContact O-N 3.01Å
501L78.4Confident72.1Confident90 Ų9099.1 Ų99.147%0.47154%0.537SS..Hα-helixtrans-66-39.9173.8-15380.6000111.6N497 L498 V499 Q504 M505N497-L501 WeakPolarHBondContact O-CB 3.39Å; N497-L501 PolarHBondContact O-N 3.27Å; L498-L501 PolarHBondContact O-N 3.27Å; V499-L501 VanDerWaalsContact C-N 3.34Å; V499-L501 PolarHBondContact O-N 3.48Å; L501-Q504 PolarHBondContact O-N 2.92Å; L501-M505 HydrophobicContact CB-CE 4.49Å; L501-M505 HydrophobicContact CD2-CE 4.16Å; L501-M505 HydrophobicContact CG-CE 4.16Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 WeakPolarHBondContact O-CE 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.48Å
502L70.3Confident70.8Confident41 Ų4195.5 Ų95.522%0.21554%0.536CS..Hα-helixtrans-63.9-37.9172.3-82.2165.3000112.3L498 V499 M505 S506 V515 I522L498-L502 WeakPolarHBondContact O-CB 3.47Å; L498-L502 WeakPolarHBondContact O-CG 3.29Å; L498-L502 PolarHBondContact O-N 3.37Å; V499-L502 CarbonylContact O-C 3.52Å; V499-L502 WeakPolarHBondContact O-CB 3.33Å; V499-L502 PolarHBondContact O-N 2.88Å; L502-M505 HydrophobicContact CD2-CE 4.26Å; L502-M505 HydrophobicContact CG-CE 4.49Å; L502-M505 PolarHBondContact O-N 3.11Å; L502-S506 VanDerWaalsContact O-CB 3.22Å; L502-S506 WeakPolarHBondContact O-CB 3.42Å; L502-S506 PolarHBondContact O-N 2.82Å; L502-V515 HydrophobicContact CD2-CG1 4.37Å; L502-I522 HydrophobicContact CD1-CD1 4.28Å
503E74.9Confident70Confident134 Ų13494 Ų9463%0.62654%0.539SS*.Hα-helixtrans-67.9-44.6175.8-171.1168.2-144.600111.4V499 Q500 M505 S506 T507V499-E503 PolarHBondContact O-N 3.4Å; Q500-E503 PolarHBondContact O-N 3.48Å; E503-M505 PolarHBondContact O-N 3.1Å; E503-S506 VanDerWaalsContact O-CB 3.32Å; E503-S506 WeakPolarHBondContact O-CB 3.26Å; E503-S506 PolarHBondContact O-N 3.42Å; E503-S506 VanDerWaalsContact O-N 3.12Å; E503-T507 PolarHBondContact O-N 3.05Å; E503-T507 VanDerWaalsContact O-N 3.08Å
504Q72.5Confident69.4Low106 Ų10695.2 Ų95.250%0.49554%0.542SS..Hα-helixtrans-58.8-44.5171.9-71.8174.85.500112Q500 L501 S506 T507 N508Q500-Q504 WeakPolarHBondContact O-CG 3.47Å; Q500-Q504 PolarHBondContact O-N 3.01Å; L501-Q504 PolarHBondContact O-N 2.92Å; Q504-S506 VanDerWaalsContact C-N 3.35Å; Q504-T507 PolarHBondContact O-N 3.4Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; Q504-N508 PolarHBondContact O-ND2 3.28Å; Q504-N508 VanDerWaalsContact O-ND2 3.07Å
505M59.7Low68.6Low92 Ų9290.8 Ų90.845%0.45353%0.528SS..Hα-helixtrans-66.5-33.8173.8-72.7-173.1-72.400112.8L501 L502 E503 T507 N508L501-M505 HydrophobicContact CB-CE 4.49Å; L501-M505 HydrophobicContact CD2-CE 4.16Å; L501-M505 HydrophobicContact CG-CE 4.16Å; L501-M505 WeakPolarHBondContact O-CB 3.33Å; L501-M505 WeakPolarHBondContact O-CE 3.27Å; L501-M505 WeakPolarHBondContact O-CG 3.41Å; L501-M505 PolarHBondContact O-N 3.48Å; L502-M505 HydrophobicContact CD2-CE 4.26Å; L502-M505 HydrophobicContact CG-CE 4.49Å; L502-M505 PolarHBondContact O-N 3.11Å; E503-M505 PolarHBondContact O-N 3.1Å; M505-T507 VanDerWaalsContact C-N 3.32Å; M505-T507 PolarHBondContact O-N 2.78Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.37Å
506S57.9Low68.3Low81 Ų8193.6 Ų93.657%0.56654%0.536SS*.Hα-helixtrans-62.8-36.3176.3-174.30000112.3L502 E503 Q504 N508L502-S506 VanDerWaalsContact O-CB 3.22Å; L502-S506 WeakPolarHBondContact O-CB 3.42Å; L502-S506 PolarHBondContact O-N 2.82Å; E503-S506 VanDerWaalsContact O-CB 3.32Å; E503-S506 WeakPolarHBondContact O-CB 3.26Å; E503-S506 PolarHBondContact O-N 3.42Å; E503-S506 VanDerWaalsContact O-N 3.12Å; Q504-S506 VanDerWaalsContact C-N 3.35Å; S506-N508 PolarHBondContact O-N 3.27Å
507T59.9Low68.1Low103 Ų10393.8 Ų93.863%0.63253%0.533SS*.THydrogen-bonded Turntrans-66.5-15.8173.466.70000113.9E503 Q504 M505 V509E503-T507 PolarHBondContact O-N 3.05Å; E503-T507 VanDerWaalsContact O-N 3.08Å; Q504-T507 PolarHBondContact O-N 3.4Å; Q504-T507 PolarHBondContact O-OG1 3.43Å; M505-T507 VanDerWaalsContact C-N 3.32Å; M505-T507 PolarHBondContact O-N 2.78Å; T507-V509 PolarHBondContact O-N 2.97Å
508N53.2Low67.8Low113 Ų11392.9 Ų92.960%0.60453%0.528SS*.SBendtrans-93.189.3175-71.9-72.9000110.3Q504 M505 S506 S510Q504-N508 PolarHBondContact O-ND2 3.28Å; Q504-N508 VanDerWaalsContact O-ND2 3.07Å; M505-N508 WeakPolarHBondContact O-CB 3.37Å; M505-N508 PolarHBondContact O-N 3.37Å; S506-N508 PolarHBondContact O-N 3.27Å; N508-S510 PolarHBondContact O-N 2.96Å
509V50.6Low67.6Low134 Ų13491.5 Ų91.581%0.81252%0.524SS*.G310 helixtrans-54.6-8.1-165.9-1770000116.3T507 N511T507-V509 PolarHBondContact O-N 2.97Å; V509-N511 PolarHBondContact O-N 3.37Å
510S56.3Low67.7Low110 Ų11093.5 Ų93.577%0.76953%0.528SS*.G310 helixtrans-69.5-30.8-173.7-51.30000115.8N508N508-S510 PolarHBondContact O-N 2.96Å
511N56Low67.9Low98 Ų9894 Ų9452%0.52453%0.53SS..G310 helixtrans-11920.4-158.5-70.8-8.9000115.1V509 S513 T514 V515V509-N511 PolarHBondContact O-N 3.37Å; N511-S513 VanDerWaalsContact C-N 3.28Å; N511-S513 PolarHBondContact O-N 3.01Å; N511-T514 PolarHBondContact O-N 3.14Å; N511-T514 PolarHBondContact O-OG1 3.02Å; N511-V515 PolarHBondContact O-N 2.96Å
512A56.1Low67.8Low65 Ų6593.6 Ų93.654%0.53753%0.528SS..Hα-helixtrans-53-34.9-167.400000115.8Q516A512-Q516 WeakPolarHBondContact O-CG 3.32Å; A512-Q516 PolarHBondContact O-N 2.93Å
513S69.1Low68.4Low90 Ų9095 Ų9563%0.62954%0.541SS*.Hα-helixtrans-70-36.817954.30000113.6N511 S517N511-S513 VanDerWaalsContact C-N 3.28Å; N511-S513 PolarHBondContact O-N 3.01Å; S513-S517 PolarHBondContact O-N 3.17Å
514T71.4Confident68.9Low77 Ų7793.4 Ų93.447%0.47253%0.533SS..Hα-helixtrans-73-35.9176.262.80000110.8N511 S517 L518N511-T514 PolarHBondContact O-N 3.14Å; N511-T514 PolarHBondContact O-OG1 3.02Å; T514-S517 PolarHBondContact O-N 2.99Å; T514-L518 WeakPolarHBondContact O-CG 3.41Å; T514-L518 PolarHBondContact O-N 3.3Å
515V66.3Low69.4Low30 Ų3091.1 Ų91.118%0.18253%0.533CS..Hα-helixtrans-63.6-45.4173.2-179.80000110.6L502 N511 S517 L518 V519L502-V515 HydrophobicContact CD2-CG1 4.37Å; N511-V515 PolarHBondContact O-N 2.96Å; V515-S517 VanDerWaalsContact C-N 3.34Å; V515-S517 PolarHBondContact O-N 2.84Å; V515-L518 PolarHBondContact O-N 3.43Å; V515-V519 HydrophobicContact CG1-CG2 4.41Å; V515-V519 WeakPolarHBondContact O-CB 3.24Å; V515-V519 WeakPolarHBondContact O-CG2 3.48Å; V515-V519 PolarHBondContact O-N 3.39Å
516Q74.7Confident70.4Confident144 Ų14492.2 Ų92.267%0.67354%0.54SS*.Hα-helixtrans-60-40.7173.5-79.2-175.9-21.500112.7A512 V519 Q520A512-Q516 WeakPolarHBondContact O-CG 3.32Å; A512-Q516 PolarHBondContact O-N 2.93Å; Q516-V519 PolarHBondContact O-N 3Å; Q516-Q520 WeakPolarHBondContact O-CB 3.27Å; Q516-Q520 PolarHBondContact O-N 3.37Å
517S78.1Confident71.6Confident60 Ų6090.9 Ų90.942%0.4253%0.53SS..Hα-helixtrans-63.8-42176.5-169.30000112.5S513 T514 V515 Q520 Q521S513-S517 PolarHBondContact O-N 3.17Å; T514-S517 PolarHBondContact O-N 2.99Å; V515-S517 VanDerWaalsContact C-N 3.34Å; V515-S517 PolarHBondContact O-N 2.84Å; S517-Q520 PolarHBondContact O-N 2.95Å; S517-Q521 WeakPolarHBondContact O-CG 3.39Å; S517-Q521 PolarHBondContact O-N 3.34Å; S517-Q521 PolarHBondContact OG-NE2 3.41Å
518L76.3Confident72.8Confident87 Ų8791.6 Ų91.646%0.45553%0.525SS..Hα-helixtrans-66.9-41.9175.6-74.9166.8000112.2T514 V515 Q520 Q521 I522T514-L518 WeakPolarHBondContact O-CG 3.41Å; T514-L518 PolarHBondContact O-N 3.3Å; V515-L518 PolarHBondContact O-N 3.43Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 2.83Å; L518-Q521 PolarHBondContact O-N 3.48Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.42Å; L518-I522 PolarHBondContact O-N 3.15Å
519V78.6Confident74.2Confident76 Ų7690.6 Ų90.646%0.46152%0.519SS..Hα-helixtrans-61.8-39.9174.4169.70000111.2V515 Q516 I522 S523V515-V519 HydrophobicContact CG1-CG2 4.41Å; V515-V519 WeakPolarHBondContact O-CB 3.24Å; V515-V519 WeakPolarHBondContact O-CG2 3.48Å; V515-V519 PolarHBondContact O-N 3.39Å; Q516-V519 PolarHBondContact O-N 3Å; V519-I522 PolarHBondContact O-N 2.81Å; V519-S523 WeakPolarHBondContact O-CB 3.41Å; V519-S523 PolarHBondContact O-N 3.48Å
520Q82.3Confident75.7Confident125 Ų12590.4 Ų90.458%0.58451%0.51SS*.Hα-helixtrans-62.6-43.9174.5-167.971.530.600111.7Q516 S517 L518 S523 E524Q516-Q520 WeakPolarHBondContact O-CB 3.27Å; Q516-Q520 PolarHBondContact O-N 3.37Å; S517-Q520 PolarHBondContact O-N 2.95Å; L518-Q520 VanDerWaalsContact C-N 3.32Å; L518-Q520 PolarHBondContact O-N 2.83Å; Q520-S523 PolarHBondContact O-N 3.49Å; Q520-E524 PolarHBondContact O-N 3.06Å
521Q82.4Confident77Confident117 Ų11790.3 Ų90.355%0.54750%0.497SS..Hα-helixtrans-65.9-40.5177.3-71.7173.338.200112.6S517 L518 S523 E524 A525S517-Q521 WeakPolarHBondContact O-CG 3.39Å; S517-Q521 PolarHBondContact O-N 3.34Å; S517-Q521 PolarHBondContact OG-NE2 3.41Å; L518-Q521 PolarHBondContact O-N 3.48Å; Q521-S523 VanDerWaalsContact C-N 3.35Å; Q521-E524 PolarHBondContact O-N 3.38Å; Q521-A525 WeakPolarHBondContact O-CB 3.45Å; Q521-A525 PolarHBondContact O-N 2.74Å
522I78.2Confident78.3Confident83 Ų8391.4 Ų91.443%0.42650%0.497SS..Hα-helixtrans-64.2-41.3174.7-68.8164.3000110.4L502 L518 V519 A525 L526L502-I522 HydrophobicContact CD1-CD1 4.28Å; L518-I522 VanDerWaalsContact O-CG1 3.28Å; L518-I522 WeakPolarHBondContact O-CG1 3.42Å; L518-I522 PolarHBondContact O-N 3.15Å; V519-I522 PolarHBondContact O-N 2.81Å; I522-A525 PolarHBondContact O-N 2.89Å; I522-L526 HydrophobicContact CG2-CD1 4.03Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CB 3.5Å; I522-L526 WeakPolarHBondContact O-CG 3.35Å; I522-L526 PolarHBondContact O-N 3.05Å
523S82.2Confident79.3Confident70 Ų7095.8 Ų95.849%0.4950%0.5SS..Hα-helixtrans-63-43.3175.9-166.10000112.2V519 Q520 Q521 L526 S527V519-S523 WeakPolarHBondContact O-CB 3.41Å; V519-S523 PolarHBondContact O-N 3.48Å; Q520-S523 PolarHBondContact O-N 3.49Å; Q521-S523 VanDerWaalsContact C-N 3.35Å; S523-L526 PolarHBondContact O-N 3.4Å; S523-S527 PolarHBondContact O-N 3.32Å
524E84.6Confident80Confident100 Ų10097.3 Ų97.347%0.46750%0.497SS..Hα-helixtrans-62-43.2171.7-91.8-163.1-158.500112.8Q520 Q521 L526 S527 K528Q520-E524 PolarHBondContact O-N 3.06Å; Q521-E524 PolarHBondContact O-N 3.38Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.76Å; E524-S527 PolarHBondContact O-N 3.04Å; E524-K528 WeakPolarHBondContact O-CB 3.27Å; E524-K528 WeakPolarHBondContact O-CD 3.49Å; E524-K528 WeakPolarHBondContact O-CG 3.15Å; E524-K528 PolarHBondContact O-N 3.02Å; E524-K528 IonicContact OE2-NZ 2.9Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å
525A83.2Confident80.5Confident58 Ų5897.4 Ų97.448%0.47950%0.498SS..Hα-helixtrans-63.9-40.1-18000000111.7Q521 I522 N529Q521-A525 WeakPolarHBondContact O-CB 3.45Å; Q521-A525 PolarHBondContact O-N 2.74Å; I522-A525 PolarHBondContact O-N 2.89Å; A525-N529 WeakPolarHBondContact O-CB 3.34Å; A525-N529 PolarHBondContact O-N 2.79Å
526L81.2Confident81.1Confident115 Ų11599 Ų9960%0.60251%0.505SS*.Hα-helixtrans-65.6-42.4173.7-71.5170000111.9I522 S523 E524 N529 Q530I522-L526 HydrophobicContact CG2-CD1 4.03Å; I522-L526 HydrophobicContact CG2-CG 4.5Å; I522-L526 WeakPolarHBondContact O-CB 3.5Å; I522-L526 WeakPolarHBondContact O-CG 3.35Å; I522-L526 PolarHBondContact O-N 3.05Å; S523-L526 PolarHBondContact O-N 3.4Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.76Å; L526-N529 PolarHBondContact O-N 2.79Å; L526-Q530 WeakPolarHBondContact O-CB 3.47Å; L526-Q530 PolarHBondContact O-N 2.93Å
527S82.8Confident81.1Confident53 Ų5395.1 Ų95.137%0.37150%0.498SS..Hα-helixtrans-60.9-47175.4-162.30000111.7S523 E524 N529 Q530 E531S523-S527 PolarHBondContact O-N 3.32Å; E524-S527 PolarHBondContact O-N 3.04Å; S527-N529 VanDerWaalsContact C-N 3.32Å; S527-N529 PolarHBondContact O-N 2.83Å; S527-Q530 PolarHBondContact O-N 2.91Å; S527-E531 WeakPolarHBondContact O-CG 3.4Å; S527-E531 PolarHBondContact O-N 3.29Å; S527-E531 PolarHBondContact OG-OE1 3.25Å
528K85.4Confident81.1Confident119 Ų11994.9 Ų94.952%0.51750%0.499SS..Hα-helixtrans-63-36.5177.9-73.1162.2178.21650112.4E524 F532E524-K528 WeakPolarHBondContact O-CB 3.27Å; E524-K528 WeakPolarHBondContact O-CD 3.49Å; E524-K528 WeakPolarHBondContact O-CG 3.15Å; E524-K528 PolarHBondContact O-N 3.02Å; E524-K528 IonicContact OE2-NZ 2.9Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å; K528-F532 WeakPolarHBondContact O-CB 3.47Å; K528-F532 PolarHBondContact O-N 3.47Å
529N82.2Confident81Confident92 Ų9294.7 Ų94.749%0.49250%0.499SS..Hα-helixtrans-67.8-42.9174.1-162.4-55.9000111.1A525 L526 S527 E531 F532 W533A525-N529 WeakPolarHBondContact O-CB 3.34Å; A525-N529 PolarHBondContact O-N 2.79Å; L526-N529 PolarHBondContact O-N 2.79Å; S527-N529 VanDerWaalsContact C-N 3.32Å; S527-N529 PolarHBondContact O-N 2.83Å; N529-E531 PolarHBondContact O-N 2.84Å; N529-F532 PolarHBondContact O-N 3.47Å; N529-W533 VanDerWaalsContact O-CD1 3.23Å; N529-W533 PolarHBondContact O-N 2.94Å; N529-W533 VanDerWaalsContact O-N 3.09Å; N529-W533 PolarHBondContact OD1-NE1 3.4Å; N529-W533 VanDerWaalsContact OD1-NE1 3.12Å
530Q82.2Confident80.4Confident130 Ų13095.4 Ų95.461%0.60750%0.5SS*.Hα-helixtrans-65.5-35.1175.9-168.3-178.94.100112.9L526 S527 Q534L526-Q530 WeakPolarHBondContact O-CB 3.47Å; L526-Q530 PolarHBondContact O-N 2.93Å; S527-Q530 PolarHBondContact O-N 2.91Å; Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 3.16Å; Q530-Q534 PolarHBondContact O-NE2 3.06Å
531E82.8Confident79.8Confident107 Ų10797.4 Ų97.450%0.551%0.506SS..Hα-helixtrans-66.2-47171.6-75.9165.8-162.300111.1S527 N529 W533 Q534 T535S527-E531 WeakPolarHBondContact O-CG 3.4Å; S527-E531 PolarHBondContact O-N 3.29Å; S527-E531 PolarHBondContact OG-OE1 3.25Å; N529-E531 PolarHBondContact O-N 2.84Å; E531-W533 PolarHBondContact O-N 3.21Å; E531-Q534 WeakPolarHBondContact O-CB 3.27Å; E531-Q534 PolarHBondContact O-N 2.71Å; E531-T535 PolarHBondContact O-N 3.31Å; E531-T535 PolarHBondContact O-OG1 2.93Å
532F84.1Confident78.7Confident122 Ų12293.7 Ų93.754%0.53550%0.496SS..Hα-helixtrans-55.1-46.9176.7174.6-98000112.6K528 N529 Q534 T535 L536K528-F532 WeakPolarHBondContact O-CB 3.47Å; K528-F532 PolarHBondContact O-N 3.47Å; N529-F532 PolarHBondContact O-N 3.47Å; F532-Q534 VanDerWaalsContact C-N 3.33Å; F532-Q534 PolarHBondContact O-N 3.44Å; F532-T535 PolarHBondContact O-N 3.03Å; F532-L536 HydrophobicContact CE1-CD2 4.49Å; F532-L536 WeakPolarHBondContact O-CB 3.33Å; F532-L536 PolarHBondContact O-N 2.97Å
533W78Confident77.6Confident157 Ų15796 Ų9660%0.59551%0.508SS*.Hα-helixtrans-66.5-31.5176.2-75.2108.6000113.4N529 E531 L536 A537N529-W533 VanDerWaalsContact O-CD1 3.23Å; N529-W533 PolarHBondContact O-N 2.94Å; N529-W533 VanDerWaalsContact O-N 3.09Å; N529-W533 PolarHBondContact OD1-NE1 3.4Å; N529-W533 VanDerWaalsContact OD1-NE1 3.12Å; E531-W533 PolarHBondContact O-N 3.21Å; W533-L536 HydrophobicContact CE3-CD2 3.89Å; W533-L536 HydrophobicContact CZ3-CD2 3.71Å; W533-A537 WeakPolarHBondContact O-CB 3.33Å; W533-A537 PolarHBondContact O-N 3.21Å
534Q82Confident76Confident121 Ų12199.4 Ų99.457%0.56552%0.521SS*.Hα-helixtrans-69.8-40.8173-78.8176.87600112.1Q530 E531 F532 A537 A538Q530-Q534 WeakPolarHBondContact O-CG 3.49Å; Q530-Q534 PolarHBondContact O-N 3.16Å; Q530-Q534 PolarHBondContact O-NE2 3.06Å; E531-Q534 WeakPolarHBondContact O-CB 3.27Å; E531-Q534 PolarHBondContact O-N 2.71Å; F532-Q534 VanDerWaalsContact C-N 3.33Å; F532-Q534 PolarHBondContact O-N 3.44Å; Q534-A537 PolarHBondContact O-N 2.91Å; Q534-A538 WeakPolarHBondContact O-CB 3.49Å; Q534-A538 PolarHBondContact O-N 3.41Å
535T82.8Confident74.2Confident79 Ų7998.4 Ų98.449%0.48553%0.53SS..Hα-helixtrans-63.5-49173.8-56.80000110.7E531 F532 A537 A538 D539E531-T535 PolarHBondContact O-N 3.31Å; E531-T535 PolarHBondContact O-OG1 2.93Å; F532-T535 PolarHBondContact O-N 3.03Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.29Å; T535-A538 CarbonylContact O-C 3.56Å; T535-A538 WeakPolarHBondContact O-CA 3.46Å; T535-A538 WeakPolarHBondContact O-CB 3.42Å; T535-A538 PolarHBondContact O-N 3.42Å; T535-D539 PolarHBondContact O-N 3.04Å
536L78.8Confident72.2Confident65 Ų65101.8 Ų101.834%0.3454%0.539SS..Hα-helixtrans-60.3-36.6178-16675000112.4F532 W533 N540F532-L536 HydrophobicContact CE1-CD2 4.49Å; F532-L536 WeakPolarHBondContact O-CB 3.33Å; F532-L536 PolarHBondContact O-N 2.97Å; W533-L536 HydrophobicContact CE3-CD2 3.89Å; W533-L536 HydrophobicContact CZ3-CD2 3.71Å; L536-N540 WeakPolarHBondContact O-CB 3.29Å; L536-N540 PolarHBondContact O-N 3.4Å; L536-N540 PolarHBondContact O-ND2 2.82Å
537A75.5Confident70Confident62 Ų62100.7 Ų100.751%0.51255%0.547SS..Hα-helixtrans-72-31.217400000113.1W533 Q534 T535 K541W533-A537 WeakPolarHBondContact O-CB 3.33Å; W533-A537 PolarHBondContact O-N 3.21Å; Q534-A537 PolarHBondContact O-N 2.91Å; T535-A537 VanDerWaalsContact C-N 3.27Å; T535-A537 PolarHBondContact O-N 3.29Å; A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.5Å
538A77Confident68Low54 Ų54103.6 Ų103.645%0.44657%0.565SS.*Hα-helixtrans-71.9-42.7172.700000111.6Q534 T535 K541 A542Q534-A538 WeakPolarHBondContact O-CB 3.49Å; Q534-A538 PolarHBondContact O-N 3.41Å; T535-A538 CarbonylContact O-C 3.56Å; T535-A538 WeakPolarHBondContact O-CA 3.46Å; T535-A538 WeakPolarHBondContact O-CB 3.42Å; T535-A538 PolarHBondContact O-N 3.42Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.36Å; A538-K541 VanDerWaalsContact O-CB 3.25Å; A538-K541 WeakPolarHBondContact O-CB 3.49Å; A538-K541 PolarHBondContact O-N 2.85Å; A538-A542 PolarHBondContact O-N 3.36Å
539D75Confident65.5Low84 Ų84106.8 Ų106.845%0.44958%0.581SS.*Hα-helixtrans-67.4-40.4179-69.3-22.8000111.8T535 K541 A542 L543T535-D539 PolarHBondContact O-N 3.04Å; D539-K541 PolarHBondContact O-N 2.9Å; D539-A542 PolarHBondContact O-N 3.2Å; D539-A542 VanDerWaalsContact O-N 3.13Å; D539-L543 WeakPolarHBondContact O-CB 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.33Å; D539-L543 PolarHBondContact O-N 3.27Å
540N65.1Low63.1Low90 Ų90109.5 Ų109.548%0.48159%0.589SS.*Hα-helixtrans-57.6-33.5168.7-90.8-89.1000112.1L536 N544L536-N540 WeakPolarHBondContact O-CB 3.29Å; L536-N540 PolarHBondContact O-N 3.4Å; L536-N540 PolarHBondContact O-ND2 2.82Å; N540-N544 WeakPolarHBondContact O-CB 3.34Å; N540-N544 PolarHBondContact O-N 2.8Å; N540-N544 PolarHBondContact O-ND2 3.47Å
541K71.2Confident61Low167 Ų167109.1 Ų109.173%0.72660%0.597SS**Hα-helixtrans-78.4-30.6177.5-143.9170.3-170.9173.20112.6A537 A538 D539 A545A537-K541 WeakPolarHBondContact O-CB 3.46Å; A537-K541 PolarHBondContact O-N 3.5Å; A538-K541 CarbonylContact O-C 3.59Å; A538-K541 WeakPolarHBondContact O-CA 3.36Å; A538-K541 VanDerWaalsContact O-CB 3.25Å; A538-K541 WeakPolarHBondContact O-CB 3.49Å; A538-K541 PolarHBondContact O-N 2.85Å; D539-K541 PolarHBondContact O-N 2.9Å; K541-A545 WeakPolarHBondContact O-CB 3.43Å; K541-A545 PolarHBondContact O-N 3.36Å
542A59.3Low58.5Low39 Ų39107 Ų10732%0.32261%0.605SS.*Hα-helixtrans-73.7-44.1174.500000111.6A538 D539 N544 A545 L546A538-A542 PolarHBondContact O-N 3.36Å; D539-A542 PolarHBondContact O-N 3.2Å; D539-A542 VanDerWaalsContact O-N 3.13Å; A542-N544 PolarHBondContact O-N 2.85Å; A542-A545 CarbonylContact O-C 3.55Å; A542-A545 WeakPolarHBondContact O-CA 3.48Å; A542-A545 PolarHBondContact O-N 2.84Å; A542-L546 HydrophobicContact CB-CD1 4.38Å; A542-L546 WeakPolarHBondContact O-CB 3.41Å; A542-L546 WeakPolarHBondContact O-CG 3.43Å; A542-L546 PolarHBondContact O-N 3.38Å
543L53.5Low56Low131 Ų131108.9 Ų108.969%0.68662%0.62SS**Hα-helixtrans-58.5-45.3174.3-75.9164.1000111.5D539 A545 L546D539-L543 WeakPolarHBondContact O-CB 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.33Å; D539-L543 PolarHBondContact O-N 3.27Å; L543-A545 PolarHBondContact O-N 2.94Å; L543-A545 VanDerWaalsContact O-N 3.14Å; L543-L546 PolarHBondContact O-N 3.4Å
544N48.8Very low54Low143 Ų143109.7 Ų109.777%0.76564%0.635SS**THydrogen-bonded Turntrans-66.4-8.7172.7-82.3-77.5000114.4N540 A542N540-N544 WeakPolarHBondContact O-CB 3.34Å; N540-N544 PolarHBondContact O-N 2.8Å; N540-N544 PolarHBondContact O-ND2 3.47Å; A542-N544 PolarHBondContact O-N 2.85Å
545A47.1Very low51.7Low79 Ų79110.3 Ų110.365%0.65364%0.642SS**THydrogen-bonded Turntrans-111.8-2.5179.300000114.1K541 A542 L543K541-A545 WeakPolarHBondContact O-CB 3.43Å; K541-A545 PolarHBondContact O-N 3.36Å; A542-A545 CarbonylContact O-C 3.55Å; A542-A545 WeakPolarHBondContact O-CA 3.48Å; A542-A545 PolarHBondContact O-N 2.84Å; L543-A545 PolarHBondContact O-N 2.94Å; L543-A545 VanDerWaalsContact O-N 3.14Å
546L41.4Very low49.2Very low128 Ų128114.6 Ų114.667%0.6766%0.656SS**  trans-118.515.1-170.9-79.2167.5000114.8A542 L543 P548A542-L546 HydrophobicContact CB-CD1 4.38Å; A542-L546 WeakPolarHBondContact O-CB 3.41Å; A542-L546 WeakPolarHBondContact O-CG 3.43Å; A542-L546 PolarHBondContact O-N 3.38Å; L543-L546 PolarHBondContact O-N 3.4Å; L546-P548 WeakPolarHBondContact O-CG 3.27Å
547A35.2Very low47.2Very low93 Ų93117.8 Ų117.877%0.76968%0.678SS**PPolyproline II helixtrans-57.4120.6171.200000110.4
548P41.3Very low45.1Very low114 Ų114122.9 Ų122.974%0.7469%0.691SS**PPolyproline II helixtrans-90.4167.6-143.1-11.930.7000116L546L546-P548 WeakPolarHBondContact O-CG 3.27Å
549Q31.5Very low43.1Very low186 Ų186128.8 Ų128.887%0.86971%0.71SS**PPolyproline II helixtrans-101.7149.1162.8-65.1-161.423.400111.4P551Q549-P551 WeakPolarHBondContact O-CD 3.35Å
550K31.9Very low41.4Very low149 Ų149130.3 Ų130.365%0.64872%0.722SS**  trans-82.6114.6-170.1-164.9176.7-161.4168.50111.1E598K550-E598 IonicContact NZ-OE1 2.81Å; K550-E598 PolarHBondContact NZ-OE1 3.49Å
551P38.4Very low40.2Very low121 Ų121131.7 Ų131.779%0.78674%0.736SS**  trans-82.1163.3158.935.7-32.2000109.8Q549Q549-P551 WeakPolarHBondContact O-CD 3.35Å
552G30.7Very low38.5Very low64 Ų64131.2 Ų131.266%0.6674%0.74SS**  trans-147.3165.5178.100000113.4
553N32.3Very low38Very low160 Ų160136.9 Ų136.986%0.85677%0.765SS**  trans67.4114.8172-53.3-0.8000117
554L34.9Very low37.5Very low174 Ų174136.4 Ų136.491%0.91177%0.77SS**  trans-147.7156.9133.3-141.572.8000111.9
555L34.2Very low37.1Very low135 Ų135131.8 Ų131.871%0.70775%0.752SS**  trans-83135.6-164.5-94.261.1000114.8
556E29.5Very low37.6Very low168 Ų168131.4 Ų131.479%0.78574%0.744SS**  40.4110.5112.4-172.6179-126.900118.7
557V38.5Very low38.6Very low133 Ų133130 Ų13081%0.80674%0.743SS**  trans-141.5116.4151.9-179.50000109.6
558E30.1Very low39.8Very low168 Ų168132.9 Ų132.979%0.78574%0.742SS**  trans-99.8130.6176.2-179.4-169.1173.400110.7
559Q36.2Very low41Very low179 Ų179130.2 Ų130.284%0.83672%0.724SS**  trans-144.3148165-70.7-160.74.100113.2
560V38.6Very low42.8Very low115 Ų115127.6 Ų127.670%0.69771%0.71SS**  trans-101138.4-163.4178.80000113
561P40.8Very low44.6Very low119 Ų119126.3 Ų126.377%0.77371%0.709SS**  trans-101.5133167.435.1-28.6000113.4
562L35.5Very low46.4Very low157 Ų157126 Ų12682%0.82270%0.696SS**  trans-139.897.9171-95.2172.8000111.4
563N46.9Very low48.4Very low158 Ų158126.9 Ų126.985%0.84569%0.685SS**SBendtrans-179155.5146.2-101.8-41.2000111.1
564P44.2Very low50.5Low121 Ų121123.2 Ų123.279%0.78667%0.665SS**PPolyproline II helixtrans-70.3138-174.728-34.2000113
565A40.8Very low52.6Low46 Ų46117.3 Ų117.338%0.3864%0.642SS.*PPolyproline II helixtrans-72.5133.6-171.400000114.1T569 K570A565-T569 HydrophobicContact CB-CG2 4.36Å; A565-K570 HydrophobicContact CB-CG 3.84Å
566S56.2Low54.6Low71 Ų71114.2 Ų114.250%0.49762%0.624SS.*PPolyproline II helixtrans-70.4156.8158.4-1760000109.5M568 T569 K570S566-M568 PolarHBondContact O-N 2.85Å; S566-M568 VanDerWaalsContact O-N 3.15Å; S566-T569 PolarHBondContact N-OG1 3.49Å; S566-T569 WeakPolarHBondContact O-CA 3.48Å; S566-T569 VanDerWaalsContact O-CB 3.28Å; S566-T569 WeakPolarHBondContact O-CB 3.43Å; S566-T569 PolarHBondContact O-N 2.88Å; S566-T569 PolarHBondContact O-OG1 2.78Å; S566-K570 PolarHBondContact O-N 3.44Å
567P63.4Low57.2Low99 Ų99112 Ų11264%0.64361%0.612SS**Hα-helixtrans-55.3-35-179.5-28.836.7000114.2T569 K570 L571P567-T569 VanDerWaalsContact C-N 3.28Å; P567-T569 PolarHBondContact O-N 3.28Å; P567-K570 PolarHBondContact O-N 2.86Å; P567-L571 PolarHBondContact O-N 3.5Å; P567-L571 VanDerWaalsContact O-N 3.08Å
568M59.9Low59.2Low153 Ų153112.8 Ų112.875%0.75460%0.601SS**Hα-helixtrans-64.2-32.6173.3-163.87169.600112.6S566 K572S566-M568 PolarHBondContact O-N 2.85Å; S566-M568 VanDerWaalsContact O-N 3.15Å; M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.3Å; M568-K572 VanDerWaalsContact O-N 3.1Å
569T66.8Low61.8Low59 Ų59111.8 Ų111.836%0.36259%0.59SS.*Hα-helixtrans-75.6-34.6176.1-36.20000111.2A565 S566 P567 K572 N573A565-T569 HydrophobicContact CB-CG2 4.36Å; S566-T569 PolarHBondContact N-OG1 3.49Å; S566-T569 WeakPolarHBondContact O-CA 3.48Å; S566-T569 VanDerWaalsContact O-CB 3.28Å; S566-T569 WeakPolarHBondContact O-CB 3.43Å; S566-T569 PolarHBondContact O-N 2.88Å; S566-T569 PolarHBondContact O-OG1 2.78Å; P567-T569 VanDerWaalsContact C-N 3.28Å; P567-T569 PolarHBondContact O-N 3.28Å; T569-K572 PolarHBondContact O-N 2.98Å; T569-N573 WeakPolarHBondContact O-CB 3.37Å; T569-N573 PolarHBondContact O-N 2.96Å; T569-N573 PolarHBondContact O-OD1 3.1Å
570K68.4Low64.1Low130 Ų130108 Ų10857%0.56558%0.576SS**Hα-helixtrans-59.9-59.1170-71.6-163.4172.9-166.60110.6A565 S566 P567 K572 N573 D574A565-K570 HydrophobicContact CB-CG 3.84Å; S566-K570 PolarHBondContact O-N 3.44Å; P567-K570 PolarHBondContact O-N 2.86Å; K570-K572 PolarHBondContact O-N 2.92Å; K570-N573 CarbonylContact O-C 3.57Å; K570-N573 WeakPolarHBondContact O-CA 3.44Å; K570-N573 WeakPolarHBondContact O-CB 3.36Å; K570-N573 PolarHBondContact O-N 3.33Å; K570-D574 PolarHBondContact O-N 2.87Å
571L70.9Confident66.1Low123 Ų123106.9 Ų106.964%0.64456%0.563SS**Hα-helixtrans-53-35.2177.6-100.1131.5000113.9P567 A575P567-L571 PolarHBondContact O-N 3.5Å; P567-L571 VanDerWaalsContact O-N 3.08Å; L571-A575 VanDerWaalsContact O-CB 3.22Å; L571-A575 WeakPolarHBondContact O-CB 3.44Å; L571-A575 PolarHBondContact O-N 2.9Å
572K76.1Confident68.2Low114 Ų114104.9 Ų104.950%0.49655%0.549SS..Hα-helixtrans-68.6-47.6173.3-175.8179.1174.9-69.90112.1M568 T569 K570 D574 A575 E576M568-K572 WeakPolarHBondContact O-CB 3.31Å; M568-K572 PolarHBondContact O-N 3.3Å; M568-K572 VanDerWaalsContact O-N 3.1Å; T569-K572 PolarHBondContact O-N 2.98Å; K570-K572 PolarHBondContact O-N 2.92Å; K572-D574 VanDerWaalsContact C-N 3.32Å; K572-D574 PolarHBondContact O-N 3.35Å; K572-A575 CarbonylContact O-C 3.48Å; K572-A575 PolarHBondContact O-N 3.17Å; K572-E576 WeakPolarHBondContact CE-OE1 3.35Å; K572-E576 IonicContact NZ-OE1 3.36Å; K572-E576 PolarHBondContact NZ-OE1 3.38Å; K572-E576 IonicContact NZ-OE2 2.83Å; K572-E576 PolarHBondContact NZ-OE2 3.18Å; K572-E576 WeakPolarHBondContact O-CB 3.43Å; K572-E576 WeakPolarHBondContact O-CG 3.5Å; K572-E576 PolarHBondContact O-N 3.5Å
573N72.8Confident70.5Confident83 Ų83102.9 Ų102.944%0.44454%0.535SS..Hα-helixtrans-63.4-37.8177.3-67.510.6000111.6T569 K570 E576 F577T569-N573 WeakPolarHBondContact O-CB 3.37Å; T569-N573 PolarHBondContact O-N 2.96Å; T569-N573 PolarHBondContact O-OD1 3.1Å; K570-N573 CarbonylContact O-C 3.57Å; K570-N573 WeakPolarHBondContact O-CA 3.44Å; K570-N573 WeakPolarHBondContact O-CB 3.36Å; K570-N573 PolarHBondContact O-N 3.33Å; N573-E576 PolarHBondContact O-N 2.89Å; N573-F577 WeakPolarHBondContact O-CB 3.49Å; N573-F577 PolarHBondContact O-N 3.15Å
574D76.4Confident72.3Confident82 Ų82100.6 Ų100.644%0.43952%0.522SS..Hα-helixtrans-66.9-42.7177.2-53.5-33.4000110.2K570 K572 E576 F577 Y578K570-D574 PolarHBondContact O-N 2.87Å; K572-D574 VanDerWaalsContact C-N 3.32Å; K572-D574 PolarHBondContact O-N 3.35Å; D574-E576 VanDerWaalsContact C-N 3.25Å; D574-E576 PolarHBondContact O-N 2.88Å; D574-F577 PolarHBondContact O-N 3.31Å; D574-Y578 WeakPolarHBondContact O-CD2 3.5Å; D574-Y578 PolarHBondContact O-N 2.95Å
575A77.5Confident74.1Confident50 Ų5099.8 Ų99.841%0.41351%0.51SS..Hα-helixtrans-75.2-7.6174.300000114.7L571 K572 R579L571-A575 VanDerWaalsContact O-CB 3.22Å; L571-A575 WeakPolarHBondContact O-CB 3.44Å; L571-A575 PolarHBondContact O-N 2.9Å; K572-A575 CarbonylContact O-C 3.48Å; K572-A575 PolarHBondContact O-N 3.17Å; A575-R579 PolarHBondContact O-NH2 2.85Å
576E78Confident76.2Confident70 Ų70105.7 Ų105.733%0.32752%0.523SS..Hα-helixtrans-91.8-45.5166.5-76.1170.8156.400109.4K572 N573 D574 Y578 R579 D580K572-E576 WeakPolarHBondContact CE-OE1 3.35Å; K572-E576 IonicContact NZ-OE1 3.36Å; K572-E576 PolarHBondContact NZ-OE1 3.38Å; K572-E576 IonicContact NZ-OE2 2.83Å; K572-E576 PolarHBondContact NZ-OE2 3.18Å; K572-E576 WeakPolarHBondContact O-CB 3.43Å; K572-E576 WeakPolarHBondContact O-CG 3.5Å; K572-E576 PolarHBondContact O-N 3.5Å; N573-E576 PolarHBondContact O-N 2.89Å; D574-E576 VanDerWaalsContact C-N 3.25Å; D574-E576 PolarHBondContact O-N 2.88Å; E576-Y578 PolarHBondContact O-N 2.88Å; E576-R579 CarbonylContact O-C 3.48Å; E576-R579 WeakPolarHBondContact O-CA 3.38Å; E576-R579 VanDerWaalsContact O-CB 3.29Å; E576-R579 WeakPolarHBondContact O-CB 3.44Å; E576-R579 PolarHBondContact O-N 3.43Å; E576-D580 PolarHBondContact O-N 2.93Å
577F82.9Confident77.5Confident122 Ų122108.7 Ų108.754%0.53553%0.529SS..Hα-helixtrans-53.1-47172175.4-94.8000113.5N573 D574 R579 D580 Q581N573-F577 WeakPolarHBondContact O-CB 3.49Å; N573-F577 PolarHBondContact O-N 3.15Å; D574-F577 PolarHBondContact O-N 3.31Å; F577-R579 VanDerWaalsContact C-N 3.29Å; F577-R579 PolarHBondContact O-N 2.92Å; F577-D580 PolarHBondContact O-N 2.87Å; F577-Q581 WeakPolarHBondContact O-CB 3.49Å; F577-Q581 PolarHBondContact O-N 2.65Å
578Y80.9Confident78.3Confident149 Ų149109.1 Ų109.158%0.58452%0.523SS*.Hα-helixtrans-68.8-26.4175.5-71.7-59.2000113.4D574 E576 V582D574-Y578 WeakPolarHBondContact O-CD2 3.5Å; D574-Y578 PolarHBondContact O-N 2.95Å; E576-Y578 PolarHBondContact O-N 2.88Å; Y578-V582 WeakPolarHBondContact O-CB 3.46Å; Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.48Å; Y578-V582 PolarHBondContact O-N 3.19Å; Y578-V582 VanDerWaalsContact O-N 3.1Å
579R85.1Confident79.4Confident148 Ų148104.5 Ų104.556%0.55851%0.508SS*.Hα-helixtrans-71.9-49.4174.2-172.3-166.3-45.6-79.7-18.8109.8A575 E576 F577 Q581 V582 E583A575-R579 PolarHBondContact O-NH2 2.85Å; E576-R579 CarbonylContact O-C 3.48Å; E576-R579 WeakPolarHBondContact O-CA 3.38Å; E576-R579 VanDerWaalsContact O-CB 3.29Å; E576-R579 WeakPolarHBondContact O-CB 3.44Å; E576-R579 PolarHBondContact O-N 3.43Å; F577-R579 VanDerWaalsContact C-N 3.29Å; F577-R579 PolarHBondContact O-N 2.92Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; R579-V582 CarbonylContact O-C 3.54Å; R579-V582 PolarHBondContact O-N 3.12Å; R579-V582 VanDerWaalsContact O-N 3.11Å; R579-E583 WeakPolarHBondContact O-CB 3.49Å; R579-E583 PolarHBondContact O-N 3.32Å
580D84.9Confident80.3Confident98 Ų98106.6 Ų106.652%0.52452%0.518SS..Hα-helixtrans-60.5-37.5177.6-60.4-2.2000110.7E576 F577 E583 L584E576-D580 PolarHBondContact O-N 2.93Å; F577-D580 PolarHBondContact O-N 2.87Å; D580-E583 PolarHBondContact O-N 3.46Å; D580-L584 VanDerWaalsContact O-CB 3.27Å; D580-L584 WeakPolarHBondContact O-CB 3.47Å; D580-L584 PolarHBondContact O-N 2.93Å
581Q80.7Confident81Confident92 Ų92104.7 Ų104.743%0.4351%0.511SS..Hα-helixtrans-67.7-39.9173.9-171.6173.442.700112.7F577 R579 L585F577-Q581 WeakPolarHBondContact O-CB 3.49Å; F577-Q581 PolarHBondContact O-N 2.65Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; Q581-L585 HydrophobicContact CG-CD1 4.41Å; Q581-L585 WeakPolarHBondContact O-CB 3.5Å; Q581-L585 VanDerWaalsContact O-CG 3.27Å; Q581-L585 WeakPolarHBondContact O-CG 3.31Å; Q581-L585 PolarHBondContact O-N 3.5Å
582V83.7Confident81.5Confident78 Ų78104.8 Ų104.847%0.47351%0.508SS..Hα-helixtrans-71-32174.3167.30000111.8Y578 R579 R586Y578-V582 WeakPolarHBondContact O-CB 3.46Å; Y578-V582 VanDerWaalsContact O-CG2 3.29Å; Y578-V582 WeakPolarHBondContact O-CG2 3.48Å; Y578-V582 PolarHBondContact O-N 3.19Å; Y578-V582 VanDerWaalsContact O-N 3.1Å; R579-V582 CarbonylContact O-C 3.54Å; R579-V582 PolarHBondContact O-N 3.12Å; R579-V582 VanDerWaalsContact O-N 3.11Å; V582-R586 WeakPolarHBondContact O-CB 3.32Å; V582-R586 VanDerWaalsContact O-CG 3.24Å; V582-R586 WeakPolarHBondContact O-CG 3.32Å; V582-R586 PolarHBondContact O-N 2.93Å
583E84.3Confident81.8Confident115 Ų115105.7 Ų105.754%0.53751%0.514SS..Hα-helixtrans-71.9-41.9175.3-164.1145.7-154.600110.6R579 D580 R586 E587R579-E583 WeakPolarHBondContact O-CB 3.49Å; R579-E583 PolarHBondContact O-N 3.32Å; D580-E583 PolarHBondContact O-N 3.46Å; E583-R586 CarbonylContact O-C 3.57Å; E583-R586 WeakPolarHBondContact O-CB 3.49Å; E583-R586 PolarHBondContact O-N 2.99Å; E583-R586 VanDerWaalsContact O-N 3.15Å; E583-E587 PolarHBondContact O-N 3.43Å
584L83.5Confident82.4Confident109 Ų109105.1 Ų105.157%0.57151%0.51SS*.Hα-helixtrans-62.9-41.5171.6-172.770.2000112.6D580 R586 E587 E588D580-L584 VanDerWaalsContact O-CB 3.27Å; D580-L584 WeakPolarHBondContact O-CB 3.47Å; D580-L584 PolarHBondContact O-N 2.93Å; L584-R586 VanDerWaalsContact C-N 3.27Å; L584-R586 PolarHBondContact O-N 2.86Å; L584-E587 PolarHBondContact O-N 3.41Å; L584-E588 WeakPolarHBondContact O-CB 3.29Å; L584-E588 PolarHBondContact O-N 2.92Å
585L83.2Confident82.5Confident104 Ų104108.6 Ų108.655%0.54552%0.517SS..Hα-helixtrans-66.6-28.8174.4-75.3169.3000112.4Q581 A589Q581-L585 HydrophobicContact CG-CD1 4.41Å; Q581-L585 WeakPolarHBondContact O-CB 3.5Å; Q581-L585 VanDerWaalsContact O-CG 3.27Å; Q581-L585 WeakPolarHBondContact O-CG 3.31Å; Q581-L585 PolarHBondContact O-N 3.5Å; L585-A589 VanDerWaalsContact O-CB 3.27Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 2.84Å
586R84Confident82.4Confident171 Ų171108.4 Ų108.465%0.64551%0.513SS*.Hα-helixtrans-72.5-44.8170.6-77168.4173.3-78.2-4.1111.5V582 E583 L584 E588 A589 D590V582-R586 WeakPolarHBondContact O-CB 3.32Å; V582-R586 VanDerWaalsContact O-CG 3.24Å; V582-R586 WeakPolarHBondContact O-CG 3.32Å; V582-R586 PolarHBondContact O-N 2.93Å; E583-R586 CarbonylContact O-C 3.57Å; E583-R586 WeakPolarHBondContact O-CB 3.49Å; E583-R586 PolarHBondContact O-N 2.99Å; E583-R586 VanDerWaalsContact O-N 3.15Å; L584-R586 VanDerWaalsContact C-N 3.27Å; L584-R586 PolarHBondContact O-N 2.86Å; R586-E588 VanDerWaalsContact C-N 3.33Å; R586-E588 PolarHBondContact O-N 2.9Å; R586-A589 PolarHBondContact O-N 3.35Å; R586-D590 WeakPolarHBondContact O-CB 3.39Å; R586-D590 PolarHBondContact O-N 2.88Å
587E83.7Confident82.6Confident133 Ų133107.5 Ų107.562%0.62152%0.518SS*.Hα-helixtrans-61.1-40.6174.6-72.2-165149.600111.6E583 L584 E591E583-E587 PolarHBondContact O-N 3.43Å; L584-E587 PolarHBondContact O-N 3.41Å; E587-E591 WeakPolarHBondContact O-CB 3.47Å; E587-E591 PolarHBondContact O-N 3.11Å
588E81.3Confident82.5Confident109 Ų109105.5 Ų105.551%0.50951%0.51SS..Hα-helixtrans-68.7-39.9176-176163-155.800112.2L584 R586 E591 Q592L584-E588 WeakPolarHBondContact O-CB 3.29Å; L584-E588 PolarHBondContact O-N 2.92Å; R586-E588 VanDerWaalsContact C-N 3.33Å; R586-E588 PolarHBondContact O-N 2.9Å; E588-E591 PolarHBondContact O-N 2.8Å; E588-Q592 WeakPolarHBondContact O-CB 3.4Å; E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.18Å
589A82.3Confident82.7Confident55 Ų55101.6 Ų101.646%0.45550%0.497SS..Hα-helixtrans-64-45173.600000112.1L585 R586 E591 Q592 Q593L585-A589 VanDerWaalsContact O-CB 3.27Å; L585-A589 WeakPolarHBondContact O-CB 3.46Å; L585-A589 PolarHBondContact O-N 2.84Å; R586-A589 PolarHBondContact O-N 3.35Å; A589-E591 VanDerWaalsContact C-N 3.33Å; A589-E591 PolarHBondContact O-N 3.34Å; A589-Q592 PolarHBondContact O-N 3.4Å; A589-Q593 WeakPolarHBondContact O-CB 3.34Å; A589-Q593 PolarHBondContact O-N 2.85Å
590D85.6Confident82.6Confident104 Ų104101.8 Ų101.856%0.55650%0.499SS*.Hα-helixtrans-65.1-35.2175-79.4-5.4000111.1R586 Q593 L594R586-D590 WeakPolarHBondContact O-CB 3.39Å; R586-D590 PolarHBondContact O-N 2.88Å; D590-Q593 PolarHBondContact O-N 2.74Å; D590-L594 WeakPolarHBondContact O-CB 3.47Å; D590-L594 PolarHBondContact O-N 2.81Å
591E82.9Confident82.6Confident90 Ų90103.8 Ų103.842%0.42150%0.503SS..Hα-helixtrans-73.5-35.7175.5-142.5-152.4154.600112.3E587 E588 A589 L594 R595E587-E591 WeakPolarHBondContact O-CB 3.47Å; E587-E591 PolarHBondContact O-N 3.11Å; E588-E591 PolarHBondContact O-N 2.8Å; A589-E591 VanDerWaalsContact C-N 3.33Å; A589-E591 PolarHBondContact O-N 3.34Å; E591-L594 PolarHBondContact O-N 2.97Å; E591-R595 VanDerWaalsContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.48Å; E591-R595 WeakPolarHBondContact O-CG 3.36Å; E591-R595 PolarHBondContact O-N 3.15Å; E591-R595 IonicContact OE1-CZ 3.97Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 3.41Å; E591-R595 PolarHBondContact OE1-NH2 3.23Å; E591-R595 IonicContact OE2-CZ 2.7Å; E591-R595 IonicContact OE2-NE 3.55Å; E591-R595 IonicContact OE2-NH2 2.7Å; E591-R595 PolarHBondContact OE2-NH2 3.41Å
592Q81.7Confident82.6Confident124 Ų124102.8 Ų102.858%0.57950%0.5SS*.Hα-helixtrans-65-40.8169.7-73.2-171.427.300111.4E588 A589 L594 R595 S596E588-Q592 WeakPolarHBondContact O-CB 3.4Å; E588-Q592 WeakPolarHBondContact O-CG 3.5Å; E588-Q592 PolarHBondContact O-N 3.18Å; A589-Q592 PolarHBondContact O-N 3.4Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; Q592-R595 PolarHBondContact O-N 2.83Å; Q592-S596 WeakPolarHBondContact O-CB 3.29Å; Q592-S596 PolarHBondContact O-N 2.85Å; Q592-S596 PolarHBondContact O-OG 3.37Å
593Q83.4Confident82.6Confident134 Ų134103.4 Ų103.463%0.62650%0.498SS*.Hα-helixtrans-65.5-38.4174.1-163.7176.628.200111.3A589 D590 S596 A597A589-Q593 WeakPolarHBondContact O-CB 3.34Å; A589-Q593 PolarHBondContact O-N 2.85Å; D590-Q593 PolarHBondContact O-N 2.74Å; Q593-S596 WeakPolarHBondContact CA-OG 3.39Å; Q593-S596 PolarHBondContact O-OG 2.79Å; Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.26Å
594L85.7Confident82.6Confident70 Ų70102.7 Ų102.737%0.36650%0.501SS..Hα-helixtrans-68.3-42.2175.2-177.461.4000112.1D590 E591 Q592 A597 E598D590-L594 WeakPolarHBondContact O-CB 3.47Å; D590-L594 PolarHBondContact O-N 2.81Å; E591-L594 PolarHBondContact O-N 2.97Å; Q592-L594 VanDerWaalsContact C-N 3.35Å; L594-A597 PolarHBondContact O-N 2.99Å; L594-E598 HydrophobicContact CD1-CG 4.23Å; L594-E598 WeakPolarHBondContact O-CB 3.43Å; L594-E598 WeakPolarHBondContact O-CG 3.22Å; L594-E598 PolarHBondContact O-N 3.4Å
595R77.1Confident82.7Confident155 Ų155103.7 Ų103.759%0.58550%0.498SS*.Hα-helixtrans-66.2-41.6177.6-74.1167.1-179.8-157.111.4111.7E591 Q592 H599E591-R595 VanDerWaalsContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CB 3.27Å; E591-R595 WeakPolarHBondContact O-CD 3.48Å; E591-R595 WeakPolarHBondContact O-CG 3.36Å; E591-R595 PolarHBondContact O-N 3.15Å; E591-R595 IonicContact OE1-CZ 3.97Å; E591-R595 IonicContact OE1-NE 3.73Å; E591-R595 PolarHBondContact OE1-NE 3.35Å; E591-R595 IonicContact OE1-NH2 3.41Å; E591-R595 PolarHBondContact OE1-NH2 3.23Å; E591-R595 IonicContact OE2-CZ 2.7Å; E591-R595 IonicContact OE2-NE 3.55Å; E591-R595 IonicContact OE2-NH2 2.7Å; E591-R595 PolarHBondContact OE2-NH2 3.41Å; Q592-R595 PolarHBondContact O-N 2.83Å; R595-H599 VanDerWaalsContact O-CB 3.3Å; R595-H599 WeakPolarHBondContact O-CB 3.48Å; R595-H599 PolarHBondContact O-N 2.9Å
596S76.1Confident82.8Confident46 Ų46102.6 Ų102.632%0.32250%0.495SS..Hα-helixtrans-67.5-41.1172.957.20000112Q592 Q593 H599 Y600Q592-S596 WeakPolarHBondContact O-CB 3.29Å; Q592-S596 PolarHBondContact O-N 2.85Å; Q592-S596 PolarHBondContact O-OG 3.37Å; Q593-S596 WeakPolarHBondContact CA-OG 3.39Å; Q593-S596 PolarHBondContact O-OG 2.79Å; S596-H599 WeakPolarHBondContact O-CB 3.33Å; S596-H599 PolarHBondContact O-N 3.49Å; S596-Y600 WeakPolarHBondContact O-CD2 3.44Å; S596-Y600 PolarHBondContact O-N 2.8Å
597A82.7Confident82.8Confident52 Ų5299.6 Ų99.643%0.4349%0.491SS..Hα-helixtrans-64-42.2173.700000112.9Q593 L594 H599 Y600 K601Q593-A597 WeakPolarHBondContact O-CB 3.42Å; Q593-A597 PolarHBondContact O-N 3.26Å; L594-A597 PolarHBondContact O-N 2.99Å; A597-H599 VanDerWaalsContact C-N 3.34Å; A597-Y600 PolarHBondContact O-N 3.19Å; A597-K601 WeakPolarHBondContact O-CB 3.39Å; A597-K601 PolarHBondContact O-N 3.44Å
598E81Confident82.9Confident79 Ų7994.8 Ų94.837%0.36948%0.477SS..Hα-helixtrans-65.9-35.5173.9-75.5-171.3-169.100111.1K550 L594 N602K550-E598 IonicContact NZ-OE1 2.81Å; K550-E598 PolarHBondContact NZ-OE1 3.49Å; L594-E598 HydrophobicContact CD1-CG 4.23Å; L594-E598 WeakPolarHBondContact O-CB 3.43Å; L594-E598 WeakPolarHBondContact O-CG 3.22Å; L594-E598 PolarHBondContact O-N 3.4Å; E598-N602 WeakPolarHBondContact O-CB 3.43Å; E598-N602 VanDerWaalsContact O-CG 3.28Å; E598-N602 PolarHBondContact O-N 2.94Å; E598-N602 PolarHBondContact O-ND2 3.01Å
599H83.8Confident83.1Confident68 Ų6893.7 Ų93.732%0.31547%0.472SS..Hα-helixtrans-63-51.7171.6170.7-119.5000112.3R595 S596 A597 K601 N602 Q603R595-H599 VanDerWaalsContact O-CB 3.3Å; R595-H599 WeakPolarHBondContact O-CB 3.48Å; R595-H599 PolarHBondContact O-N 2.9Å; S596-H599 WeakPolarHBondContact O-CB 3.33Å; S596-H599 PolarHBondContact O-N 3.49Å; A597-H599 VanDerWaalsContact C-N 3.34Å; H599-K601 PolarHBondContact O-N 3.13Å; H599-N602 WeakPolarHBondContact O-CB 3.31Å; H599-N602 PolarHBondContact O-N 3.43Å; H599-Q603 PolarHBondContact CE1-NE2 2.94Å; H599-Q603 PolarHBondContact NE2-NE2 2.79Å; H599-Q603 PolarHBondContact O-N 2.87Å
600Y82.4Confident83.3Confident152 Ų15297.6 Ų97.660%0.59648%0.475SS*.Hα-helixtrans-62.6-40.1176.1-72.4-62.6000112.2S596 A597 N602 Q603 V604S596-Y600 WeakPolarHBondContact O-CD2 3.44Å; S596-Y600 PolarHBondContact O-N 2.8Å; A597-Y600 PolarHBondContact O-N 3.19Å; Y600-N602 VanDerWaalsContact C-N 3.32Å; Y600-N602 PolarHBondContact O-N 2.8Å; Y600-Q603 PolarHBondContact O-N 3.18Å; Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 WeakPolarHBondContact O-CG2 3.28Å; Y600-V604 PolarHBondContact O-N 3.41Å
601K85Confident83.4Confident140 Ų14096.3 Ų96.361%0.60947%0.471SS*.Hα-helixtrans-61.4-37.6174.2-175.7176.1-176.5174.30112.4A597 H599 R605A597-K601 WeakPolarHBondContact O-CB 3.39Å; A597-K601 PolarHBondContact O-N 3.44Å; H599-K601 PolarHBondContact O-N 3.13Å; K601-R605 WeakPolarHBondContact O-CB 3.32Å; K601-R605 PolarHBondContact O-N 3.1Å
602N82.2Confident83.5Confident70 Ų7098.5 Ų98.537%0.37448%0.481SS..Hα-helixtrans-68.3-42.8172.4-79.9-49.2000111.9E598 H599 Y600 R605 V606E598-N602 WeakPolarHBondContact O-CB 3.43Å; E598-N602 VanDerWaalsContact O-CG 3.28Å; E598-N602 PolarHBondContact O-N 2.94Å; E598-N602 PolarHBondContact O-ND2 3.01Å; H599-N602 WeakPolarHBondContact O-CB 3.31Å; H599-N602 PolarHBondContact O-N 3.43Å; Y600-N602 VanDerWaalsContact C-N 3.32Å; Y600-N602 PolarHBondContact O-N 2.8Å; N602-R605 PolarHBondContact O-N 2.85Å; N602-R605 VanDerWaalsContact OD1-CZ 3.28Å; N602-R605 PolarHBondContact OD1-NH1 2.82Å; N602-R605 PolarHBondContact OD1-NH2 3.26Å; N602-V606 WeakPolarHBondContact O-CG2 3.23Å; N602-V606 PolarHBondContact O-N 3.01Å
603Q83.5Confident83.8Confident92 Ų9297 Ų9743%0.4347%0.474SS..Hα-helixtrans-61.9-45.9174.3-68.9-16113.800111.9H599 Y600 R605 V606 L607H599-Q603 PolarHBondContact CE1-NE2 2.94Å; H599-Q603 PolarHBondContact NE2-NE2 2.79Å; H599-Q603 PolarHBondContact O-N 2.87Å; Y600-Q603 PolarHBondContact O-N 3.18Å; Q603-R605 VanDerWaalsContact C-N 3.32Å; Q603-R605 PolarHBondContact O-N 2.88Å; Q603-V606 PolarHBondContact O-N 3.49Å; Q603-L607 WeakPolarHBondContact O-CB 3.39Å; Q603-L607 VanDerWaalsContact O-CG 3.32Å; Q603-L607 WeakPolarHBondContact O-CG 3.42Å; Q603-L607 PolarHBondContact O-N 3.09Å
604V83.4Confident84Confident100 Ų10094.9 Ų94.961%0.60647%0.466SS*.Hα-helixtrans-61.4-38.6176.6170.10000111.3Y600 L607 G608Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 WeakPolarHBondContact O-CG2 3.28Å; Y600-V604 PolarHBondContact O-N 3.41Å; V604-L607 PolarHBondContact O-N 2.84Å; V604-G608 PolarHBondContact O-N 3.41Å
605R85.8Confident83.9Confident130 Ų13097.5 Ų97.549%0.49148%0.477SS..Hα-helixtrans-63.5-48173.1-169.7-174.462-106.5-7111.8K601 N602 Q603 L607 G608 E609K601-R605 WeakPolarHBondContact O-CB 3.32Å; K601-R605 PolarHBondContact O-N 3.1Å; N602-R605 PolarHBondContact O-N 2.85Å; N602-R605 VanDerWaalsContact OD1-CZ 3.28Å; N602-R605 PolarHBondContact OD1-NH1 2.82Å; N602-R605 PolarHBondContact OD1-NH2 3.26Å; Q603-R605 VanDerWaalsContact C-N 3.32Å; Q603-R605 PolarHBondContact O-N 2.88Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 2.8Å; R605-G608 WeakPolarHBondContact O-CA 3.43Å; R605-G608 PolarHBondContact O-N 2.94Å; R605-G608 VanDerWaalsContact O-N 3.09Å; R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.5Å; R605-E609 WeakPolarHBondContact CG-OE1 3.24Å; R605-E609 IonicContact NE-OE1 2.67Å; R605-E609 PolarHBondContact NE-OE1 2.87Å; R605-E609 WeakPolarHBondContact O-CG 3.23Å; R605-E609 PolarHBondContact O-N 3.02Å
606V85.8Confident84.3Confident80 Ų8096 Ų9649%0.48548%0.476SS..Hα-helixtrans-63.8-35.7178.61720000111.7N602 Q603 R610N602-V606 WeakPolarHBondContact O-CG2 3.23Å; N602-V606 PolarHBondContact O-N 3.01Å; Q603-V606 PolarHBondContact O-N 3.49Å; V606-R610 WeakPolarHBondContact O-CB 3.38Å; V606-R610 PolarHBondContact O-N 3.17Å
607L84Confident84.8Confident109 Ų10998.2 Ų98.257%0.57148%0.483SS*.Hα-helixtrans-68.2-38.3171.9-71.5170.7000111.8Q603 V604 R605 R610 V611Q603-L607 WeakPolarHBondContact O-CB 3.39Å; Q603-L607 VanDerWaalsContact O-CG 3.32Å; Q603-L607 WeakPolarHBondContact O-CG 3.42Å; Q603-L607 PolarHBondContact O-N 3.09Å; V604-L607 PolarHBondContact O-N 2.84Å; R605-L607 VanDerWaalsContact C-N 3.3Å; R605-L607 PolarHBondContact O-N 2.8Å; L607-R610 CarbonylContact O-C 3.55Å; L607-R610 WeakPolarHBondContact O-CB 3.23Å; L607-R610 PolarHBondContact O-N 2.8Å; L607-V611 WeakPolarHBondContact O-CB 3.23Å; L607-V611 VanDerWaalsContact O-CG2 3.31Å; L607-V611 WeakPolarHBondContact O-CG2 3.33Å; L607-V611 PolarHBondContact O-N 3.38Å
608G86Confident85Confident31 Ų31101.3 Ų101.332%0.3249%0.492SS..Hα-helixtrans-61.1-54.4172.600000112.4V604 R605 R610 V611 E612V604-G608 PolarHBondContact O-N 3.41Å; R605-G608 WeakPolarHBondContact O-CA 3.43Å; R605-G608 PolarHBondContact O-N 2.94Å; R605-G608 VanDerWaalsContact O-N 3.09Å; G608-R610 PolarHBondContact O-N 2.87Å; G608-V611 PolarHBondContact O-N 2.7Å; G608-E612 PolarHBondContact O-N 3.26Å
609E85.2Confident85.2Confident87 Ų87100.4 Ų100.441%0.40750%0.498SS..Hα-helixtrans-53.2-37.4172.8-69169.2-152.200111.3R605 Q613R605-E609 WeakPolarHBondContact CD-OE1 3.23Å; R605-E609 HydrophobicContact CG-CG 4.5Å; R605-E609 WeakPolarHBondContact CG-OE1 3.24Å; R605-E609 IonicContact NE-OE1 2.67Å; R605-E609 PolarHBondContact NE-OE1 2.87Å; R605-E609 WeakPolarHBondContact O-CG 3.23Å; R605-E609 PolarHBondContact O-N 3.02Å; E609-Q613 WeakPolarHBondContact O-CB 3.28Å; E609-Q613 VanDerWaalsContact O-CG 3.24Å; E609-Q613 WeakPolarHBondContact O-CG 3.21Å; E609-Q613 PolarHBondContact O-N 3.43Å
610R86.2Confident85.3Confident137 Ų137101.9 Ų101.952%0.51751%0.508SS..Hα-helixtrans-73-36.4177.2-170.457.7170.6178.51.4113.2V606 L607 G608 Q613 L614V606-R610 WeakPolarHBondContact O-CB 3.38Å; V606-R610 PolarHBondContact O-N 3.17Å; L607-R610 CarbonylContact O-C 3.55Å; L607-R610 WeakPolarHBondContact O-CB 3.23Å; L607-R610 PolarHBondContact O-N 2.8Å; G608-R610 PolarHBondContact O-N 2.87Å; R610-Q613 VanDerWaalsContact NH1-OE1 3.07Å; R610-L614 HydrophobicContact CG-CD1 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.46Å; R610-L614 VanDerWaalsContact O-CG 3.24Å; R610-L614 WeakPolarHBondContact O-CG 3.3Å; R610-L614 PolarHBondContact O-N 3.01Å
611V88.4Confident85.3Confident77 Ų7798.6 Ų98.647%0.46750%0.498SS..Hα-helixtrans-69.7-40.5174.6166.50000110.6L607 G608 L614 Q615L607-V611 WeakPolarHBondContact O-CB 3.23Å; L607-V611 VanDerWaalsContact O-CG2 3.31Å; L607-V611 WeakPolarHBondContact O-CG2 3.33Å; L607-V611 PolarHBondContact O-N 3.38Å; G608-V611 PolarHBondContact O-N 2.7Å; V611-L614 CarbonylContact O-C 3.56Å; V611-L614 PolarHBondContact O-N 3.38Å; V611-Q615 HydrophobicContact CG1-CG 4.46Å; V611-Q615 WeakPolarHBondContact O-CB 3.19Å; V611-Q615 WeakPolarHBondContact O-CG 3.3Å; V611-Q615 PolarHBondContact O-N 2.92Å
612E84.5Confident85.3Confident135 Ų13595.1 Ų95.163%0.63149%0.491SS*.Hα-helixtrans-62.2-45.1173-71.2-177.4174.900111.5G608 L614 Q615 H616G608-E612 PolarHBondContact O-N 3.26Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 2.85Å; E612-Q615 PolarHBondContact O-N 3.42Å; E612-H616 WeakPolarHBondContact O-CB 3.45Å; E612-H616 PolarHBondContact O-N 2.77Å
613Q86.7Confident85.5Confident93 Ų9394.1 Ų94.144%0.43549%0.489SS..Hα-helixtrans-57.6-43.4172-76.3169.92200112.2E609 R610 H616 I617E609-Q613 WeakPolarHBondContact O-CB 3.28Å; E609-Q613 VanDerWaalsContact O-CG 3.24Å; E609-Q613 WeakPolarHBondContact O-CG 3.21Å; E609-Q613 PolarHBondContact O-N 3.43Å; R610-Q613 VanDerWaalsContact NH1-OE1 3.07Å; Q613-H616 PolarHBondContact O-N 3.36Å; Q613-I617 WeakPolarHBondContact O-CB 3.42Å; Q613-I617 WeakPolarHBondContact O-CD1 3.14Å; Q613-I617 VanDerWaalsContact O-CG1 3.26Å; Q613-I617 WeakPolarHBondContact O-CG1 3.45Å; Q613-I617 PolarHBondContact O-N 3.46Å
614L87.5Confident85.8Confident89 Ų8993.9 Ų93.947%0.46649%0.487SS..Hα-helixtrans-70.5-36.3179-74.4169.2000112.3R610 V611 E612 I617 L618R610-L614 HydrophobicContact CG-CD1 4.29Å; R610-L614 WeakPolarHBondContact O-CB 3.46Å; R610-L614 VanDerWaalsContact O-CG 3.24Å; R610-L614 WeakPolarHBondContact O-CG 3.3Å; R610-L614 PolarHBondContact O-N 3.01Å; V611-L614 CarbonylContact O-C 3.56Å; V611-L614 PolarHBondContact O-N 3.38Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-L614 PolarHBondContact O-N 2.85Å; L614-I617 PolarHBondContact O-N 2.86Å; L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 PolarHBondContact O-N 3.31Å
615Q84.8Confident85.9Confident125 Ų12593.5 Ų93.558%0.58449%0.485SS*.Hα-helixtrans-65.5-40.3172.1-78.4-176.1-17.800111.7V611 E612 L618 A619V611-Q615 HydrophobicContact CG1-CG 4.46Å; V611-Q615 WeakPolarHBondContact O-CB 3.19Å; V611-Q615 WeakPolarHBondContact O-CG 3.3Å; V611-Q615 PolarHBondContact O-N 2.92Å; E612-Q615 PolarHBondContact O-N 3.42Å; Q615-L618 PolarHBondContact O-N 2.86Å; Q615-A619 WeakPolarHBondContact O-CB 3.22Å; Q615-A619 PolarHBondContact O-N 2.88Å
616H85.4Confident85.8Confident125 Ų12593.9 Ų93.958%0.57949%0.492SS*.Hα-helixtrans-65.3-43.2175.2-176.4-92.4000111.9E612 Q613 A619 L620E612-H616 WeakPolarHBondContact O-CB 3.45Å; E612-H616 PolarHBondContact O-N 2.77Å; Q613-H616 PolarHBondContact O-N 3.36Å; H616-A619 PolarHBondContact O-N 2.99Å; H616-L620 WeakPolarHBondContact O-CG 3.43Å; H616-L620 PolarHBondContact O-N 3.44Å
617I86.9Confident85.7Confident92 Ų9297.1 Ų97.147%0.47250%0.496SS..Hα-helixtrans-63.9-42.2173.6-69.2164.6000110.8Q613 L614 L620 E621Q613-I617 WeakPolarHBondContact O-CB 3.42Å; Q613-I617 WeakPolarHBondContact O-CD1 3.14Å; Q613-I617 VanDerWaalsContact O-CG1 3.26Å; Q613-I617 WeakPolarHBondContact O-CG1 3.45Å; Q613-I617 PolarHBondContact O-N 3.46Å; L614-I617 PolarHBondContact O-N 2.86Å; I617-L620 PolarHBondContact O-N 3.39Å; I617-E621 PolarHBondContact O-N 2.88Å
618L85.9Confident85.9Confident116 Ų11696.3 Ų96.361%0.60749%0.491SS*.Hα-helixtrans-63.5-41.6177.1-171.370.5000111.2L614 Q615 E621 S622L614-L618 WeakPolarHBondContact O-CB 3.31Å; L614-L618 PolarHBondContact O-N 3.31Å; Q615-L618 PolarHBondContact O-N 2.86Å; L618-E621 PolarHBondContact O-N 2.88Å; L618-S622 WeakPolarHBondContact O-CB 3.27Å; L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.12Å
619A84.8Confident85.9Confident60 Ų6098 Ų9850%0.49650%0.498SS..Hα-helixtrans-64.3-39.3175.800000112.5Q615 H616 S622 S623Q615-A619 WeakPolarHBondContact O-CB 3.22Å; Q615-A619 PolarHBondContact O-N 2.88Å; H616-A619 PolarHBondContact O-N 2.99Å; A619-S622 PolarHBondContact O-N 3.02Å; A619-S623 WeakPolarHBondContact O-CB 3.44Å; A619-S623 PolarHBondContact O-N 2.92Å
620L86.1Confident85.8Confident99 Ų9997.2 Ų97.252%0.51850%0.502SS..Hα-helixtrans-65.8-41.2173.9-73.9174.2000112.3H616 I617 K624H616-L620 WeakPolarHBondContact O-CG 3.43Å; H616-L620 PolarHBondContact O-N 3.44Å; I617-L620 PolarHBondContact O-N 3.39Å; L620-K624 WeakPolarHBondContact O-CB 3.36Å; L620-K624 PolarHBondContact O-N 2.98Å
621E83.9Confident85.9Confident83 Ų8396.2 Ų96.239%0.38850%0.504SS..Hα-helixtrans-71.4-35.8175.2-77.1-63.3160.200112.3I617 L618 K624 V625I617-E621 PolarHBondContact O-N 2.88Å; L618-E621 PolarHBondContact O-N 2.88Å; E621-K624 CarbonylContact O-C 3.6Å; E621-K624 WeakPolarHBondContact O-CB 3.49Å; E621-K624 PolarHBondContact O-N 3.47Å; E621-K624 VanDerWaalsContact O-N 3.13Å; E621-K624 IonicContact OE1-NZ 3.56Å; E621-K624 PolarHBondContact OE1-NZ 3.42Å; E621-K624 IonicContact OE2-NZ 2.67Å; E621-K624 PolarHBondContact OE2-NZ 2.69Å; E621-V625 WeakPolarHBondContact O-CB 3.48Å; E621-V625 WeakPolarHBondContact O-CG2 3.4Å; E621-V625 PolarHBondContact O-N 3.2Å
622S84.6Confident85.8Confident67 Ų6797.6 Ų97.647%0.46951%0.508SS..Hα-helixtrans-59.2-48.8169.9-67.70000111.3L618 A619 K624 V625 E626L618-S622 WeakPolarHBondContact O-CB 3.27Å; L618-S622 PolarHBondContact O-N 3.04Å; L618-S622 PolarHBondContact O-OG 3.12Å; A619-S622 PolarHBondContact O-N 3.02Å; S622-K624 PolarHBondContact O-N 3.49Å; S622-V625 PolarHBondContact O-N 3.37Å; S622-E626 VanDerWaalsContact O-CB 3.27Å; S622-E626 WeakPolarHBondContact O-CB 3.15Å; S622-E626 PolarHBondContact O-N 3.23Å
623S85Confident85.8Confident49 Ų4997.9 Ų97.934%0.34351%0.509SS..Hα-helixtrans-61.3-26.6174.7172.20000113.4A619 R627A619-S623 WeakPolarHBondContact O-CB 3.44Å; A619-S623 PolarHBondContact O-N 2.92Å; S623-R627 PolarHBondContact O-N 2.9Å; S623-R627 PolarHBondContact O-NE 3.07Å
624K89.8Confident85.7Confident88 Ų88100.3 Ų100.338%0.38352%0.52SS..Hα-helixtrans-82.2-40.2176.8174162152.7-91.10111.7L620 E621 S622 L628L620-K624 WeakPolarHBondContact O-CB 3.36Å; L620-K624 PolarHBondContact O-N 2.98Å; E621-K624 CarbonylContact O-C 3.6Å; E621-K624 WeakPolarHBondContact O-CB 3.49Å; E621-K624 PolarHBondContact O-N 3.47Å; E621-K624 VanDerWaalsContact O-N 3.13Å; E621-K624 IonicContact OE1-NZ 3.56Å; E621-K624 PolarHBondContact OE1-NZ 3.42Å; E621-K624 IonicContact OE2-NZ 2.67Å; E621-K624 PolarHBondContact OE2-NZ 2.69Å; S622-K624 PolarHBondContact O-N 3.49Å; K624-L628 HydrophobicContact CG-CD1 4.1Å; K624-L628 WeakPolarHBondContact O-CB 3.47Å; K624-L628 WeakPolarHBondContact O-CD1 3.26Å; K624-L628 WeakPolarHBondContact O-CG 3.39Å; K624-L628 PolarHBondContact O-N 2.99Å
625V86.1Confident85.7Confident92 Ų92103 Ų10356%0.55853%0.528SS*.Hα-helixtrans-64.7-41171.2169.60000110.9E621 S622 L628 S629E621-V625 WeakPolarHBondContact O-CB 3.48Å; E621-V625 WeakPolarHBondContact O-CG2 3.4Å; E621-V625 PolarHBondContact O-N 3.2Å; S622-V625 PolarHBondContact O-N 3.37Å; V625-L628 PolarHBondContact O-N 2.81Å; V625-S629 VanDerWaalsContact O-CB 3.31Å; V625-S629 WeakPolarHBondContact O-CB 3.35Å; V625-S629 PolarHBondContact O-N 3.44Å
626E83.2Confident85.7Confident137 Ų137101.2 Ų101.264%0.6452%0.523SS*.Hα-helixtrans-62.3-46.3177.1-169.7169.7-134.900111.3S622 S629 S630S622-E626 VanDerWaalsContact O-CB 3.27Å; S622-E626 WeakPolarHBondContact O-CB 3.15Å; S622-E626 PolarHBondContact O-N 3.23Å; E626-S629 WeakPolarHBondContact O-CB 3.35Å; E626-S629 PolarHBondContact O-N 3.45Å; E626-S630 PolarHBondContact O-N 3.36Å; E626-S630 PolarHBondContact O-OG 2.85Å
627R85.2Confident85.7Confident148 Ų14898.4 Ų98.456%0.55852%0.518SS*.Hα-helixtrans-62.3-45.3171.9-81.3177.5-70.2143.6-4.9113.4S623 S629 S630 E631S623-R627 PolarHBondContact O-N 2.9Å; S623-R627 PolarHBondContact O-NE 3.07Å; R627-S629 PolarHBondContact O-N 3.22Å; R627-S630 PolarHBondContact O-N 2.68Å; R627-E631 PolarHBondContact O-N 3.43Å
628L87.7Confident85.6Confident92 Ų9297.7 Ų97.748%0.48252%0.518SS..Hα-helixtrans-63.7-30176.5-72.8166.6000111.8K624 V625 L632K624-L628 HydrophobicContact CG-CD1 4.1Å; K624-L628 WeakPolarHBondContact O-CB 3.47Å; K624-L628 WeakPolarHBondContact O-CD1 3.26Å; K624-L628 WeakPolarHBondContact O-CG 3.39Å; K624-L628 PolarHBondContact O-N 2.99Å; V625-L628 PolarHBondContact O-N 2.81Å; L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.31Å; L628-L632 PolarHBondContact O-N 2.85Å
629S85.3Confident85.5Confident67 Ų6796.9 Ų96.947%0.46951%0.511SS..Hα-helixtrans-68.8-44.9172.4-167.30000111.1V625 E626 R627 L632 E633V625-S629 VanDerWaalsContact O-CB 3.31Å; V625-S629 WeakPolarHBondContact O-CB 3.35Å; V625-S629 PolarHBondContact O-N 3.44Å; E626-S629 WeakPolarHBondContact O-CB 3.35Å; E626-S629 PolarHBondContact O-N 3.45Å; R627-S629 PolarHBondContact O-N 3.22Å; S629-L632 PolarHBondContact O-N 2.77Å; S629-E633 WeakPolarHBondContact O-CB 3.43Å; S629-E633 PolarHBondContact O-N 2.67Å
630S84.1Confident85.6Confident70 Ų7096.6 Ų96.649%0.4951%0.508SS..Hα-helixtrans-63.1-43.1174.7-57.80000112.4E626 R627 L632 E633 E634E626-S630 PolarHBondContact O-N 3.36Å; E626-S630 PolarHBondContact O-OG 2.85Å; R627-S630 PolarHBondContact O-N 2.68Å; S630-L632 VanDerWaalsContact C-N 3.34Å; S630-L632 PolarHBondContact O-N 2.74Å; S630-E633 PolarHBondContact O-N 3.25Å; S630-E634 WeakPolarHBondContact O-CB 3.43Å; S630-E634 PolarHBondContact O-N 3Å
631E87.1Confident85.5Confident116 Ų11697.1 Ų97.154%0.54251%0.508SS..Hα-helixtrans-59.4-44172.2-74.2-171.4141.400111.3R627 E633 E634 K635R627-E631 PolarHBondContact O-N 3.43Å; E631-E633 VanDerWaalsContact C-N 3.34Å; E631-E633 PolarHBondContact O-N 2.73Å; E631-E634 PolarHBondContact O-N 2.8Å; E631-K635 WeakPolarHBondContact O-CB 3.39Å; E631-K635 WeakPolarHBondContact O-CG 3.5Å; E631-K635 PolarHBondContact O-N 2.73Å
632L86.3Confident85.5Confident106 Ų10694.7 Ų94.756%0.55551%0.506SS*.Hα-helixtrans-66.5-35.1178.6-175.364.6000112.5L628 S629 S630 K635 N636L628-L632 VanDerWaalsContact O-CB 3.24Å; L628-L632 WeakPolarHBondContact O-CB 3.31Å; L628-L632 PolarHBondContact O-N 2.85Å; S629-L632 PolarHBondContact O-N 2.77Å; S630-L632 VanDerWaalsContact C-N 3.34Å; S630-L632 PolarHBondContact O-N 2.74Å; L632-K635 PolarHBondContact O-N 3.28Å; L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.96Å; L632-N636 PolarHBondContact O-ND2 2.86Å
633E85.2Confident85.7Confident142 Ų14296 Ų9666%0.66450%0.503SS*.Hα-helixtrans-71.3-38.8176.7-164.5160.9-128.100111.5S629 S630 E631 N636 S637S629-E633 WeakPolarHBondContact O-CB 3.43Å; S629-E633 PolarHBondContact O-N 2.67Å; S630-E633 PolarHBondContact O-N 3.25Å; E631-E633 VanDerWaalsContact C-N 3.34Å; E631-E633 PolarHBondContact O-N 2.73Å; E633-N636 PolarHBondContact O-N 3.32Å; E633-S637 WeakPolarHBondContact O-CB 3.45Å; E633-S637 PolarHBondContact O-N 3.48Å
634E84.9Confident85.7Confident143 Ų14396.1 Ų96.167%0.66851%0.507SS*.Hα-helixtrans-67-38171.8-167.7177-12000112.2S630 E631 S637 T638S630-E634 WeakPolarHBondContact O-CB 3.43Å; S630-E634 PolarHBondContact O-N 3Å; E631-E634 PolarHBondContact O-N 2.8Å; E634-S637 PolarHBondContact O-N 3.15Å; E634-T638 PolarHBondContact O-N 3.35Å; E634-T638 PolarHBondContact O-OG1 3.02Å
635K86.8Confident85.6Confident145 Ų14599.6 Ų99.663%0.6352%0.518SS*.Hα-helixtrans-62.5-44169.5-69.6-66.6177-163.40111.9E631 L632 S637 T638 E639E631-K635 WeakPolarHBondContact O-CB 3.39Å; E631-K635 WeakPolarHBondContact O-CG 3.5Å; E631-K635 PolarHBondContact O-N 2.73Å; L632-K635 PolarHBondContact O-N 3.28Å; K635-S637 VanDerWaalsContact C-N 3.34Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 2.93Å; K635-T638 PolarHBondContact O-OG1 3.32Å; K635-T638 VanDerWaalsContact O-OG1 3.09Å; K635-E639 WeakPolarHBondContact O-CB 3.48Å; K635-E639 PolarHBondContact O-N 2.75Å
636N85.6Confident85.8Confident88 Ų8899 Ų9947%0.47152%0.515SS..Hα-helixtrans-64.7-37.5175.8-83.1-40.6000112L632 E633 E639 A640L632-N636 WeakPolarHBondContact O-CB 3.41Å; L632-N636 PolarHBondContact O-N 2.96Å; L632-N636 PolarHBondContact O-ND2 2.86Å; E633-N636 PolarHBondContact O-N 3.32Å; N636-E639 PolarHBondContact O-N 2.83Å; N636-A640 VanDerWaalsContact O-CB 3.26Å; N636-A640 WeakPolarHBondContact O-CB 3.21Å; N636-A640 PolarHBondContact O-N 2.73Å
637S84.3Confident85.9Confident67 Ų6799.1 Ų99.147%0.46951%0.51SS..Hα-helixtrans-64-50.1175.9-167.60000111.4E633 E634 K635 E639 A640 E641E633-S637 WeakPolarHBondContact O-CB 3.45Å; E633-S637 PolarHBondContact O-N 3.48Å; E634-S637 PolarHBondContact O-N 3.15Å; K635-S637 VanDerWaalsContact C-N 3.34Å; S637-E639 VanDerWaalsContact C-N 3.32Å; S637-E639 PolarHBondContact O-N 3.37Å; S637-A640 WeakPolarHBondContact O-CB 3.42Å; S637-A640 PolarHBondContact O-N 3.03Å; S637-A640 VanDerWaalsContact O-N 3.07Å; S637-E641 PolarHBondContact O-N 3.07Å
638T85.8Confident86.1Confident77 Ų7796.3 Ų96.347%0.47251%0.506SS..Hα-helixtrans-65.3-31.8176.848.90000113E634 K635 G642E634-T638 PolarHBondContact O-N 3.35Å; E634-T638 PolarHBondContact O-OG1 3.02Å; K635-T638 WeakPolarHBondContact CA-OG1 3.41Å; K635-T638 PolarHBondContact O-N 2.93Å; K635-T638 PolarHBondContact O-OG1 3.32Å; K635-T638 VanDerWaalsContact O-OG1 3.09Å; T638-G642 PolarHBondContact O-N 2.97Å
639E84.1Confident86.1Confident98 Ų9896.8 Ų96.846%0.45851%0.508SS..Hα-helixtrans-71.6-34.3170.5-155.3-159.1167.200112.3K635 N636 S637 G642 K643K635-E639 WeakPolarHBondContact O-CB 3.48Å; K635-E639 PolarHBondContact O-N 2.75Å; N636-E639 PolarHBondContact O-N 2.83Å; S637-E639 VanDerWaalsContact C-N 3.32Å; S637-E639 PolarHBondContact O-N 3.37Å; E639-G642 PolarHBondContact O-N 2.89Å; E639-K643 VanDerWaalsContact CD-CE 3.44Å; E639-K643 HydrophobicContact CG-CD 4.49Å; E639-K643 WeakPolarHBondContact O-CB 3.21Å; E639-K643 VanDerWaalsContact O-CG 3.29Å; E639-K643 WeakPolarHBondContact O-CG 3.37Å; E639-K643 PolarHBondContact O-N 3.25Å; E639-K643 WeakPolarHBondContact OE1-CE 3.13Å; E639-K643 IonicContact OE1-NZ 3.12Å; E639-K643 PolarHBondContact OE1-NZ 3.26Å; E639-K643 IonicContact OE2-NZ 2.61Å; E639-K643 PolarHBondContact OE2-NZ 3.13Å
640A85.5Confident86.2Confident54 Ų5498.8 Ų98.845%0.44651%0.51SS..Hα-helixtrans-68-40.7175.400000111.8N636 S637 K643 A644N636-A640 VanDerWaalsContact O-CB 3.26Å; N636-A640 WeakPolarHBondContact O-CB 3.21Å; N636-A640 PolarHBondContact O-N 2.73Å; S637-A640 WeakPolarHBondContact O-CB 3.42Å; S637-A640 PolarHBondContact O-N 3.03Å; S637-A640 VanDerWaalsContact O-N 3.07Å; A640-K643 PolarHBondContact O-N 3.01Å; A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.9Å
641E84.4Confident86.4Confident110 Ų11099.6 Ų99.651%0.51451%0.508SS..Hα-helixtrans-60.9-47.4168.7-70.9-174.3158.800111S637 K643 A644 Y645S637-E641 PolarHBondContact O-N 3.07Å; E641-K643 VanDerWaalsContact C-N 3.33Å; E641-K643 PolarHBondContact O-N 3.11Å; E641-A644 CarbonylContact O-C 3.59Å; E641-A644 WeakPolarHBondContact O-CA 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.32Å; E641-A644 PolarHBondContact O-N 2.68Å; E641-Y645 HydrophobicContact CB-CE2 4.41Å; E641-Y645 WeakPolarHBondContact O-CD2 3.43Å; E641-Y645 PolarHBondContact O-N 3.25Å
642G85Confident86.3Confident33 Ų3398.1 Ų98.134%0.3450%0.502SS..Hα-helixtrans-54-46.7173.600000112.8T638 E639 A644 Y645 V646T638-G642 PolarHBondContact O-N 2.97Å; E639-G642 PolarHBondContact O-N 2.89Å; G642-A644 VanDerWaalsContact C-N 3.31Å; G642-A644 PolarHBondContact O-N 2.85Å; G642-Y645 PolarHBondContact O-N 3.45Å; G642-V646 WeakPolarHBondContact O-CG2 3.44Å; G642-V646 PolarHBondContact O-N 3.5Å
643K87.7Confident86.4Confident94 Ų9497.1 Ų97.141%0.40950%0.5SS..Hα-helixtrans-65.6-29.4174.2-72.7165-176163.70112.6E639 A640 E641 R647E639-K643 VanDerWaalsContact CD-CE 3.44Å; E639-K643 HydrophobicContact CG-CD 4.49Å; E639-K643 WeakPolarHBondContact O-CB 3.21Å; E639-K643 VanDerWaalsContact O-CG 3.29Å; E639-K643 WeakPolarHBondContact O-CG 3.37Å; E639-K643 PolarHBondContact O-N 3.25Å; E639-K643 WeakPolarHBondContact OE1-CE 3.13Å; E639-K643 IonicContact OE1-NZ 3.12Å; E639-K643 PolarHBondContact OE1-NZ 3.26Å; E639-K643 IonicContact OE2-NZ 2.61Å; E639-K643 PolarHBondContact OE2-NZ 3.13Å; A640-K643 PolarHBondContact O-N 3.01Å; E641-K643 VanDerWaalsContact C-N 3.33Å; E641-K643 PolarHBondContact O-N 3.11Å; K643-R647 WeakPolarHBondContact O-CG 3.48Å; K643-R647 PolarHBondContact O-N 2.89Å; K643-R647 VanDerWaalsContact O-N 3.13Å; K643-R647 PolarHBondContact O-NH1 3.41Å
644A85.5Confident86.5Confident51 Ų5195.2 Ų95.242%0.42149%0.494SS..Hα-helixtrans-71-44.4173.100000111.5A640 E641 G642 V646 R647 N648A640-A644 WeakPolarHBondContact O-CB 3.47Å; A640-A644 PolarHBondContact O-N 2.9Å; E641-A644 CarbonylContact O-C 3.59Å; E641-A644 WeakPolarHBondContact O-CA 3.29Å; E641-A644 WeakPolarHBondContact O-CB 3.32Å; E641-A644 PolarHBondContact O-N 2.68Å; G642-A644 VanDerWaalsContact C-N 3.31Å; G642-A644 PolarHBondContact O-N 2.85Å; A644-V646 PolarHBondContact O-N 2.89Å; A644-R647 PolarHBondContact O-N 3.36Å; A644-N648 WeakPolarHBondContact O-CB 3.23Å; A644-N648 PolarHBondContact O-N 3.3Å
645Y88Confident86.5Confident161 Ų16193.7 Ų93.763%0.63149%0.487SS*.Hα-helixtrans-60.5-43.4173.1-72.8-65.4000112.1E641 G642 N648 L649E641-Y645 HydrophobicContact CB-CE2 4.41Å; E641-Y645 WeakPolarHBondContact O-CD2 3.43Å; E641-Y645 PolarHBondContact O-N 3.25Å; G642-Y645 PolarHBondContact O-N 3.45Å; Y645-N648 PolarHBondContact O-N 3.06Å; Y645-L649 WeakPolarHBondContact O-CG 3.03Å; Y645-L649 PolarHBondContact O-N 2.9Å
646V89.6Confident86.5Confident79 Ų7991.4 Ų91.448%0.47948%0.482SS..Hα-helixtrans-58.9-50.8175.1170.40000111.2G642 A644 N648 L649 E650G642-V646 WeakPolarHBondContact O-CG2 3.44Å; G642-V646 PolarHBondContact O-N 3.5Å; A644-V646 PolarHBondContact O-N 2.89Å; V646-N648 VanDerWaalsContact C-N 3.27Å; V646-N648 PolarHBondContact O-N 3.31Å; V646-L649 WeakPolarHBondContact O-CB 3.44Å; V646-L649 PolarHBondContact O-N 2.8Å; V646-L649 VanDerWaalsContact O-N 3.15Å; V646-E650 HydrophobicContact CG1-CG 4.42Å; V646-E650 WeakPolarHBondContact O-CG 3.45Å; V646-E650 PolarHBondContact O-N 3Å
647R85.7Confident86.4Confident141 Ų14190 Ų9053%0.53248%0.479SS..Hα-helixtrans-60.2-35.9176.9-70.6-174.4-153.194.2-13.5113K643 A644 E650 I651K643-R647 WeakPolarHBondContact O-CG 3.48Å; K643-R647 PolarHBondContact O-N 2.89Å; K643-R647 VanDerWaalsContact O-N 3.13Å; K643-R647 PolarHBondContact O-NH1 3.41Å; A644-R647 PolarHBondContact O-N 3.36Å; R647-E650 WeakPolarHBondContact CA-OE2 3.4Å; R647-E650 PolarHBondContact O-N 3.25Å; R647-I651 VanDerWaalsContact O-CG1 3.26Å; R647-I651 WeakPolarHBondContact O-CG1 3.46Å; R647-I651 PolarHBondContact O-N 3.46Å
648N89.7Confident86.3Confident89 Ų8993.6 Ų93.648%0.47649%0.486SS..Hα-helixtrans-69.8-36.8178.4-156.38.7000111.6A644 Y645 V646 I651 M652A644-N648 WeakPolarHBondContact O-CB 3.23Å; A644-N648 PolarHBondContact O-N 3.3Å; Y645-N648 PolarHBondContact O-N 3.06Å; V646-N648 VanDerWaalsContact C-N 3.27Å; V646-N648 PolarHBondContact O-N 3.31Å; N648-I651 PolarHBondContact O-N 3.37Å; N648-M652 PolarHBondContact O-N 3.14Å
649L87.7Confident86Confident102 Ų10295.2 Ų95.253%0.53449%0.488SS..Hα-helixtrans-65-43.1169.5-71166000111.7Y645 V646 I651 M652 V653Y645-L649 WeakPolarHBondContact O-CG 3.03Å; Y645-L649 PolarHBondContact O-N 2.9Å; V646-L649 WeakPolarHBondContact O-CB 3.44Å; V646-L649 PolarHBondContact O-N 2.8Å; V646-L649 VanDerWaalsContact O-N 3.15Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 2.84Å; L649-M652 HydrophobicContact CD2-CE 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; L649-V653 WeakPolarHBondContact O-CB 3.3Å; L649-V653 VanDerWaalsContact O-CG2 3.32Å; L649-V653 WeakPolarHBondContact O-CG2 3.46Å; L649-V653 PolarHBondContact O-N 3.48Å
650E87.1Confident85.7Confident108 Ų10896.2 Ų96.251%0.50550%0.496SS..Hα-helixtrans-59.8-41.6174-70.2174.1144.800111.8V646 R647 V653 N654V646-E650 HydrophobicContact CG1-CG 4.42Å; V646-E650 WeakPolarHBondContact O-CG 3.45Å; V646-E650 PolarHBondContact O-N 3Å; R647-E650 WeakPolarHBondContact CA-OE2 3.4Å; R647-E650 PolarHBondContact O-N 3.25Å; E650-V653 PolarHBondContact O-N 3.16Å; E650-N654 WeakPolarHBondContact O-CB 3.5Å; E650-N654 PolarHBondContact O-N 3.01Å; E650-N654 PolarHBondContact O-ND2 2.91Å
651I87.7Confident85.4Confident88 Ų8898.6 Ų98.645%0.45150%0.498SS..Hα-helixtrans-62.5-46.4175-71163.8000110.6R647 N648 L649 N654 Q655R647-I651 VanDerWaalsContact O-CG1 3.26Å; R647-I651 WeakPolarHBondContact O-CG1 3.46Å; R647-I651 PolarHBondContact O-N 3.46Å; N648-I651 PolarHBondContact O-N 3.37Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 2.84Å; I651-N654 PolarHBondContact O-N 3.14Å; I651-Q655 WeakPolarHBondContact O-CG 3.2Å; I651-Q655 PolarHBondContact O-N 3.36Å
652M86.7Confident84.9Confident84 Ų8499.2 Ų99.241%0.41450%0.501SS..Hα-helixtrans-63.7-41.5176.1-78.3-173.9-80.800112.7N648 L649 N654 Q655 L656N648-M652 PolarHBondContact O-N 3.14Å; L649-M652 HydrophobicContact CD2-CE 4.11Å; L649-M652 PolarHBondContact O-N 2.99Å; M652-N654 VanDerWaalsContact C-N 3.34Å; M652-N654 PolarHBondContact O-N 2.87Å; M652-Q655 PolarHBondContact O-N 2.98Å; M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CG 3.48Å; M652-L656 PolarHBondContact O-N 3.39Å
653V88.3Confident84.3Confident86 Ų86106.1 Ų106.152%0.52152%0.516SS..Hα-helixtrans-63.7-39.3175.8168.90000111.1L649 E650 S657L649-V653 WeakPolarHBondContact O-CB 3.3Å; L649-V653 VanDerWaalsContact O-CG2 3.32Å; L649-V653 WeakPolarHBondContact O-CG2 3.46Å; L649-V653 PolarHBondContact O-N 3.48Å; E650-V653 PolarHBondContact O-N 3.16Å; V653-S657 VanDerWaalsContact O-CB 3.27Å; V653-S657 WeakPolarHBondContact O-CB 3.49Å; V653-S657 PolarHBondContact O-N 3.33Å; V653-S657 PolarHBondContact O-OG 3.48Å
654N85.7Confident83.5Confident101 Ų101105 Ų10554%0.5452%0.52SS..Hα-helixtrans-68.3-37.1174.1-81.3-67.1000112.7E650 I651 M652 K658E650-N654 WeakPolarHBondContact O-CB 3.5Å; E650-N654 PolarHBondContact O-N 3.01Å; E650-N654 PolarHBondContact O-ND2 2.91Å; I651-N654 PolarHBondContact O-N 3.14Å; M652-N654 VanDerWaalsContact C-N 3.34Å; M652-N654 PolarHBondContact O-N 2.87Å; N654-K658 WeakPolarHBondContact O-CG 3.08Å; N654-K658 PolarHBondContact O-N 3.16Å
655Q86Confident82.5Confident111 Ų111108.1 Ų108.152%0.51952%0.524SS..Hα-helixtrans-66.9-45.6173.6-73.9175.53.300111.8I651 M652 S657 K658 Q659I651-Q655 WeakPolarHBondContact O-CG 3.2Å; I651-Q655 PolarHBondContact O-N 3.36Å; M652-Q655 PolarHBondContact O-N 2.98Å; Q655-S657 VanDerWaalsContact C-N 3.35Å; Q655-K658 PolarHBondContact O-N 3.22Å; Q655-Q659 WeakPolarHBondContact O-CG 3.43Å; Q655-Q659 PolarHBondContact O-N 2.84Å
656L86Confident80.9Confident98 Ų98106.2 Ų106.251%0.51353%0.525SS..Hα-helixtrans-63.3-39.8175.3-73.5169.2000111.6M652 Q659 L660M652-L656 WeakPolarHBondContact O-CB 3.43Å; M652-L656 WeakPolarHBondContact O-CG 3.48Å; M652-L656 PolarHBondContact O-N 3.39Å; L656-Q659 PolarHBondContact O-N 3.49Å; L656-L660 WeakPolarHBondContact O-CB 3.1Å; L656-L660 WeakPolarHBondContact O-CG 3.43Å; L656-L660 PolarHBondContact O-N 3.06Å
657S83.7Confident79.2Confident59 Ų59109.1 Ų109.141%0.41354%0.537SS..Hα-helixtrans-61.6-44.4173.8-60.50000111.2V653 Q655 L660 E661V653-S657 VanDerWaalsContact O-CB 3.27Å; V653-S657 WeakPolarHBondContact O-CB 3.49Å; V653-S657 PolarHBondContact O-N 3.33Å; V653-S657 PolarHBondContact O-OG 3.48Å; Q655-S657 VanDerWaalsContact C-N 3.35Å; S657-L660 PolarHBondContact O-N 3.27Å; S657-E661 WeakPolarHBondContact O-CB 3.27Å; S657-E661 PolarHBondContact O-N 2.91Å
658K83Confident77.4Confident142 Ų142106 Ų10662%0.61754%0.542SS*.Hα-helixtrans-63.2-40173.5-76.6177.8178.1178.70112.8N654 Q655 E661 Q662N654-K658 WeakPolarHBondContact O-CG 3.08Å; N654-K658 PolarHBondContact O-N 3.16Å; Q655-K658 PolarHBondContact O-N 3.22Å; K658-E661 PolarHBondContact O-N 2.89Å; K658-Q662 WeakPolarHBondContact O-CB 3.35Å; K658-Q662 VanDerWaalsContact O-CG 3.25Å; K658-Q662 WeakPolarHBondContact O-CG 3.44Å; K658-Q662 PolarHBondContact O-N 2.91Å
659Q79.5Confident75.2Confident111 Ų111108.9 Ų108.952%0.51956%0.557SS.*Hα-helixtrans-67.7-37.2175.3-74.1-172.46.800112.5Q655 L656 R663Q655-Q659 WeakPolarHBondContact O-CG 3.43Å; Q655-Q659 PolarHBondContact O-N 2.84Å; L656-Q659 PolarHBondContact O-N 3.49Å; Q659-R663 WeakPolarHBondContact O-CB 3.18Å; Q659-R663 WeakPolarHBondContact O-CG 3.12Å; Q659-R663 PolarHBondContact O-N 3.15Å
660L77.9Confident72.5Confident119 Ų119106.5 Ų106.562%0.62356%0.557SS**Hα-helixtrans-68.3-38.7173.8-76.9168.8000111.6L656 S657 R663 S664L656-L660 WeakPolarHBondContact O-CB 3.1Å; L656-L660 WeakPolarHBondContact O-CG 3.43Å; L656-L660 PolarHBondContact O-N 3.06Å; S657-L660 PolarHBondContact O-N 3.27Å; L660-R663 PolarHBondContact O-N 3.01Å; L660-S664 WeakPolarHBondContact O-CB 3.31Å; L660-S664 PolarHBondContact O-N 3.42Å
661E78Confident69.8Low103 Ų103108.8 Ų108.848%0.48158%0.578SS.*Hα-helixtrans-70.2-36.8175.6-157-168.2155.900111.6S657 K658 S664 K665S657-E661 WeakPolarHBondContact O-CB 3.27Å; S657-E661 PolarHBondContact O-N 2.91Å; K658-E661 PolarHBondContact O-N 2.89Å; E661-S664 PolarHBondContact O-N 3.41Å; E661-K665 WeakPolarHBondContact O-CB 3.3Å; E661-K665 VanDerWaalsContact O-CG 3.27Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.46Å; E661-K665 VanDerWaalsContact OE1-CE 3.29Å; E661-K665 WeakPolarHBondContact OE1-CE 3.37Å; E661-K665 IonicContact OE1-NZ 3.73Å; E661-K665 PolarHBondContact OE1-NZ 2.83Å
662Q74.8Confident67.1Low123 Ų123107.5 Ų107.558%0.57559%0.586SS**Hα-helixtrans-64-47.7169.7-77173.5-13.800111.5K658 S664 K665 L666K658-Q662 WeakPolarHBondContact O-CB 3.35Å; K658-Q662 VanDerWaalsContact O-CG 3.25Å; K658-Q662 WeakPolarHBondContact O-CG 3.44Å; K658-Q662 PolarHBondContact O-N 2.91Å; Q662-S664 VanDerWaalsContact C-N 3.32Å; Q662-S664 PolarHBondContact O-N 3.36Å; Q662-K665 PolarHBondContact O-N 2.76Å; Q662-L666 WeakPolarHBondContact O-CG 3.36Å; Q662-L666 PolarHBondContact O-N 3.13Å
663R72.2Confident64.4Low178 Ų178110.5 Ų110.567%0.67260%0.604SS**Hα-helixtrans-62.5-37.5174.7-82.8-174.3161.4-159.4-6.6112.2Q659 L660 L666 L667Q659-R663 WeakPolarHBondContact O-CB 3.18Å; Q659-R663 WeakPolarHBondContact O-CG 3.12Å; Q659-R663 PolarHBondContact O-N 3.15Å; L660-R663 PolarHBondContact O-N 3.01Å; R663-L666 PolarHBondContact O-N 3.24Å; R663-L667 WeakPolarHBondContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CD1 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.23Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3Å
664S71.8Confident61.7Low70 Ų70113.7 Ų113.749%0.4962%0.618SS.*Hα-helixtrans-62.9-43.9173.9177.50000111.4L660 E661 Q662 L666 L667 A668L660-S664 WeakPolarHBondContact O-CB 3.31Å; L660-S664 PolarHBondContact O-N 3.42Å; E661-S664 PolarHBondContact O-N 3.41Å; Q662-S664 VanDerWaalsContact C-N 3.32Å; Q662-S664 PolarHBondContact O-N 3.36Å; S664-L666 VanDerWaalsContact C-N 3.35Å; S664-L666 PolarHBondContact O-N 2.93Å; S664-L667 PolarHBondContact O-N 3.07Å; S664-A668 WeakPolarHBondContact O-CB 3.41Å; S664-A668 PolarHBondContact O-N 2.69Å
665K63.8Low59.2Low117 Ų117116.8 Ų116.851%0.50963%0.63SS.*Hα-helixtrans-67.7-31.4175.6-72166.5-174.2171.90113.1E661 Q662 N669E661-K665 WeakPolarHBondContact O-CB 3.3Å; E661-K665 VanDerWaalsContact O-CG 3.27Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.46Å; E661-K665 VanDerWaalsContact OE1-CE 3.29Å; E661-K665 WeakPolarHBondContact OE1-CE 3.37Å; E661-K665 IonicContact OE1-NZ 3.73Å; E661-K665 PolarHBondContact OE1-NZ 2.83Å; Q662-K665 PolarHBondContact O-N 2.76Å; K665-N669 WeakPolarHBondContact O-CB 3.28Å; K665-N669 PolarHBondContact O-N 3.08Å
666L55.1Low56.6Low121 Ų121118.3 Ų118.363%0.63464%0.641SS**Hα-helixtrans-73.1-40.7172.3-71166.3000112.1Q662 R663 S664 N669 G670Q662-L666 WeakPolarHBondContact O-CG 3.36Å; Q662-L666 PolarHBondContact O-N 3.13Å; R663-L666 PolarHBondContact O-N 3.24Å; S664-L666 VanDerWaalsContact C-N 3.35Å; S664-L666 PolarHBondContact O-N 2.93Å; L666-N669 CarbonylContact O-C 3.22Å; L666-N669 VanDerWaalsContact O-C 3.22Å; L666-N669 PolarHBondContact O-N 3.43Å; L666-G670 WeakPolarHBondContact O-CA 3.28Å; L666-G670 PolarHBondContact O-N 2.93Å
667L52.6Low54.1Low140 Ų140122.5 Ų122.573%0.73366%0.658SS**Hα-helixtrans-69.6-31.5175.9-73.2165.4000112.6R663 S664 N669R663-L667 WeakPolarHBondContact O-CB 3.31Å; R663-L667 WeakPolarHBondContact O-CD1 3.48Å; R663-L667 VanDerWaalsContact O-CG 3.23Å; R663-L667 WeakPolarHBondContact O-CG 3.45Å; R663-L667 PolarHBondContact O-N 3Å; S664-L667 PolarHBondContact O-N 3.07Å; L667-N669 VanDerWaalsContact C-N 3.31Å
668A48.2Very low51.6Low77 Ų77129.2 Ų129.264%0.63668%0.683SS**Hα-helixtrans-69.7-28.4171.700000112.9S664S664-A668 WeakPolarHBondContact O-CB 3.41Å; S664-A668 PolarHBondContact O-N 2.69Å
669N42.5Very low49.1Very low148 Ų148125.8 Ų125.879%0.79169%0.688SS**THydrogen-bonded Turntrans-115.642.6-177.9-65.5-18.1000111.5K665 L666 L667K665-N669 WeakPolarHBondContact O-CB 3.28Å; K665-N669 PolarHBondContact O-N 3.08Å; L666-N669 CarbonylContact O-C 3.22Å; L666-N669 VanDerWaalsContact O-C 3.22Å; L666-N669 PolarHBondContact O-N 3.43Å; L667-N669 VanDerWaalsContact C-N 3.31Å
670G31.7Very low47.2Very low53 Ų53129.6 Ų129.655%0.54671%0.706SS.*  trans-149.138.2-164.600000116.5L666 G672L666-G670 WeakPolarHBondContact O-CA 3.28Å; L666-G670 PolarHBondContact O-N 2.93Å; G670-G672 PolarHBondContact O-N 2.83Å
671V31.2Very low45.1Very low155 Ų155130.1 Ų130.194%0.93971%0.71SS**  trans-88.393.9168.6-178.50000109
672G30.7Very low43.5Very low61 Ų61131.9 Ų131.963%0.62972%0.722SS**  trans170.585.7177.800000116.6G670G670-G672 PolarHBondContact O-N 2.83Å
673N29.6Very low42.1Very low148 Ų148132.6 Ų132.679%0.79173%0.726SS**  trans72154.5145-69.222.5000122.7
674D32.5Very low41.1Very low153 Ų153131.9 Ų131.982%0.81873%0.727SS**  trans76.2147158.5-56.3-16.9000119.9
675E32.2Very low40Very low166 Ų166133 Ų13378%0.77673%0.728SS**  trans-117.1175.1-155.2-57.1174.5142.200111.7
676N32.3Very low39.7Very low143 Ų143131.7 Ų131.777%0.76573%0.729SS**  trans76.4153.6175.7-40.8-73.9000113.9
677E32.2Very low39.7Very low185 Ų185131.9 Ų131.986%0.86473%0.725SS**  cis-142.9152.612.8-153.9161.4-117.400111.1
678E32Very low39.9Very low200 Ų200128.3 Ų128.394%0.93571%0.709SS**  trans-95.5150.2-179.3-61-176120.700112.4
679G31.2Very low40.8Very low71 Ų71130 Ų13073%0.73270%0.702SS**  trans152.8144.2158.500000117.4
680Q37.8Very low41.9Very low191 Ų191128.6 Ų128.689%0.89369%0.691SS**  trans95.682.7174.3-57.9-175.4-2.900117.1
681N35Very low43.7Very low130 Ų130131 Ų13170%0.69569%0.691SS**  trans-123.9-12.8173.3-89.4-44.7000115.4E683N681-E683 PolarHBondContact O-N 3.06Å
682D44.3Very low45.6Very low139 Ų139128.1 Ų128.174%0.74367%0.669SS**THydrogen-bonded Turntrans-80-21.5-159.2-51-66.7000115.8K684D682-K684 VanDerWaalsContact C-N 3.27Å; D682-K684 PolarHBondContact O-N 2.98Å
683E46.1Very low47.8Very low139 Ų139128.8 Ų128.865%0.6566%0.661SS**THydrogen-bonded Turntrans-71.3-20.1-175.1-151.3-153125.100113.7N681 K687N681-E683 PolarHBondContact O-N 3.06Å; E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.96Å
684K49.9Very low49.9Very low162 Ų162127.7 Ų127.770%0.70465%0.651SS**Hα-helixtrans-78.2-26.5-176.8-70.3175.9-178.71660113D682 V686D682-K684 VanDerWaalsContact C-N 3.27Å; D682-K684 PolarHBondContact O-N 2.98Å; K684-V686 VanDerWaalsContact C-N 3.31Å; K684-V686 PolarHBondContact O-N 3.35Å
685D49.1Very low51.8Low94 Ų94124.9 Ų124.950%0.50364%0.635SS.*Hα-helixtrans-88.24.4-173-160.143.3000113.8T688 K689D685-T688 WeakPolarHBondContact CA-OG1 3.34Å; D685-T688 PolarHBondContact O-OG1 2.93Å; D685-T688 PolarHBondContact OD1-OG1 3.49Å; D685-K689 PolarHBondContact O-NZ 3.04Å; D685-K689 IonicContact OD1-NZ 3.86Å; D685-K689 IonicContact OD2-NZ 3.08Å; D685-K689 PolarHBondContact OD2-NZ 2.87Å
686V56.6Low54Low89 Ų89122.9 Ų122.954%0.53963%0.626SS.*Hα-helixtrans-91.3-50.3169.9-178.70000110.4K684 T688 K689 E690K684-V686 VanDerWaalsContact C-N 3.31Å; K684-V686 PolarHBondContact O-N 3.35Å; V686-T688 PolarHBondContact O-N 3.26Å; V686-K689 WeakPolarHBondContact O-CB 3.11Å; V686-K689 PolarHBondContact O-N 2.85Å; V686-E690 PolarHBondContact O-N 3.36Å
687K56.6Low56Low126 Ų126121.3 Ų121.355%0.54862%0.618SS.*Hα-helixtrans-61.6-28.3-178.9-71.7164.2175.4162.50113E683 K689 L691E683-K687 IonicContact OE1-NZ 2.76Å; E683-K687 PolarHBondContact OE1-NZ 2.96Å; K687-K689 VanDerWaalsContact C-N 3.32Å; K687-L691 PolarHBondContact O-N 2.83Å
688T56.4Low58.1Low64 Ų64117.8 Ų117.839%0.39360%0.601SS.*Hα-helixtrans-66.3-30.2171.848.10000113.2D685 V686 I692D685-T688 WeakPolarHBondContact CA-OG1 3.34Å; D685-T688 PolarHBondContact O-OG1 2.93Å; D685-T688 PolarHBondContact OD1-OG1 3.49Å; V686-T688 PolarHBondContact O-N 3.26Å; T688-I692 WeakPolarHBondContact O-CD1 3.31Å; T688-I692 VanDerWaalsContact O-CG1 3.29Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 3.2Å
689K66.4Low60.2Low114 Ų114112.7 Ų112.750%0.49658%0.58SS.*Hα-helixtrans-83.8-37.7-176.2-63.3-173.6-179.887.90112.4D685 V686 K687 I692 T693D685-K689 PolarHBondContact O-NZ 3.04Å; D685-K689 IonicContact OD1-NZ 3.86Å; D685-K689 IonicContact OD2-NZ 3.08Å; D685-K689 PolarHBondContact OD2-NZ 2.87Å; V686-K689 WeakPolarHBondContact O-CB 3.11Å; V686-K689 PolarHBondContact O-N 2.85Å; K687-K689 VanDerWaalsContact C-N 3.32Å; K689-I692 PolarHBondContact O-N 3.45Å; K689-T693 PolarHBondContact O-N 3.18Å
690E66.2Low62.5Low118 Ų118111.7 Ų111.755%0.55157%0.565SS**Hα-helixtrans-60.7-47172.9-70.1178.3124.100111.3V686 I692 T693 E694V686-E690 PolarHBondContact O-N 3.36Å; E690-I692 VanDerWaalsContact C-N 3.27Å; E690-I692 PolarHBondContact O-N 2.9Å; E690-T693 WeakPolarHBondContact CA-OG1 3.38Å; E690-T693 WeakPolarHBondContact O-CA 3.41Å; E690-T693 PolarHBondContact O-N 3.42Å; E690-T693 PolarHBondContact O-OG1 3.46Å; E690-E694 PolarHBondContact O-N 3.17Å
691L70Confident64.5Low103 Ų103107 Ų10754%0.53955%0.549SS..Hα-helixtrans-58.5-36.7177.9-167.972.4000112.9K687 T693 L695K687-L691 PolarHBondContact O-N 2.83Å; L691-T693 VanDerWaalsContact C-N 3.34Å; L691-L695 HydrophobicContact CG-CD1 4.44Å; L691-L695 WeakPolarHBondContact O-CG 3.39Å; L691-L695 PolarHBondContact O-N 3.38Å; L691-L695 VanDerWaalsContact O-N 3.16Å
692I71.5Confident66.5Low94 Ų94106.3 Ų106.348%0.48254%0.542SS..Hα-helixtrans-66.8-35.9175.1-70.8166.5000111.2T688 K689 E690 Q696T688-I692 WeakPolarHBondContact O-CD1 3.31Å; T688-I692 VanDerWaalsContact O-CG1 3.29Å; T688-I692 WeakPolarHBondContact O-CG1 3.4Å; T688-I692 PolarHBondContact O-N 3.2Å; K689-I692 PolarHBondContact O-N 3.45Å; E690-I692 VanDerWaalsContact C-N 3.27Å; E690-I692 PolarHBondContact O-N 2.9Å; I692-Q696 VanDerWaalsContact O-CG 3.32Å; I692-Q696 WeakPolarHBondContact O-CG 3.27Å; I692-Q696 PolarHBondContact O-N 2.88Å; I692-Q696 VanDerWaalsContact O-N 3.17Å
693T74.8Confident68.3Low76 Ų76107.4 Ų107.447%0.46654%0.535SS..Hα-helixtrans-74.3-33177.550.50000113.6K689 E690 L691 Q696 N697K689-T693 PolarHBondContact O-N 3.18Å; E690-T693 WeakPolarHBondContact CA-OG1 3.38Å; E690-T693 WeakPolarHBondContact O-CA 3.41Å; E690-T693 PolarHBondContact O-N 3.42Å; E690-T693 PolarHBondContact O-OG1 3.46Å; L691-T693 VanDerWaalsContact C-N 3.34Å; T693-Q696 PolarHBondContact O-N 2.89Å; T693-N697 PolarHBondContact O-N 3.2Å; T693-N697 PolarHBondContact O-ND2 3Å
694E73.8Confident69.8Low124 Ų124104.8 Ų104.858%0.57953%0.526SS*.Hα-helixtrans-65.8-48.9173-68.9-175.1126.500111.2E690 Q696 N697 E698E690-E694 PolarHBondContact O-N 3.17Å; E694-Q696 PolarHBondContact O-N 2.82Å; E694-N697 WeakPolarHBondContact O-CB 3.44Å; E694-N697 PolarHBondContact O-N 2.75Å; E694-E698 PolarHBondContact O-N 3.45Å; E694-E698 VanDerWaalsContact O-N 3.1Å
695L74.3Confident71.3Confident94 Ų94101.6 Ų101.649%0.49252%0.516SS..Hα-helixtrans-59-31.9176.2-72.2169.2000113L691 L699L691-L695 HydrophobicContact CG-CD1 4.44Å; L691-L695 WeakPolarHBondContact O-CG 3.39Å; L691-L695 PolarHBondContact O-N 3.38Å; L691-L695 VanDerWaalsContact O-N 3.16Å; L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.33Å; L695-L699 VanDerWaalsContact O-N 3.11Å
696Q76.5Confident72.6Confident124 Ų124101 Ų10158%0.57952%0.516SS*.Hα-helixtrans-70.6-32.9174.3-78-179.87.900113.2I692 T693 E694 A700I692-Q696 VanDerWaalsContact O-CG 3.32Å; I692-Q696 WeakPolarHBondContact O-CG 3.27Å; I692-Q696 PolarHBondContact O-N 2.88Å; I692-Q696 VanDerWaalsContact O-N 3.17Å; T693-Q696 PolarHBondContact O-N 2.89Å; E694-Q696 PolarHBondContact O-N 2.82Å; Q696-A700 PolarHBondContact O-N 3.45Å
697N76.1Confident73.7Confident110 Ų110100.9 Ų100.959%0.58852%0.515SS*.Hα-helixtrans-72.4-40.3175.9-75-35.2000111.9T693 E694 L699 A700 T701T693-N697 PolarHBondContact O-N 3.2Å; T693-N697 PolarHBondContact O-ND2 3Å; E694-N697 WeakPolarHBondContact O-CB 3.44Å; E694-N697 PolarHBondContact O-N 2.75Å; N697-L699 VanDerWaalsContact C-N 3.33Å; N697-L699 PolarHBondContact O-N 2.81Å; N697-A700 WeakPolarHBondContact O-CB 3.49Å; N697-A700 PolarHBondContact O-N 2.89Å; N697-T701 PolarHBondContact O-N 2.9Å; N697-T701 VanDerWaalsContact O-N 3.08Å
698E76.2Confident74.9Confident111 Ų111100.5 Ų100.552%0.51951%0.514SS..Hα-helixtrans-61.8-40.7171.3-67.3-170.4128.300111.7E694 A700 T701 H702E694-E698 PolarHBondContact O-N 3.45Å; E694-E698 VanDerWaalsContact O-N 3.1Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A700 VanDerWaalsContact O-N 3.16Å; E698-T701 PolarHBondContact O-N 2.85Å; E698-T701 PolarHBondContact O-OG1 3.37Å; E698-H702 PolarHBondContact O-CD2 3.17Å; E698-H702 PolarHBondContact O-N 2.82Å
699L75.4Confident75.6Confident93 Ų93101.4 Ų101.449%0.48752%0.515SS..Hα-helixtrans-66-13.4173.6-113165.9000114L695 N697 R703L695-L699 WeakPolarHBondContact O-CB 3.35Å; L695-L699 PolarHBondContact O-N 3.33Å; L695-L699 VanDerWaalsContact O-N 3.11Å; N697-L699 VanDerWaalsContact C-N 3.33Å; N697-L699 PolarHBondContact O-N 2.81Å; L699-R703 VanDerWaalsContact O-CD 3.31Å; L699-R703 WeakPolarHBondContact O-CD 3.39Å; L699-R703 VanDerWaalsContact O-CG 3.27Å; L699-R703 WeakPolarHBondContact O-CG 3.35Å; L699-R703 PolarHBondContact O-NH1 3.15Å
700A79.7Confident76.1Confident51 Ų51104.2 Ų104.242%0.42152%0.523SS..Hα-helixtrans-87.1-46.6170.800000111.3Q696 N697 E698 H702 R703 D704Q696-A700 PolarHBondContact O-N 3.45Å; N697-A700 WeakPolarHBondContact O-CB 3.49Å; N697-A700 PolarHBondContact O-N 2.89Å; E698-A700 PolarHBondContact O-N 3.5Å; E698-A700 VanDerWaalsContact O-N 3.16Å; A700-H702 PolarHBondContact O-N 3.31Å; A700-R703 PolarHBondContact O-N 2.76Å; A700-D704 PolarHBondContact O-N 2.97Å
701T79.2Confident76.8Confident91 Ų91105 Ų10556%0.55853%0.527SS*.Hα-helixtrans-64.5-40.2179.657.50000112.2N697 E698 R703 D704 L705N697-T701 PolarHBondContact O-N 2.9Å; N697-T701 VanDerWaalsContact O-N 3.08Å; E698-T701 PolarHBondContact O-N 2.85Å; E698-T701 PolarHBondContact O-OG1 3.37Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 PolarHBondContact O-N 2.81Å; T701-D704 PolarHBondContact O-N 3.22Å; T701-L705 PolarHBondContact O-N 2.72Å; T701-L705 VanDerWaalsContact O-N 3.07Å
702H76.7Confident76.9Confident117 Ų117106.5 Ų106.554%0.54253%0.526SS..Hα-helixtrans-62.5-36.6174.5-75.8-59.1000113.1E698 A700 L705 V706E698-H702 PolarHBondContact O-CD2 3.17Å; E698-H702 PolarHBondContact O-N 2.82Å; A700-H702 PolarHBondContact O-N 3.31Å; H702-L705 PolarHBondContact O-N 2.84Å; H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.38Å; H702-V706 VanDerWaalsContact O-N 3.08Å
703R81.7Confident76.8Confident161 Ų161105.3 Ų105.361%0.60852%0.52SS*.Hα-helixtrans-65.8-43.2176.6-77.2176.2178.3122.5-9.6111.8L699 A700 T701 L705 V706 V707L699-R703 VanDerWaalsContact O-CD 3.31Å; L699-R703 WeakPolarHBondContact O-CD 3.39Å; L699-R703 VanDerWaalsContact O-CG 3.27Å; L699-R703 WeakPolarHBondContact O-CG 3.35Å; L699-R703 PolarHBondContact O-NH1 3.15Å; A700-R703 PolarHBondContact O-N 2.76Å; T701-R703 VanDerWaalsContact C-N 3.34Å; T701-R703 PolarHBondContact O-N 2.81Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.23Å; R703-V706 PolarHBondContact O-N 3.06Å; R703-V707 WeakPolarHBondContact O-CG2 3.28Å; R703-V707 PolarHBondContact O-N 3.39Å
704D79.5Confident76.8Confident84 Ų84106.4 Ų106.445%0.44953%0.531SS..Hα-helixtrans-65.3-36.3179.1-170.459.6000112A700 T701 V707 K708A700-D704 PolarHBondContact O-N 2.97Å; T701-D704 PolarHBondContact O-N 3.22Å; D704-V707 PolarHBondContact O-N 3.03Å; D704-K708 WeakPolarHBondContact O-CG 3.45Å; D704-K708 PolarHBondContact O-N 2.99Å; D704-K708 VanDerWaalsContact O-N 3.13Å; D704-K708 WeakPolarHBondContact OD2-CE 3.47Å; D704-K708 IonicContact OD2-NZ 2.69Å; D704-K708 PolarHBondContact OD2-NZ 3.45Å
705L79.7Confident76.9Confident95 Ų95104.3 Ų104.350%0.49753%0.53SS..Hα-helixtrans-65.1-41.9173-149.5166.4000111.8T701 H702 R703 V707 K708 L709T701-L705 PolarHBondContact O-N 2.72Å; T701-L705 VanDerWaalsContact O-N 3.07Å; H702-L705 PolarHBondContact O-N 2.84Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.23Å; L705-V707 VanDerWaalsContact C-N 3.32Å; L705-V707 PolarHBondContact O-N 3.43Å; L705-K708 PolarHBondContact O-N 2.73Å; L705-L709 HydrophobicContact CD2-CD1 3.63Å; L705-L709 HydrophobicContact CD2-CG 4.01Å; L705-L709 PolarHBondContact O-N 3.35Å
706V76.8Confident76.4Confident82 Ų82103.4 Ų103.450%0.49752%0.523SS..Hα-helixtrans-64.5-32.6174.9168.50000112.6H702 R703 R710H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.38Å; H702-V706 VanDerWaalsContact O-N 3.08Å; R703-V706 PolarHBondContact O-N 3.06Å; V706-R710 WeakPolarHBondContact O-CB 3.37Å; V706-R710 PolarHBondContact O-N 3.36Å; V706-R710 VanDerWaalsContact O-N 3.16Å
707V80.8Confident75.7Confident87 Ų87101.3 Ų101.353%0.52752%0.522SS..Hα-helixtrans-66.3-47.6172.7172.50000110.7R703 D704 L705 L709 R710 E711R703-V707 WeakPolarHBondContact O-CG2 3.28Å; R703-V707 PolarHBondContact O-N 3.39Å; D704-V707 PolarHBondContact O-N 3.03Å; L705-V707 VanDerWaalsContact C-N 3.32Å; L705-V707 PolarHBondContact O-N 3.43Å; V707-L709 PolarHBondContact O-N 2.75Å; V707-R710 WeakPolarHBondContact O-CB 3.18Å; V707-R710 PolarHBondContact O-N 3.28Å; V707-R710 VanDerWaalsContact O-N 3.09Å; V707-E711 PolarHBondContact O-N 3.26Å
708K81.5Confident74.9Confident118 Ų118101.5 Ų101.551%0.51352%0.523SS..Hα-helixtrans-61.1-40.3178.6-72.7161.4178.4165.90112.7D704 L705 R710 E711 Y712D704-K708 WeakPolarHBondContact O-CG 3.45Å; D704-K708 PolarHBondContact O-N 2.99Å; D704-K708 VanDerWaalsContact O-N 3.13Å; D704-K708 WeakPolarHBondContact OD2-CE 3.47Å; D704-K708 IonicContact OD2-NZ 2.69Å; D704-K708 PolarHBondContact OD2-NZ 3.45Å; L705-K708 PolarHBondContact O-N 2.73Å; K708-R710 PolarHBondContact O-N 2.9Å; K708-E711 PolarHBondContact O-N 2.87Å; K708-Y712 WeakPolarHBondContact O-CB 3.35Å; K708-Y712 PolarHBondContact O-N 2.69Å
709L70.4Confident74.1Confident82 Ų8298.7 Ų98.743%0.42951%0.514SS..Hα-helixtrans-62.8-39.7173.1-75.8167.7000112.5L705 V707 Y712 L713L705-L709 HydrophobicContact CD2-CD1 3.63Å; L705-L709 HydrophobicContact CD2-CG 4.01Å; L705-L709 PolarHBondContact O-N 3.35Å; V707-L709 PolarHBondContact O-N 2.75Å; L709-Y712 PolarHBondContact O-N 3.29Å; L709-L713 WeakPolarHBondContact O-CB 3.4Å; L709-L713 WeakPolarHBondContact O-CG 3.41Å; L709-L713 PolarHBondContact O-N 3.01Å
710R77Confident73.2Confident174 Ų17496.8 Ų96.866%0.65751%0.508SS*.Hα-helixtrans-66.5-37.8177.4-174.3179.3-62.8-86.2-3.9112.2V706 V707 K708 S714V706-R710 WeakPolarHBondContact O-CB 3.37Å; V706-R710 PolarHBondContact O-N 3.36Å; V706-R710 VanDerWaalsContact O-N 3.16Å; V707-R710 WeakPolarHBondContact O-CB 3.18Å; V707-R710 PolarHBondContact O-N 3.28Å; V707-R710 VanDerWaalsContact O-N 3.09Å; K708-R710 PolarHBondContact O-N 2.9Å; R710-S714 WeakPolarHBondContact O-CB 3.35Å; R710-S714 PolarHBondContact O-N 2.94Å; R710-S714 PolarHBondContact O-OG 3.03Å
711E80.4Confident72Confident135 Ų13597.9 Ų97.963%0.63151%0.512SS*.Hα-helixtrans-69.8-39.7175.9-170.3168-140.600111.8V707 K708 S714 S715V707-E711 PolarHBondContact O-N 3.26Å; K708-E711 PolarHBondContact O-N 2.87Å; E711-S714 PolarHBondContact O-N 3.05Å; E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 PolarHBondContact O-OG 3.16Å
712Y72.7Confident70.6Confident134 Ų13499.8 Ų99.853%0.52552%0.515SS..Hα-helixtrans-62.5-46.9173.4-172.9-102.7000112.5K708 L709 S714 S715 H716K708-Y712 WeakPolarHBondContact O-CB 3.35Å; K708-Y712 PolarHBondContact O-N 2.69Å; L709-Y712 PolarHBondContact O-N 3.29Å; Y712-S714 VanDerWaalsContact C-N 3.32Å; Y712-S714 PolarHBondContact O-N 3.31Å; Y712-S715 WeakPolarHBondContact CA-OG 3.41Å; Y712-S715 PolarHBondContact O-N 2.98Å; Y712-S715 PolarHBondContact O-OG 3.46Å; Y712-H716 AromaticContact CD2-CE1 3.78Å; Y712-H716 AromaticContact CD2-ND1 3.87Å; Y712-H716 AromaticContact CE2-CE1 3.39Å; Y712-H716 WeakPolarHBondContact CE2-CE1 3.37Å; Y712-H716 AromaticContact CE2-ND1 3.74Å; Y712-H716 AromaticContact CE2-NE2 3.94Å; Y712-H716 AromaticContact CZ-CE1 3.91Å; Y712-H716 PolarHBondContact O-N 2.92Å; Y712-H716 PolarHBondContact O-ND1 3.4Å
713L69.4Low69.3Low68 Ų6898.6 Ų98.636%0.35651%0.512SS..Hα-helixtrans-65.6-33.8176.1-70.9168.4000112.6L709 S715 H716 V719 L723L709-L713 WeakPolarHBondContact O-CB 3.4Å; L709-L713 WeakPolarHBondContact O-CG 3.41Å; L709-L713 PolarHBondContact O-N 3.01Å; L713-S715 VanDerWaalsContact C-N 3.32Å; L713-S715 PolarHBondContact O-N 3.24Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 PolarHBondContact O-N 2.63Å; L713-V719 HydrophobicContact CD2-CG1 4.32Å; L713-L723 HydrophobicContact CD2-CD1 3.78Å
714S75.3Confident67.8Low99 Ų9997.9 Ų97.969%0.69252%0.52SS*.Hα-helixtrans-72.1-24.6177.1-57.20000113.4R710 E711 Y712R710-S714 WeakPolarHBondContact O-CB 3.35Å; R710-S714 PolarHBondContact O-N 2.94Å; R710-S714 PolarHBondContact O-OG 3.03Å; E711-S714 PolarHBondContact O-N 3.05Å; Y712-S714 VanDerWaalsContact C-N 3.32Å; Y712-S714 PolarHBondContact O-N 3.31Å
715S75.7Confident66.3Low81 Ų8198.3 Ų98.357%0.56653%0.53SS*.Hα-helixtrans-88.2-14.1174.844.80000113.5E711 Y712 L713E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 PolarHBondContact O-OG 3.16Å; Y712-S715 WeakPolarHBondContact CA-OG 3.41Å; Y712-S715 PolarHBondContact O-N 2.98Å; Y712-S715 PolarHBondContact O-OG 3.46Å; L713-S715 VanDerWaalsContact C-N 3.32Å; L713-S715 PolarHBondContact O-N 3.24Å
716H62.9Low64.2Low75 Ų7599 Ų9935%0.34753%0.534SS..  trans-121.567.2-178.3-62.376.6000111.6Y712 L713 D718 V719 S720Y712-H716 AromaticContact CD2-CE1 3.78Å; Y712-H716 AromaticContact CD2-ND1 3.87Å; Y712-H716 AromaticContact CE2-CE1 3.39Å; Y712-H716 WeakPolarHBondContact CE2-CE1 3.37Å; Y712-H716 AromaticContact CE2-ND1 3.74Å; Y712-H716 AromaticContact CE2-NE2 3.94Å; Y712-H716 AromaticContact CZ-CE1 3.91Å; Y712-H716 PolarHBondContact O-N 2.92Å; Y712-H716 PolarHBondContact O-ND1 3.4Å; L713-H716 CarbonylContact O-C 3.57Å; L713-H716 PolarHBondContact O-N 2.63Å; H716-D718 PolarHBondContact O-N 2.83Å; H716-V719 HydrophobicContact CB-CB 4.15Å; H716-V719 HydrophobicContact CB-CG2 3.9Å; H716-V719 WeakPolarHBondContact O-CB 3.29Å; H716-V719 PolarHBondContact O-N 3.41Å; H716-S720 PolarHBondContact O-N 2.77Å
717S63.3Low62.6Low79 Ų79101.6 Ų101.655%0.55255%0.55SS**Hα-helixtrans-38.1-42.6170.71530000113.6V719 S720 S721S717-V719 VanDerWaalsContact C-N 3.29Å; S717-V719 PolarHBondContact O-N 3.5Å; S717-S720 WeakPolarHBondContact O-CB 3.26Å; S717-S720 PolarHBondContact O-N 2.8Å; S717-S721 PolarHBondContact O-N 2.7Å; S717-S721 PolarHBondContact O-OG 2.88Å; S717-S721 VanDerWaalsContact O-OG 3.06Å
718D59Low60.7Low114 Ų114106.4 Ų106.461%0.6157%0.567SS**Hα-helixtrans-77.8-17.6-170.6-49-19.5000112.2H716 S721 Q722H716-D718 PolarHBondContact O-N 2.83Å; D718-S721 WeakPolarHBondContact CA-OG 3.33Å; D718-S721 PolarHBondContact O-OG 3.42Å; D718-Q722 VanDerWaalsContact O-CG 3.28Å; D718-Q722 WeakPolarHBondContact O-CG 3.49Å; D718-Q722 PolarHBondContact O-NE2 3.47Å
719V58.3Low58.7Low53 Ų53102.9 Ų102.932%0.32156%0.564SS.*Hα-helixtrans-84.7-38.2169.3179.20000110L713 H716 S717 S721 Q722 L723L713-V719 HydrophobicContact CD2-CG1 4.32Å; H716-V719 HydrophobicContact CB-CB 4.15Å; H716-V719 HydrophobicContact CB-CG2 3.9Å; H716-V719 WeakPolarHBondContact O-CB 3.29Å; H716-V719 PolarHBondContact O-N 3.41Å; S717-V719 VanDerWaalsContact C-N 3.29Å; S717-V719 PolarHBondContact O-N 3.5Å; V719-S721 VanDerWaalsContact C-N 3.31Å; V719-S721 PolarHBondContact O-N 3.35Å; V719-Q722 PolarHBondContact O-N 3.48Å; V719-L723 HydrophobicContact CG1-CD1 4.3Å; V719-L723 PolarHBondContact O-N 3.14Å
720S56.5Low56.9Low53 Ų53101.4 Ų101.437%0.37156%0.564SS.*Hα-helixtrans-61.6-39.1175.2-165.50000112H716 S717 Q722 L723 D724H716-S720 PolarHBondContact O-N 2.77Å; S717-S720 WeakPolarHBondContact O-CB 3.26Å; S717-S720 PolarHBondContact O-N 2.8Å; S720-Q722 VanDerWaalsContact C-N 3.33Å; S720-L723 PolarHBondContact O-N 3.09Å; S720-D724 PolarHBondContact O-N 3.15Å
721S54.5Low55.2Low73 Ų7399.9 Ų99.951%0.5157%0.568SS.*Hα-helixtrans-76.5-16.6177.7490000114S717 D718 V719S717-S721 PolarHBondContact O-N 2.7Å; S717-S721 PolarHBondContact O-OG 2.88Å; S717-S721 VanDerWaalsContact O-OG 3.06Å; D718-S721 WeakPolarHBondContact CA-OG 3.33Å; D718-S721 PolarHBondContact O-OG 3.42Å; V719-S721 VanDerWaalsContact C-N 3.31Å; V719-S721 PolarHBondContact O-N 3.35Å
722Q50.2Low53.4Low132 Ų13299.5 Ų99.562%0.61757%0.57SS**Hα-helixtrans-78.4-40167.2-72.2171.126.900111.5D718 V719 S720 D724 S725D718-Q722 VanDerWaalsContact O-CG 3.28Å; D718-Q722 WeakPolarHBondContact O-CG 3.49Å; D718-Q722 PolarHBondContact O-NE2 3.47Å; V719-Q722 PolarHBondContact O-N 3.48Å; S720-Q722 VanDerWaalsContact C-N 3.33Å; Q722-D724 VanDerWaalsContact C-N 3.33Å; Q722-D724 PolarHBondContact O-N 3.06Å; Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 3.32Å; Q722-S725 VanDerWaalsContact O-N 3.11Å; Q722-S725 PolarHBondContact O-OG 3.26Å
723L48.6Very low51.8Low92 Ų92100.5 Ų100.548%0.48258%0.584SS.*Hα-helixtrans-60.1-37.7177.8-78.9162000113.4L713 V719 S720 S725 A730L713-L723 HydrophobicContact CD2-CD1 3.78Å; V719-L723 HydrophobicContact CG1-CD1 4.3Å; V719-L723 PolarHBondContact O-N 3.14Å; S720-L723 PolarHBondContact O-N 3.09Å; L723-S725 PolarHBondContact O-N 2.94Å; L723-S725 VanDerWaalsContact O-N 3.15Å; L723-A730 HydrophobicContact CD2-CB 4.43Å
724D51.4Low50.3Low145 Ų145103.7 Ų103.778%0.77560%0.6SS**THydrogen-bonded Turntrans-66.5-10.3176.7-78.1-26.3000114.1S720 Q722S720-D724 PolarHBondContact O-N 3.15Å; Q722-D724 VanDerWaalsContact C-N 3.33Å; Q722-D724 PolarHBondContact O-N 3.06Å
725S47.8Very low48.7Very low93 Ų93105.1 Ų105.165%0.6560%0.601SS**THydrogen-bonded Turntrans-101.2-16.5-165.7760000116.5Q722 L723Q722-S725 WeakPolarHBondContact O-CB 3.35Å; Q722-S725 PolarHBondContact O-N 3.32Å; Q722-S725 VanDerWaalsContact O-N 3.11Å; Q722-S725 PolarHBondContact O-OG 3.26Å; L723-S725 PolarHBondContact O-N 2.94Å; L723-S725 VanDerWaalsContact O-N 3.15Å
726N36.4Very low46.7Very low111 Ų111106.2 Ų106.259%0.59461%0.608SS**  trans-151.3101.5-170.7-163.3-0.2000113.9Q728N726-Q728 VanDerWaalsContact C-N 3.34Å; N726-Q728 PolarHBondContact O-N 3.14Å
727T41.8Very low45.4Very low135 Ų135108.7 Ų108.783%0.82863%0.631SS**THydrogen-bonded Turntrans-81.27.2-164.748.90000116.7
728Q41.6Very low43.9Very low189 Ų189112.1 Ų112.188%0.88364%0.641SS**THydrogen-bonded Turntrans-135.84.2-171.1-93.6170.7-39.600116.5N726N726-Q728 VanDerWaalsContact C-N 3.34Å; N726-Q728 PolarHBondContact O-N 3.14Å
729G38.4Very low42.7Very low43 Ų43114.9 Ų114.944%0.44366%0.655SS.*SBendtrans-122.66-178.200000116.4L731G729-L731 PolarHBondContact O-N 2.83Å
730A33.7Very low41.3Very low52 Ų52119.6 Ų119.643%0.4368%0.677SS.*  trans-87.1-0.9-165.200000116L723L723-A730 HydrophobicContact CD2-CB 4.43Å
731L40.4Very low40.1Very low141 Ų141120.5 Ų120.574%0.73870%0.695SS**SBendtrans-85.8-34.5-175.1-93.3154.7000113.9G729 L733G729-L731 PolarHBondContact O-N 2.83Å; L731-L733 VanDerWaalsContact C-N 3.32Å; L731-L733 PolarHBondContact O-N 2.92Å
732D43Very low39.2Very low127 Ų127125.9 Ų125.968%0.67971%0.709SS**G310 helixtrans-73.2-23.2-176-63.9-33.5000113.6L734 N735D732-L734 PolarHBondContact O-N 3.18Å; D732-L734 VanDerWaalsContact O-N 3.09Å; D732-N735 PolarHBondContact O-N 3Å
733L40.2Very low38.1Very low155 Ų155125.1 Ų125.181%0.81271%0.713SS**G310 helixtrans-69.4-3.4-179.6-74.2169.3000114.3L731L731-L733 VanDerWaalsContact C-N 3.32Å; L731-L733 PolarHBondContact O-N 2.92Å
734L37.4Very low37.3Very low135 Ų135128.2 Ų128.271%0.70773%0.73SS**G310 helixtrans-102.3-5.6176.5-65.3173.1000113.5D732D732-L734 PolarHBondContact O-N 3.18Å; D732-L734 VanDerWaalsContact O-N 3.09Å
735N41.7Very low36.2Very low130 Ų130128.5 Ų128.570%0.69573%0.731SS**SBendtrans-108.236-170.8-73.5-24.1000113.9D732D732-N735 PolarHBondContact O-N 3Å
736S33Very low35.3Very low103 Ų103131 Ų13172%0.7274%0.737SS**SBendtrans-142.3145.7177-77.60000113.9
737P37.1Very low35Very low127 Ų127134.2 Ų134.283%0.82575%0.748SS**  trans-79.1141.8-161.9-15.432.3000114.6L739P737-L739 PolarHBondContact O-N 3.36Å
738I30.8Very low34.4Very low152 Ų152137 Ų13778%0.77975%0.752SS**  trans-65.3124.4175.4-62.9164.3000110.5I740I738-I740 HydrophobicContact CG2-CD1 3.94Å; I738-I740 HydrophobicContact CG2-CG1 3.83Å
739L34.2Very low33.9Very low171 Ų171136 Ų13690%0.89575%0.748SS**  trans-121.4108.5171.5-111.4170000111.6P737P737-L739 PolarHBondContact O-N 3.36Å
740I29.5Very low33.4Very low152 Ų152138.1 Ų138.178%0.77976%0.761SS**  trans-92.7121-175.4-69.1158.5000109.8I738I738-I740 HydrophobicContact CG2-CD1 3.94Å; I738-I740 HydrophobicContact CG2-CG1 3.83Å
741G31.3Very low33.5Very low72 Ų72144.5 Ų144.574%0.74278%0.782SS**  trans-136.719.4-156.400000120.2
742K34.7Very low33Very low187 Ų187145.8 Ų145.881%0.81378%0.784SS**  trans55.4107.6160.4-66.9-177.9179.6176.40121
743T27.9Very low32.3Very low115 Ų115148.9 Ų148.971%0.70679%0.791SS**  54.7124.8127.562.10000121.7
744N31.8Very low31.7Very low158 Ų158150.9 Ų150.985%0.84579%0.794SS**  -163.5161.390.9-102.4-40.1000113.9
745L27.9Very low31.2Very low150 Ų150147.7 Ų147.779%0.78579%0.793SS**  trans-123.4171.5-178.5-129.678.1000110.8
746N29Very low30.6Very low145 Ų145147 Ų14778%0.77580%0.799SS**  trans71.8106.9165.5-55.7-25.7000118.4
747Q30Very low30.5Very low179 Ų179147.5 Ų147.584%0.83680%0.802SS**  -147.2101.2124.1-139.2173.422.400111.7
748Q28.9Very low30.1Very low194 Ų194152.7 Ų152.791%0.90781%0.805SS**  trans-101133.1153.5-74.8-177.3-13.400107.2
749Q30.9Very low30Very low169 Ų169151.9 Ų151.979%0.7981%0.808SS**  trans-141.1127.3159.9-94-171-1.200109.6
750A29.1Very low30.2Very low87 Ų87152.6 Ų152.672%0.71981%0.806SS**  trans-100.4155.6163.600000109
751Q34.7Very low30.6Very low186 Ų186151.2 Ų151.287%0.86981%0.811SS**  trans-122.4167.1163.7-75.5-163.1-7.700110.5
752H30.5Very low30.7Very low168 Ų168157.4 Ų157.478%0.77881%0.811SS**  trans-129.1169.8-153.9-93.7-98.3000112.6
753F28.6Very low31Very low192 Ų192155.3 Ų155.384%0.84281%0.805SS**  trans111.2145.6130.8-128-105.5000118.9
754F27.1Very low31.4Very low197 Ų197158.3 Ų158.386%0.86481%0.811SS**  trans-124.3153.3179.6-115.7-94.7000107.9
755G27Very low31.8Very low67 Ų67157.1 Ų157.169%0.69181%0.809SS**  trans68.577.4143.100000121
756S28.8Very low32.7Very low116 Ų116156.2 Ų156.281%0.81181%0.805SS**  58145.5126.8-136.80000125.1
757S30.1Very low33.4Very low114 Ų114156.1 Ų156.180%0.79780%0.804SS**  trans72.3121.2150.5-660000122.1
758R29.8Very low34.6Very low236 Ų236154.9 Ų154.989%0.89180%0.802SS**  178132.992.3-173.9170.2-169.6-178.25.6114
759T28.5Very low35.6Very low135 Ų135152.7 Ų152.783%0.82880%0.802SS**  trans-114.1176.6161.547.60000110.5
760Q37.9Very low36.4Very low185 Ų185150.4 Ų150.486%0.86480%0.802SS**  trans-107.2164.7-162.3-64.3-178.7-15.100115.6
761S37.4Very low36.6Very low124 Ų124157.8 Ų157.887%0.86781%0.812SS**  trans104.2158.6-179.775.80000116.5
762R34.8Very low36.8Very low202 Ų202153.9 Ų153.976%0.76281%0.805SS**  cis-172.7139.2-27168.5173.7177.7137.217.7113.7
763E39.6Very low37.1Very low143 Ų143152.7 Ų152.767%0.66880%0.804SS**  trans67-175.7159.4-73.8161.6-173.300123
764E37.9Very low37.8Very low178 Ų178148.2 Ų148.283%0.83279%0.792SS**  -145.7150.9-125.9-76173.6165.900121.4
765V39.2Very low39.4Very low133 Ų133143 Ų14381%0.80678%0.78SS**  trans83.2174.6136.1175.60000124.9
766N46.5Very low40.7Very low131 Ų131149 Ų14970%0.70178%0.783SS**  trans-131.8178.9-141.4-37-18.1000122.5
767D43.2Very low41.8Very low142 Ų142151.9 Ų151.976%0.75978%0.784SS**  trans101.3-179.6140.2-65.9-41.9000128.4
768L56.7Low43Very low154 Ų154148.9 Ų148.981%0.80676%0.759SS**  trans-132.4178.7-140.4-60.3159000120.6
769T48.9Very low44.5Very low147 Ų147140.3 Ų140.390%0.90274%0.739SS**  trans148.4166.6137.652.10000123
770P47.9Very low46.1Very low122 Ų122141.3 Ų141.379%0.79273%0.734SS**  trans-141.2-142.3-166.548.3-28.8000119.1
771R33.6Very low47.1Very low242 Ų242138 Ų13891%0.91372%0.72SS**  trans84.7164170.8-112-177.2-179.9-172.91.8116.9
772S38.9Very low48.5Very low103 Ų103136.1 Ų136.172%0.7270%0.696SS**  cis-159.2-168.30.761.50000109.2
773N36.4Very low50.5Low143 Ų143134 Ų13477%0.76569%0.692SS**  cis-164.5175.32.7-1670.2000109.9
774T44.3Very low52.1Low98 Ų98133.7 Ų133.760%0.60169%0.691SS**  trans-163.5167.9173.4-4.80000119L778 K782T774-L778 HydrophobicContact CG2-CD1 3.78Å; T774-L778 HydrophobicContact CG2-CD2 4.4Å; T774-K782 PolarHBondContact O-NZ 3.35Å
775S59.2Low53.9Low87 Ų87130.6 Ų130.661%0.60868%0.679SS**  trans-102.6-118.9-158.8-169.10000120.4L778 K782S775-L778 VanDerWaalsContact C-CB 3.44Å; S775-L778 VanDerWaalsContact O-CB 3.22Å; S775-L778 WeakPolarHBondContact O-CB 3.21Å; S775-K782 PolarHBondContact O-NZ 3.46Å
776Y54.6Low56.1Low193 Ų193128.6 Ų128.676%0.75767%0.667SS**SBendtrans-107-59.7-144.6-168.9-101.7000123.5L778 A779Y776-L778 CarbonylContact O-C 3.4Å; Y776-L778 PolarHBondContact O-N 2.95Å; Y776-A779 WeakPolarHBondContact O-CB 3.46Å; Y776-A779 PolarHBondContact O-N 3.01Å
777Q53.1Low57.9Low178 Ų178127.5 Ų127.583%0.83266%0.661SS**THydrogen-bonded Turntrans-61.9-28.8173.6-148178.516.800110.5A779 E780Q777-A779 PolarHBondContact O-N 3Å; Q777-E780 PolarHBondContact O-N 3.25Å
778L55.1Low59.8Low50 Ų50125.7 Ų125.726%0.26265%0.649SS.*Hα-helixtrans-29.3-7.1141.5-103.6136.5000118.6T774 S775 Y776 M781 K782T774-L778 HydrophobicContact CG2-CD1 3.78Å; T774-L778 HydrophobicContact CG2-CD2 4.4Å; S775-L778 VanDerWaalsContact C-CB 3.44Å; S775-L778 VanDerWaalsContact O-CB 3.22Å; S775-L778 WeakPolarHBondContact O-CB 3.21Å; Y776-L778 CarbonylContact O-C 3.4Å; Y776-L778 PolarHBondContact O-N 2.95Å; L778-M781 HydrophobicContact CG-CE 4.24Å; L778-K782 HydrophobicContact CD2-CG 4.37Å; L778-K782 VanDerWaalsContact O-CA 3.31Å; L778-K782 WeakPolarHBondContact O-CA 3.46Å; L778-K782 WeakPolarHBondContact O-CB 3.49Å; L778-K782 WeakPolarHBondContact O-CD 3.45Å; L778-K782 WeakPolarHBondContact O-CG 3.44Å; L778-K782 PolarHBondContact O-N 3.49Å
779A61.7Low61Low56 Ų56123.7 Ų123.746%0.46364%0.635SS.*Hα-helixtrans-82.2-45.417600000111.7Y776 Q777 K782 K783Y776-A779 WeakPolarHBondContact O-CB 3.46Å; Y776-A779 PolarHBondContact O-N 3.01Å; Q777-A779 PolarHBondContact O-N 3Å; A779-K782 WeakPolarHBondContact O-CB 3.01Å; A779-K782 PolarHBondContact O-N 2.9Å; A779-K783 PolarHBondContact O-N 3.44Å
780E60.5Low62.9Low156 Ų156121.9 Ų121.973%0.72962%0.615SS**Hα-helixtrans-75.3-39.3173.2-171.4156.2-135.900110.4Q777 K782 K783 Q784Q777-E780 PolarHBondContact O-N 3.25Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 3.29Å; E780-K783 WeakPolarHBondContact O-CB 3.14Å; E780-K783 PolarHBondContact O-N 3.19Å; E780-Q784 PolarHBondContact O-N 3.18Å
781M58.6Low64.6Low115 Ų115121.6 Ų121.657%0.56760%0.603SS**Hα-helixtrans-63-35.5166.4-58.5-160.2-51.600112L778 K783 Q784 L785L778-M781 HydrophobicContact CG-CE 4.24Å; M781-K783 VanDerWaalsContact C-N 3.26Å; M781-K783 PolarHBondContact O-N 2.91Å; M781-Q784 PolarHBondContact O-N 3.33Å; M781-L785 WeakPolarHBondContact O-CA 3.15Å; M781-L785 WeakPolarHBondContact O-CB 3.31Å; M781-L785 PolarHBondContact O-N 3.01Å
782K66.8Low67Low85 Ų85114.8 Ų114.837%0.3758%0.584SS.*Hα-helixtrans-61.4-35.1170.1-91159.4-168169.70111T774 S775 L778 A779 E780 L785 V786T774-K782 PolarHBondContact O-NZ 3.35Å; S775-K782 PolarHBondContact O-NZ 3.46Å; L778-K782 HydrophobicContact CD2-CG 4.37Å; L778-K782 VanDerWaalsContact O-CA 3.31Å; L778-K782 WeakPolarHBondContact O-CA 3.46Å; L778-K782 WeakPolarHBondContact O-CB 3.49Å; L778-K782 WeakPolarHBondContact O-CD 3.45Å; L778-K782 WeakPolarHBondContact O-CG 3.44Å; L778-K782 PolarHBondContact O-N 3.49Å; A779-K782 WeakPolarHBondContact O-CB 3.01Å; A779-K782 PolarHBondContact O-N 2.9Å; E780-K782 VanDerWaalsContact C-N 3.33Å; E780-K782 PolarHBondContact O-N 3.29Å; K782-L785 PolarHBondContact O-N 2.86Å; K782-V786 WeakPolarHBondContact O-CA 3.47Å; K782-V786 WeakPolarHBondContact O-CB 3.02Å; K782-V786 WeakPolarHBondContact O-CG2 3.46Å; K782-V786 PolarHBondContact O-N 3.27Å
783K78.7Confident69.3Low157 Ų157112.1 Ų112.168%0.68356%0.564SS**Hα-helixtrans-68.9-42179.5-157.5176.2-176.7-176.20111.5A779 E780 M781 L787A779-K783 PolarHBondContact O-N 3.44Å; E780-K783 WeakPolarHBondContact O-CB 3.14Å; E780-K783 PolarHBondContact O-N 3.19Å; M781-K783 VanDerWaalsContact C-N 3.26Å; M781-K783 PolarHBondContact O-N 2.91Å; K783-L787 WeakPolarHBondContact O-CG 3.48Å; K783-L787 PolarHBondContact O-N 2.89Å; K783-L787 VanDerWaalsContact O-N 3.15Å
784Q73.2Confident71.8Confident138 Ų138109.5 Ų109.565%0.64555%0.547SS*.Hα-helixtrans-67.4-41.7170.7-70.5-175.4-11.200112.3E780 M781 L787 M788E780-Q784 PolarHBondContact O-N 3.18Å; M781-Q784 PolarHBondContact O-N 3.33Å; Q784-L787 PolarHBondContact O-N 3.26Å; Q784-M788 WeakPolarHBondContact O-CB 3.33Å; Q784-M788 PolarHBondContact O-N 3.29Å
785L75.4Confident73.8Confident112 Ų112107.5 Ų107.559%0.58654%0.537SS*.Hα-helixtrans-73.2-26-178.6-166.4144000112.2M781 K782 H789M781-L785 WeakPolarHBondContact O-CA 3.15Å; M781-L785 WeakPolarHBondContact O-CB 3.31Å; M781-L785 PolarHBondContact O-N 3.01Å; K782-L785 PolarHBondContact O-N 2.86Å; L785-H789 WeakPolarHBondContact O-CA 3.13Å; L785-H789 WeakPolarHBondContact O-CB 2.9Å; L785-H789 PolarHBondContact O-N 2.81Å
786V84.8Confident75.2Confident91 Ų91108.1 Ų108.155%0.55253%0.53SS*.Hα-helixtrans-75.4-35.8168.7164.80000111.1K782 K790K782-V786 WeakPolarHBondContact O-CA 3.47Å; K782-V786 WeakPolarHBondContact O-CB 3.02Å; K782-V786 WeakPolarHBondContact O-CG2 3.46Å; K782-V786 PolarHBondContact O-N 3.27Å; V786-K790 WeakPolarHBondContact O-CB 3.38Å; V786-K790 PolarHBondContact O-N 2.76Å
787L84.9Confident76.9Confident109 Ų109103.1 Ų103.157%0.57152%0.516SS*.Hα-helixtrans-65.9-46.8170.6-75.9168.9000111.2K783 Q784 K790 Q791K783-L787 WeakPolarHBondContact O-CG 3.48Å; K783-L787 PolarHBondContact O-N 2.89Å; K783-L787 VanDerWaalsContact O-N 3.15Å; Q784-L787 PolarHBondContact O-N 3.26Å; L787-K790 PolarHBondContact O-N 2.9Å; L787-Q791 WeakPolarHBondContact O-CG 3.2Å; L787-Q791 PolarHBondContact O-N 3.33Å
788M81.6Confident78.6Confident103 Ų10399.1 Ų99.151%0.50750%0.5SS..Hα-helixtrans-63.2-39.2173.9-82-102.857.800112.5Q784 Q791 L792Q784-M788 WeakPolarHBondContact O-CB 3.33Å; Q784-M788 PolarHBondContact O-N 3.29Å; M788-Q791 PolarHBondContact O-N 2.93Å; M788-L792 WeakPolarHBondContact O-CB 3.49Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.43Å
789H83.2Confident80.2Confident112 Ų112100.6 Ų100.652%0.51951%0.511SS..Hα-helixtrans-71.1-34.7176.9-17027.1000111.5L785 L792 T793L785-H789 WeakPolarHBondContact O-CA 3.13Å; L785-H789 WeakPolarHBondContact O-CB 2.9Å; L785-H789 PolarHBondContact O-N 2.81Å; H789-L792 PolarHBondContact O-N 3.21Å; H789-T793 WeakPolarHBondContact O-CG2 3.22Å; H789-T793 PolarHBondContact O-N 2.89Å; H789-T793 PolarHBondContact O-OG1 3.41Å
790K88.2Confident81.6Confident109 Ų109101.9 Ų101.947%0.47451%0.506SS..Hα-helixtrans-65.6-43.6171.7-175.2174.3-178-68.50111.6V786 L787 L792 T793 E794V786-K790 WeakPolarHBondContact O-CB 3.38Å; V786-K790 PolarHBondContact O-N 2.76Å; L787-K790 PolarHBondContact O-N 2.9Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-T793 WeakPolarHBondContact CA-OG1 3.34Å; K790-T793 PolarHBondContact O-N 2.88Å; K790-T793 PolarHBondContact O-OG1 3Å; K790-E794 IonicContact NZ-OE1 2.72Å; K790-E794 PolarHBondContact NZ-OE1 2.86Å; K790-E794 IonicContact NZ-OE2 3.19Å; K790-E794 WeakPolarHBondContact O-CB 3.34Å; K790-E794 VanDerWaalsContact O-CG 3.24Å; K790-E794 WeakPolarHBondContact O-CG 3.39Å; K790-E794 PolarHBondContact O-N 3.45Å
791Q84.8Confident83.1Confident116 Ų116100 Ų10054%0.54250%0.497SS..Hα-helixtrans-63.6-37.6172.6-74.4178.4-39.400112L787 M788 E794 S795L787-Q791 WeakPolarHBondContact O-CG 3.2Å; L787-Q791 PolarHBondContact O-N 3.33Å; M788-Q791 PolarHBondContact O-N 2.93Å; Q791-E794 PolarHBondContact O-N 3.17Å; Q791-S795 WeakPolarHBondContact O-CB 3.43Å; Q791-S795 PolarHBondContact O-N 3.45Å; Q791-S795 PolarHBondContact O-OG 3.02Å
792L83.1Confident84.5Confident99 Ų99100.4 Ų100.452%0.51850%0.498SS..Hα-helixtrans-64.6-48.4173.3-83.2163.2000111.4M788 H789 K790 E794 S795 E796M788-L792 WeakPolarHBondContact O-CB 3.49Å; M788-L792 WeakPolarHBondContact O-CG 3.45Å; M788-L792 PolarHBondContact O-N 3.43Å; H789-L792 PolarHBondContact O-N 3.21Å; K790-L792 VanDerWaalsContact C-N 3.32Å; L792-E794 VanDerWaalsContact C-N 3.33Å; L792-E794 PolarHBondContact O-N 3.25Å; L792-S795 WeakPolarHBondContact CA-OG 3.34Å; L792-S795 CarbonylContact O-C 3.6Å; L792-S795 PolarHBondContact O-N 2.89Å; L792-S795 VanDerWaalsContact O-N 3.17Å; L792-S795 PolarHBondContact O-OG 3.19Å; L792-E796 VanDerWaalsContact O-CB 3.29Å; L792-E796 WeakPolarHBondContact O-CB 3.31Å; L792-E796 PolarHBondContact O-N 2.81Å
793T87.3Confident85.5Confident48 Ų4899.1 Ų99.129%0.29450%0.497SS..Hα-helixtrans-63.3-38.917650.70000111.8H789 K790 S795 E796 D797H789-T793 WeakPolarHBondContact O-CG2 3.22Å; H789-T793 PolarHBondContact O-N 2.89Å; H789-T793 PolarHBondContact O-OG1 3.41Å; K790-T793 WeakPolarHBondContact CA-OG1 3.34Å; K790-T793 PolarHBondContact O-N 2.88Å; K790-T793 PolarHBondContact O-OG1 3Å; T793-S795 VanDerWaalsContact C-N 3.34Å; T793-S795 PolarHBondContact O-N 3Å; T793-E796 PolarHBondContact O-N 3.44Å; T793-D797 WeakPolarHBondContact O-CB 3.32Å; T793-D797 PolarHBondContact O-N 3.31Å
794E88.2Confident86.1Confident88 Ų8897.5 Ų97.541%0.41149%0.492SS..Hα-helixtrans-62.3-40.9173.7-74.8170.215500111.4K790 Q791 L792 I798K790-E794 IonicContact NZ-OE1 2.72Å; K790-E794 PolarHBondContact NZ-OE1 2.86Å; K790-E794 IonicContact NZ-OE2 3.19Å; K790-E794 WeakPolarHBondContact O-CB 3.34Å; K790-E794 VanDerWaalsContact O-CG 3.24Å; K790-E794 WeakPolarHBondContact O-CG 3.39Å; K790-E794 PolarHBondContact O-N 3.45Å; Q791-E794 PolarHBondContact O-N 3.17Å; L792-E794 VanDerWaalsContact C-N 3.33Å; L792-E794 PolarHBondContact O-N 3.25Å; E794-I798 WeakPolarHBondContact O-CB 3.3Å; E794-I798 WeakPolarHBondContact O-CD1 3.3Å; E794-I798 WeakPolarHBondContact O-CG1 3.19Å; E794-I798 PolarHBondContact O-N 3.49Å
795S86.1Confident86.9Confident55 Ų5594.5 Ų94.539%0.38548%0.48SS..Hα-helixtrans-70.5-32.5173.168.80000113.5Q791 L792 T793 V799Q791-S795 WeakPolarHBondContact O-CB 3.43Å; Q791-S795 PolarHBondContact O-N 3.45Å; Q791-S795 PolarHBondContact O-OG 3.02Å; L792-S795 WeakPolarHBondContact CA-OG 3.34Å; L792-S795 CarbonylContact O-C 3.6Å; L792-S795 PolarHBondContact O-N 2.89Å; L792-S795 VanDerWaalsContact O-N 3.17Å; L792-S795 PolarHBondContact O-OG 3.19Å; T793-S795 VanDerWaalsContact C-N 3.34Å; T793-S795 PolarHBondContact O-N 3Å; S795-V799 WeakPolarHBondContact O-CB 3.46Å; S795-V799 VanDerWaalsContact O-CG2 3.23Å; S795-V799 WeakPolarHBondContact O-CG2 3.44Å; S795-V799 PolarHBondContact O-N 2.82Å
796E89.3Confident87.7Confident101 Ų10194 Ų9447%0.47247%0.47SS..Hα-helixtrans-72.5-37.4178.9-161.7-166.4117.900110.8L792 T793 V799 K800L792-E796 VanDerWaalsContact O-CB 3.29Å; L792-E796 WeakPolarHBondContact O-CB 3.31Å; L792-E796 PolarHBondContact O-N 2.81Å; T793-E796 PolarHBondContact O-N 3.44Å; E796-V799 PolarHBondContact O-N 3.11Å; E796-K800 VanDerWaalsContact O-CG 3.26Å; E796-K800 WeakPolarHBondContact O-CG 3.32Å; E796-K800 PolarHBondContact O-N 3.35Å; E796-K800 WeakPolarHBondContact OE1-CE 3.34Å; E796-K800 IonicContact OE1-NZ 2.8Å; E796-K800 PolarHBondContact OE1-NZ 2.88Å
797D90.3Very high88Confident87 Ų8795.1 Ų95.147%0.46547%0.47SS..Hα-helixtrans-76-34.1176.1-64.6-20.3000111.6T793 K800 Q801T793-D797 WeakPolarHBondContact O-CB 3.32Å; T793-D797 PolarHBondContact O-N 3.31Å; D797-K800 PolarHBondContact O-N 2.79Å; D797-K800 IonicContact OD1-NZ 2.68Å; D797-K800 PolarHBondContact OD1-NZ 3.03Å; D797-Q801 WeakPolarHBondContact O-CB 3.4Å; D797-Q801 PolarHBondContact O-N 3.46Å
798I89.6Confident88.2Confident95 Ų9596.6 Ų96.649%0.48747%0.474SS..Hα-helixtrans-61.2-47.9166.4-72.5164.5000110.3E794 K800 Q801 E802E794-I798 WeakPolarHBondContact O-CB 3.3Å; E794-I798 WeakPolarHBondContact O-CD1 3.3Å; E794-I798 WeakPolarHBondContact O-CG1 3.19Å; E794-I798 PolarHBondContact O-N 3.49Å; I798-K800 VanDerWaalsContact C-N 3.33Å; I798-K800 PolarHBondContact O-N 3.2Å; I798-Q801 PolarHBondContact O-N 3.45Å; I798-E802 HydrophobicContact CG2-CG 4.47Å; I798-E802 WeakPolarHBondContact O-CG 3.47Å; I798-E802 PolarHBondContact O-N 3.26Å
799V88.6Confident88.6Confident81 Ų8196.8 Ų96.849%0.49148%0.476SS..Hα-helixtrans-63.7-36.9178.81660000111.8S795 E796 E802 T803S795-V799 WeakPolarHBondContact O-CB 3.46Å; S795-V799 VanDerWaalsContact O-CG2 3.23Å; S795-V799 WeakPolarHBondContact O-CG2 3.44Å; S795-V799 PolarHBondContact O-N 2.82Å; E796-V799 PolarHBondContact O-N 3.11Å; V799-E802 PolarHBondContact O-N 3.04Å; V799-T803 PolarHBondContact O-N 2.83Å; V799-T803 PolarHBondContact O-OG1 3.44Å
800K91.1Very high89Confident83 Ų8396.3 Ų96.336%0.36147%0.474SS..Hα-helixtrans-60.2-49.4171.4-74.6164.2-156.4151.60111.2E796 D797 I798 E802 T803 E804E796-K800 VanDerWaalsContact O-CG 3.26Å; E796-K800 WeakPolarHBondContact O-CG 3.32Å; E796-K800 PolarHBondContact O-N 3.35Å; E796-K800 WeakPolarHBondContact OE1-CE 3.34Å; E796-K800 IonicContact OE1-NZ 2.8Å; E796-K800 PolarHBondContact OE1-NZ 2.88Å; D797-K800 PolarHBondContact O-N 2.79Å; D797-K800 IonicContact OD1-NZ 2.68Å; D797-K800 PolarHBondContact OD1-NZ 3.03Å; I798-K800 VanDerWaalsContact C-N 3.33Å; I798-K800 PolarHBondContact O-N 3.2Å; K800-E802 VanDerWaalsContact C-N 3.3Å; K800-E802 PolarHBondContact O-N 2.91Å; K800-T803 WeakPolarHBondContact CA-OG1 3.48Å; K800-T803 CarbonylContact O-C 3.57Å; K800-T803 PolarHBondContact O-N 3.4Å; K800-T803 PolarHBondContact O-OG1 3.01Å; K800-E804 WeakPolarHBondContact O-CG 3.33Å; K800-E804 PolarHBondContact O-N 2.93Å
801Q90.5Very high89.1Confident117 Ų11794 Ų9455%0.54748%0.476SS..Hα-helixtrans-62.8-36.5178.2-166.8173.219.300111.9D797 I798 E804 N805D797-Q801 WeakPolarHBondContact O-CB 3.4Å; D797-Q801 PolarHBondContact O-N 3.46Å; I798-Q801 PolarHBondContact O-N 3.45Å; Q801-E804 PolarHBondContact O-N 2.99Å; Q801-N805 VanDerWaalsContact O-CB 3.31Å; Q801-N805 WeakPolarHBondContact O-CB 3.46Å; Q801-N805 PolarHBondContact O-N 2.73Å; Q801-N805 PolarHBondContact O-ND2 3.46Å; Q801-N805 VanDerWaalsContact O-ND2 3.07Å
802E87.8Confident89.4Confident123 Ų12394.1 Ų94.158%0.57548%0.476SS*.Hα-helixtrans-65.8-36.5171.1-73.2-177.6166.900112.5I798 V799 K800 R806I798-E802 HydrophobicContact CG2-CG 4.47Å; I798-E802 WeakPolarHBondContact O-CG 3.47Å; I798-E802 PolarHBondContact O-N 3.26Å; V799-E802 PolarHBondContact O-N 3.04Å; K800-E802 VanDerWaalsContact C-N 3.3Å; K800-E802 PolarHBondContact O-N 2.91Å; E802-R806 VanDerWaalsContact O-CB 3.28Å; E802-R806 WeakPolarHBondContact O-CB 3.49Å; E802-R806 PolarHBondContact O-N 2.56Å
803T88.9Confident89.9Confident58 Ų5893.3 Ų93.336%0.35647%0.472SS..Hα-helixtrans-71.4-36.5173.850.50000113.5V799 K800 R806 E807V799-T803 PolarHBondContact O-N 2.83Å; V799-T803 PolarHBondContact O-OG1 3.44Å; K800-T803 WeakPolarHBondContact CA-OG1 3.48Å; K800-T803 CarbonylContact O-C 3.57Å; K800-T803 PolarHBondContact O-N 3.4Å; K800-T803 PolarHBondContact O-OG1 3.01Å; T803-R806 PolarHBondContact O-N 3.44Å; T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.33Å
804E90.5Very high90.1Very high122 Ų12298.7 Ų98.757%0.5749%0.492SS*.Hα-helixtrans-65.1-49.8173.8-71.4171.2174.300110.2K800 Q801 R806 E807 E808K800-E804 WeakPolarHBondContact O-CG 3.33Å; K800-E804 PolarHBondContact O-N 2.93Å; Q801-E804 PolarHBondContact O-N 2.99Å; E804-R806 PolarHBondContact O-N 3.41Å; E804-E807 PolarHBondContact O-N 3.5Å; E804-E808 PolarHBondContact O-N 2.84Å
805N91.3Very high90.3Very high75 Ų7598.2 Ų98.240%0.40150%0.499SS..Hα-helixtrans-56.9-37.2173.5-70.2-27.9000112.3Q801 L809Q801-N805 VanDerWaalsContact O-CB 3.31Å; Q801-N805 WeakPolarHBondContact O-CB 3.46Å; Q801-N805 PolarHBondContact O-N 2.73Å; Q801-N805 PolarHBondContact O-ND2 3.46Å; Q801-N805 VanDerWaalsContact O-ND2 3.07Å; N805-L809 WeakPolarHBondContact O-CB 3.2Å; N805-L809 VanDerWaalsContact O-CG 3.27Å; N805-L809 WeakPolarHBondContact O-CG 3.41Å; N805-L809 PolarHBondContact O-N 3.12Å
806R91.3Very high90.7Very high101 Ų10199.3 Ų99.338%0.38150%0.499SS..Hα-helixtrans-66.9-40.7175.5-179.5-166.560.87812.8111.7E802 T803 E804 L809 E810E802-R806 VanDerWaalsContact O-CB 3.28Å; E802-R806 WeakPolarHBondContact O-CB 3.49Å; E802-R806 PolarHBondContact O-N 2.56Å; T803-R806 PolarHBondContact O-N 3.44Å; E804-R806 PolarHBondContact O-N 3.41Å; R806-L809 PolarHBondContact O-N 3.09Å; R806-E810 WeakPolarHBondContact CD-OE1 3.5Å; R806-E810 HydrophobicContact CG-CG 4.49Å; R806-E810 WeakPolarHBondContact CG-OE1 3.48Å; R806-E810 IonicContact CZ-OE1 3.5Å; R806-E810 IonicContact CZ-OE2 2.66Å; R806-E810 IonicContact NE-OE1 3.39Å; R806-E810 IonicContact NH1-OE1 2.7Å; R806-E810 PolarHBondContact NH1-OE1 3.27Å; R806-E810 IonicContact NH1-OE2 3.47Å; R806-E810 PolarHBondContact NH1-OE2 2.93Å; R806-E810 WeakPolarHBondContact O-CB 3.33Å; R806-E810 WeakPolarHBondContact O-CG 3.46Å; R806-E810 PolarHBondContact O-N 3.37Å
807E90.3Very high90.8Very high115 Ų115101.8 Ų101.854%0.53751%0.506SS..Hα-helixtrans-70.9-35.8178.4-73.3177.1-164.700112.1T803 E804 E810 A811T803-E807 WeakPolarHBondContact O-CG 3.4Å; T803-E807 PolarHBondContact O-N 3.33Å; E804-E807 PolarHBondContact O-N 3.5Å; E807-E810 PolarHBondContact O-N 3Å; E807-A811 WeakPolarHBondContact O-CB 3.38Å; E807-A811 PolarHBondContact O-N 3.43Å
808E90.1Very high90.9Very high140 Ų140101.9 Ų101.965%0.65451%0.506SS*.Hα-helixtrans-61-46.6168.4-69.6-169.7167.100111.7E804 A811 E812E804-E808 PolarHBondContact O-N 2.84Å; E808-A811 PolarHBondContact O-N 3.4Å; E808-E812 PolarHBondContact O-N 3.44Å
809L90.6Very high91.1Very high108 Ų108103.4 Ų103.457%0.56551%0.509SS*.Hα-helixtrans-64.9-37.6176.7-75.5169.2000112.7N805 R806 E812 N813N805-L809 WeakPolarHBondContact O-CB 3.2Å; N805-L809 VanDerWaalsContact O-CG 3.27Å; N805-L809 WeakPolarHBondContact O-CG 3.41Å; N805-L809 PolarHBondContact O-N 3.12Å; R806-L809 PolarHBondContact O-N 3.09Å; L809-E812 PolarHBondContact O-N 3.05Å; L809-N813 VanDerWaalsContact O-CB 3.29Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.31Å
810E90.5Very high91.3Very high101 Ų101104.5 Ų104.547%0.47251%0.511SS..Hα-helixtrans-68.7-36175.6-78171.2-164.900111.8R806 E807 N813 F814R806-E810 WeakPolarHBondContact CD-OE1 3.5Å; R806-E810 HydrophobicContact CG-CG 4.49Å; R806-E810 WeakPolarHBondContact CG-OE1 3.48Å; R806-E810 IonicContact CZ-OE1 3.5Å; R806-E810 IonicContact CZ-OE2 2.66Å; R806-E810 IonicContact NE-OE1 3.39Å; R806-E810 IonicContact NH1-OE1 2.7Å; R806-E810 PolarHBondContact NH1-OE1 3.27Å; R806-E810 IonicContact NH1-OE2 3.47Å; R806-E810 PolarHBondContact NH1-OE2 2.93Å; R806-E810 WeakPolarHBondContact O-CB 3.33Å; R806-E810 WeakPolarHBondContact O-CG 3.46Å; R806-E810 PolarHBondContact O-N 3.37Å; E807-E810 PolarHBondContact O-N 3Å; E810-N813 PolarHBondContact O-N 2.81Å; E810-F814 WeakPolarHBondContact O-CB 3.48Å; E810-F814 PolarHBondContact O-N 2.99Å
811A90.1Very high91.4Very high61 Ų61102.4 Ų102.450%0.50451%0.507SS..Hα-helixtrans-67.7-41172.400000112.5E807 E808 F814 S815E807-A811 WeakPolarHBondContact O-CB 3.38Å; E807-A811 PolarHBondContact O-N 3.43Å; E808-A811 PolarHBondContact O-N 3.4Å; A811-F814 PolarHBondContact O-N 2.88Å; A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.74Å
812E92.5Very high91.4Very high118 Ų118100.5 Ų100.555%0.55150%0.5SS*.Hα-helixtrans-62.6-43.9171.5-175.6174.4-158.500110.9E808 L809 F814 S815 L816E808-E812 PolarHBondContact O-N 3.44Å; L809-E812 PolarHBondContact O-N 3.05Å; E812-F814 VanDerWaalsContact C-N 3.35Å; E812-F814 PolarHBondContact O-N 3.21Å; E812-S815 CarbonylContact O-C 3.49Å; E812-S815 WeakPolarHBondContact O-CB 3.3Å; E812-S815 PolarHBondContact O-N 2.71Å; E812-S815 VanDerWaalsContact O-N 3.15Å; E812-L816 HydrophobicContact CG-CD1 4.19Å; E812-L816 HydrophobicContact CG-CG 4.4Å; E812-L816 WeakPolarHBondContact O-CG 3.45Å; E812-L816 PolarHBondContact O-N 2.83Å
813N92.1Very high91.7Very high82 Ų8298.7 Ų98.744%0.43949%0.494SS..Hα-helixtrans-60.3-43.6178-146.5-30.5000111.3L809 E810 S815 L816 Y817L809-N813 VanDerWaalsContact O-CB 3.29Å; L809-N813 WeakPolarHBondContact O-CB 3.4Å; L809-N813 PolarHBondContact O-N 3.31Å; E810-N813 PolarHBondContact O-N 2.81Å; N813-S815 PolarHBondContact O-N 3.31Å; N813-L816 PolarHBondContact O-N 3.02Å; N813-Y817 WeakPolarHBondContact O-CD2 3.45Å; N813-Y817 PolarHBondContact O-N 3.2Å; N813-Y817 WeakPolarHBondContact OD1-CE2 3.1Å
814F92.1Very high91.8Very high162 Ų16299.4 Ų99.471%0.71150%0.495SS*.Hα-helixtrans-62.3-41.4174.3-168.1-92.8000112.5E810 A811 E812 L816 Y817 D818E810-F814 WeakPolarHBondContact O-CB 3.48Å; E810-F814 PolarHBondContact O-N 2.99Å; A811-F814 PolarHBondContact O-N 2.88Å; E812-F814 VanDerWaalsContact C-N 3.35Å; E812-F814 PolarHBondContact O-N 3.21Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.91Å; F814-Y817 PolarHBondContact O-N 3.4Å; F814-D818 PolarHBondContact O-N 2.9Å
815S92.6Very high91.9Very high78 Ų78101.2 Ų101.255%0.54550%0.497SS..Hα-helixtrans-62.6-38.4173.8-171.70000112.3A811 E812 N813 K819A811-S815 WeakPolarHBondContact O-CB 3.47Å; A811-S815 PolarHBondContact O-N 2.74Å; E812-S815 CarbonylContact O-C 3.49Å; E812-S815 WeakPolarHBondContact O-CB 3.3Å; E812-S815 PolarHBondContact O-N 2.71Å; E812-S815 VanDerWaalsContact O-N 3.15Å; N813-S815 PolarHBondContact O-N 3.31Å; S815-K819 VanDerWaalsContact O-CB 3.28Å; S815-K819 WeakPolarHBondContact O-CB 3.1Å; S815-K819 PolarHBondContact O-N 2.92Å
816L93.4Very high92Very high77 Ų77102.8 Ų102.840%0.40350%0.502SS..Hα-helixtrans-66.8-40.3173.7-70.2172.1000112E812 N813 F814 K819 I820E812-L816 HydrophobicContact CG-CD1 4.19Å; E812-L816 HydrophobicContact CG-CG 4.4Å; E812-L816 WeakPolarHBondContact O-CG 3.45Å; E812-L816 PolarHBondContact O-N 2.83Å; N813-L816 PolarHBondContact O-N 3.02Å; F814-L816 VanDerWaalsContact C-N 3.33Å; F814-L816 PolarHBondContact O-N 2.91Å; L816-K819 PolarHBondContact O-N 3.34Å; L816-I820 WeakPolarHBondContact O-CB 3.43Å; L816-I820 WeakPolarHBondContact O-CD1 3.38Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 3.47Å
817Y92.6Very high92Very high154 Ų154103.4 Ų103.460%0.60451%0.512SS*.Hα-helixtrans-62.5-43.2174.6-78.8-64000112.8N813 F814 I820 S821N813-Y817 WeakPolarHBondContact O-CD2 3.45Å; N813-Y817 PolarHBondContact O-N 3.2Å; N813-Y817 WeakPolarHBondContact OD1-CE2 3.1Å; F814-Y817 PolarHBondContact O-N 3.4Å; Y817-I820 PolarHBondContact O-N 2.85Å; Y817-S821 WeakPolarHBondContact O-CB 3.37Å; Y817-S821 PolarHBondContact O-N 3Å
818D92.1Very high92Very high88 Ų88103.5 Ų103.547%0.47151%0.507SS..Hα-helixtrans-66.4-41175.7-170.353.5000111.5F814 I820 S821 I822F814-D818 PolarHBondContact O-N 2.9Å; D818-I820 VanDerWaalsContact C-N 3.33Å; D818-I820 PolarHBondContact O-N 3.26Å; D818-S821 WeakPolarHBondContact O-CB 3.44Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 VanDerWaalsContact O-N 3.16Å; D818-I822 WeakPolarHBondContact O-CG1 3.27Å; D818-I822 PolarHBondContact O-N 3.48Å
819K94.4Very high92Very high128 Ų128102.1 Ų102.156%0.55750%0.501SS*.Hα-helixtrans-61.3-38.9174.2-170.5175.5-177.11790112.8S815 L816 I822 L823S815-K819 VanDerWaalsContact O-CB 3.28Å; S815-K819 WeakPolarHBondContact O-CB 3.1Å; S815-K819 PolarHBondContact O-N 2.92Å; L816-K819 PolarHBondContact O-N 3.34Å; K819-I822 PolarHBondContact O-N 3.3Å; K819-L823 HydrophobicContact CG-CD1 4.42Å; K819-L823 VanDerWaalsContact O-CG 3.31Å; K819-L823 WeakPolarHBondContact O-CG 3.49Å; K819-L823 PolarHBondContact O-N 2.91Å
820I91.8Very high91.9Very high103 Ų103102 Ų10253%0.52850%0.5SS..Hα-helixtrans-65.7-45.3173-71.5163000110.3L816 Y817 D818 I822 L823 D824L816-I820 WeakPolarHBondContact O-CB 3.43Å; L816-I820 WeakPolarHBondContact O-CD1 3.38Å; L816-I820 WeakPolarHBondContact O-CG1 3.4Å; L816-I820 PolarHBondContact O-N 3.47Å; Y817-I820 PolarHBondContact O-N 2.85Å; D818-I820 VanDerWaalsContact C-N 3.33Å; D818-I820 PolarHBondContact O-N 3.26Å; I820-I822 VanDerWaalsContact C-N 3.29Å; I820-I822 PolarHBondContact O-N 3.18Å; I820-L823 PolarHBondContact O-N 3.4Å; I820-D824 WeakPolarHBondContact O-CB 3.35Å; I820-D824 PolarHBondContact O-N 3.49Å
821S93.1Very high91.9Very high39 Ų39103.1 Ų103.127%0.27351%0.505SS..Hα-helixtrans-57.8-38.51751700000112.6Y817 D818 R825Y817-S821 WeakPolarHBondContact O-CB 3.37Å; Y817-S821 PolarHBondContact O-N 3Å; D818-S821 WeakPolarHBondContact O-CB 3.44Å; D818-S821 PolarHBondContact O-N 2.87Å; D818-S821 VanDerWaalsContact O-N 3.16Å; S821-R825 VanDerWaalsContact O-CG 3.28Å; S821-R825 WeakPolarHBondContact O-CG 3.24Å; S821-R825 PolarHBondContact O-N 2.93Å; S821-R825 VanDerWaalsContact O-N 3.16Å
822I92Very high91.9Very high77 Ų77105.2 Ų105.240%0.39551%0.507SS..Hα-helixtrans-68.5-47.7174.7-68.4164.2000111.2D818 K819 I820 D824 R825 Q826D818-I822 WeakPolarHBondContact O-CG1 3.27Å; D818-I822 PolarHBondContact O-N 3.48Å; K819-I822 PolarHBondContact O-N 3.3Å; I820-I822 VanDerWaalsContact C-N 3.29Å; I820-I822 PolarHBondContact O-N 3.18Å; I822-D824 VanDerWaalsContact C-N 3.33Å; I822-D824 PolarHBondContact O-N 3.45Å; I822-R825 PolarHBondContact O-N 3.29Å; I822-Q826 WeakPolarHBondContact O-CG 3.27Å; I822-Q826 PolarHBondContact O-N 3.49Å
823L93.4Very high91.6Very high86 Ų86104.6 Ų104.645%0.4550%0.504SS..Hα-helixtrans-62-40178-73.4167.1000112.1K819 I820 R825 Q826 L827K819-L823 HydrophobicContact CG-CD1 4.42Å; K819-L823 VanDerWaalsContact O-CG 3.31Å; K819-L823 WeakPolarHBondContact O-CG 3.49Å; K819-L823 PolarHBondContact O-N 2.91Å; I820-L823 PolarHBondContact O-N 3.4Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.99Å; L823-Q826 WeakPolarHBondContact O-CB 3.45Å; L823-Q826 PolarHBondContact O-N 3.47Å; L823-Q826 VanDerWaalsContact O-N 3.14Å; L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 2.92Å
824D91.7Very high91.5Very high72 Ų72108 Ų10839%0.38551%0.512SS..Hα-helixtrans-67-32.1177.7179.948.3000112.3I820 I822 R828I820-D824 WeakPolarHBondContact O-CB 3.35Å; I820-D824 PolarHBondContact O-N 3.49Å; I822-D824 VanDerWaalsContact C-N 3.33Å; I822-D824 PolarHBondContact O-N 3.45Å; D824-R828 VanDerWaalsContact CG-NH2 3.31Å; D824-R828 VanDerWaalsContact O-CZ 3.28Å; D824-R828 PolarHBondContact O-N 3.47Å; D824-R828 PolarHBondContact O-NH2 2.9Å; D824-R828 IonicContact OD1-CZ 3.42Å; D824-R828 IonicContact OD1-NH1 2.64Å; D824-R828 PolarHBondContact OD1-NH1 3.25Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 IonicContact OD2-CZ 3.75Å; D824-R828 IonicContact OD2-NH1 3.85Å; D824-R828 PolarHBondContact OD2-NH1 2.84Å; D824-R828 IonicContact OD2-NH2 3.7Å; D824-R828 PolarHBondContact OD2-NH2 3.07Å
825R91.6Very high91.3Very high161 Ų161103.6 Ų103.661%0.60850%0.496SS*.Hα-helixtrans-69.9-38.6167.4-69171.2-161.5-165.75112.7S821 I822 L823 R828 H829S821-R825 VanDerWaalsContact O-CG 3.28Å; S821-R825 WeakPolarHBondContact O-CG 3.24Å; S821-R825 PolarHBondContact O-N 2.93Å; S821-R825 VanDerWaalsContact O-N 3.16Å; I822-R825 PolarHBondContact O-N 3.29Å; L823-R825 VanDerWaalsContact C-N 3.34Å; L823-R825 PolarHBondContact O-N 2.99Å; R825-R828 PolarHBondContact O-N 2.76Å; R825-H829 PolarHBondContact O-N 3.44Å
826Q93.5Very high91Very high107 Ų107103.6 Ų103.650%0.549%0.488SS..Hα-helixtrans-66.9-40.4177.2-72.9176.2-21.200111.8I822 L823 H829 I830I822-Q826 WeakPolarHBondContact O-CG 3.27Å; I822-Q826 PolarHBondContact O-N 3.49Å; L823-Q826 WeakPolarHBondContact O-CB 3.45Å; L823-Q826 PolarHBondContact O-N 3.47Å; L823-Q826 VanDerWaalsContact O-N 3.14Å; Q826-H829 PolarHBondContact O-N 3.04Å; Q826-I830 VanDerWaalsContact O-CG1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.21Å; Q826-I830 PolarHBondContact O-N 3.44Å
827L90.9Very high90.7Very high114 Ų114105.4 Ų105.460%0.59750%0.497SS*.Hα-helixtrans-61.7-43174.3-73.5171.1000111.9L823 I830 Q831L823-L827 WeakPolarHBondContact O-CG 3.38Å; L823-L827 PolarHBondContact O-N 2.92Å; L827-I830 PolarHBondContact O-N 3.46Å; L827-Q831 WeakPolarHBondContact O-CB 3.42Å; L827-Q831 PolarHBondContact O-N 2.89Å
828R91.4Very high90.5Very high118 Ų118101.6 Ų101.645%0.44549%0.49SS..Hα-helixtrans-59-48.4172.2-83.2-175.2-72.5-81.4-0.8112.5D824 R825 I830 Q831 D832D824-R828 VanDerWaalsContact CG-NH2 3.31Å; D824-R828 VanDerWaalsContact O-CZ 3.28Å; D824-R828 PolarHBondContact O-N 3.47Å; D824-R828 PolarHBondContact O-NH2 2.9Å; D824-R828 IonicContact OD1-CZ 3.42Å; D824-R828 IonicContact OD1-NH1 2.64Å; D824-R828 PolarHBondContact OD1-NH1 3.25Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 IonicContact OD2-CZ 3.75Å; D824-R828 IonicContact OD2-NH1 3.85Å; D824-R828 PolarHBondContact OD2-NH1 2.84Å; D824-R828 IonicContact OD2-NH2 3.7Å; D824-R828 PolarHBondContact OD2-NH2 3.07Å; R825-R828 PolarHBondContact O-N 2.76Å; R828-I830 VanDerWaalsContact C-N 3.33Å; R828-I830 PolarHBondContact O-N 3.42Å; R828-Q831 CarbonylContact O-C 3.54Å; R828-Q831 PolarHBondContact O-N 2.88Å; R828-D832 PolarHBondContact O-N 3.35Å
829H89.7Confident90.3Very high111 Ų111102.2 Ų102.251%0.51449%0.488SS..Hα-helixtrans-58-44.3178.4-168.9-72.5000112.4R825 Q826 Q831 D832 E833R825-H829 PolarHBondContact O-N 3.44Å; Q826-H829 PolarHBondContact O-N 3.04Å; H829-Q831 VanDerWaalsContact C-N 3.29Å; H829-Q831 PolarHBondContact O-N 3.45Å; H829-D832 PolarHBondContact O-N 2.93Å; H829-E833 IonicContact CE1-OE1 3Å; H829-E833 IonicContact CE1-OE2 3.27Å; H829-E833 PolarHBondContact CE1-OE2 2.91Å; H829-E833 VanDerWaalsContact CE1-OE2 3.31Å; H829-E833 IonicContact ND1-OE1 3.99Å; H829-E833 IonicContact ND1-OE2 3.6Å; H829-E833 PolarHBondContact ND1-OE2 3.39Å; H829-E833 WeakPolarHBondContact O-CB 3.39Å; H829-E833 WeakPolarHBondContact O-CG 3.45Å; H829-E833 PolarHBondContact O-N 3.45Å
830I89.3Confident90Very high106 Ų106101.4 Ų101.454%0.54449%0.485SS..Hα-helixtrans-64.2-35.4177.4-68.1164.7000111.2Q826 L827 R828 Y834Q826-I830 VanDerWaalsContact O-CG1 3.31Å; Q826-I830 WeakPolarHBondContact O-CG1 3.21Å; Q826-I830 PolarHBondContact O-N 3.44Å; L827-I830 PolarHBondContact O-N 3.46Å; R828-I830 VanDerWaalsContact C-N 3.33Å; R828-I830 PolarHBondContact O-N 3.42Å; I830-Y834 WeakPolarHBondContact O-CB 3.21Å; I830-Y834 PolarHBondContact O-N 3.37Å
831Q88.9Confident89.7Confident123 Ų123100.5 Ų100.558%0.57548%0.478SS*.Hα-helixtrans-73.6-40.5176.7-171.4168.7-19.300112.3L827 R828 H829 E833 Y834 D835L827-Q831 WeakPolarHBondContact O-CB 3.42Å; L827-Q831 PolarHBondContact O-N 2.89Å; R828-Q831 CarbonylContact O-C 3.54Å; R828-Q831 PolarHBondContact O-N 2.88Å; H829-Q831 VanDerWaalsContact C-N 3.29Å; H829-Q831 PolarHBondContact O-N 3.45Å; Q831-E833 VanDerWaalsContact C-N 3.34Å; Q831-E833 PolarHBondContact O-N 2.96Å; Q831-Y834 WeakPolarHBondContact O-CB 3.4Å; Q831-Y834 PolarHBondContact O-N 2.8Å; Q831-D835 PolarHBondContact O-N 3.21Å
832D90.4Very high89.3Confident105 Ų105102.8 Ų102.856%0.56149%0.486SS*.Hα-helixtrans-61.7-41.6173-67.6-38.5000111.1R828 H829 D835 E836R828-D832 PolarHBondContact O-N 3.35Å; H829-D832 PolarHBondContact O-N 2.93Å; D832-D835 PolarHBondContact O-N 2.94Å; D832-E836 WeakPolarHBondContact O-CB 3.39Å; D832-E836 WeakPolarHBondContact O-CG 3.43Å; D832-E836 PolarHBondContact O-N 3.04Å
833E87.5Confident89.1Confident105 Ų105103.7 Ų103.749%0.49149%0.49SS..Hα-helixtrans-63.7-37.7173.4-76.3178.612100112.5H829 Q831 L837H829-E833 IonicContact CE1-OE1 3Å; H829-E833 IonicContact CE1-OE2 3.27Å; H829-E833 PolarHBondContact CE1-OE2 2.91Å; H829-E833 VanDerWaalsContact CE1-OE2 3.31Å; H829-E833 IonicContact ND1-OE1 3.99Å; H829-E833 IonicContact ND1-OE2 3.6Å; H829-E833 PolarHBondContact ND1-OE2 3.39Å; H829-E833 WeakPolarHBondContact O-CB 3.39Å; H829-E833 WeakPolarHBondContact O-CG 3.45Å; H829-E833 PolarHBondContact O-N 3.45Å; Q831-E833 VanDerWaalsContact C-N 3.34Å; Q831-E833 PolarHBondContact O-N 2.96Å; E833-L837 WeakPolarHBondContact O-CB 3.41Å; E833-L837 PolarHBondContact O-N 3.49Å
834Y89Confident88.8Confident153 Ų153103.4 Ų103.460%0.649%0.489SS*.Hα-helixtrans-68.4-45.1175.9-172.9-94.8000111.9I830 Q831 E836 L837 V838I830-Y834 WeakPolarHBondContact O-CB 3.21Å; I830-Y834 PolarHBondContact O-N 3.37Å; Q831-Y834 WeakPolarHBondContact O-CB 3.4Å; Q831-Y834 PolarHBondContact O-N 2.8Å; Y834-E836 VanDerWaalsContact C-N 3.33Å; Y834-E836 PolarHBondContact O-N 3.42Å; Y834-L837 WeakPolarHBondContact O-CB 3.49Å; Y834-L837 PolarHBondContact O-N 3.44Å; Y834-L837 VanDerWaalsContact O-N 3.12Å; Y834-V838 HydrophobicContact CD1-CG2 4.08Å; Y834-V838 HydrophobicContact CE1-CG2 3.74Å; Y834-V838 WeakPolarHBondContact O-CG2 2.93Å; Y834-V838 PolarHBondContact O-N 2.75Å
835D89.1Confident88.5Confident71 Ų71105.2 Ų105.238%0.3850%0.496SS..Hα-helixtrans-65.4-36.1177.4-79.1-3.8000111.7Q831 D832 V838 K839Q831-D835 PolarHBondContact O-N 3.21Å; D832-D835 PolarHBondContact O-N 2.94Å; D835-V838 PolarHBondContact O-N 3.01Å; D835-K839 WeakPolarHBondContact O-CE 3.31Å; D835-K839 VanDerWaalsContact O-CG 3.27Å; D835-K839 WeakPolarHBondContact O-CG 3.43Å; D835-K839 PolarHBondContact O-N 3.42Å
836E85.9Confident88.3Confident78 Ų78104.7 Ų104.736%0.36449%0.493SS..Hα-helixtrans-67.7-34.3170.9-80.3-61.112400113.3D832 Y834 K839 K840D832-E836 WeakPolarHBondContact O-CB 3.39Å; D832-E836 WeakPolarHBondContact O-CG 3.43Å; D832-E836 PolarHBondContact O-N 3.04Å; Y834-E836 VanDerWaalsContact C-N 3.33Å; Y834-E836 PolarHBondContact O-N 3.42Å; E836-K839 WeakPolarHBondContact OE1-CD 3.34Å; E836-K839 WeakPolarHBondContact OE1-CE 3.43Å; E836-K839 IonicContact OE1-NZ 2.62Å; E836-K839 PolarHBondContact OE1-NZ 2.88Å; E836-K840 WeakPolarHBondContact O-CB 3.39Å; E836-K840 WeakPolarHBondContact O-CD 3.35Å; E836-K840 VanDerWaalsContact O-CG 3.26Å; E836-K840 WeakPolarHBondContact O-CG 3.4Å; E836-K840 PolarHBondContact O-N 3.22Å; E836-K840 IonicContact OE2-NZ 2.81Å
837L86.9Confident88Confident115 Ų115102.9 Ų102.960%0.60249%0.49SS*.Hα-helixtrans-64.8-44.5170.7-89.8163.1000111.4E833 Y834 K840 E841E833-L837 WeakPolarHBondContact O-CB 3.41Å; E833-L837 PolarHBondContact O-N 3.49Å; Y834-L837 WeakPolarHBondContact O-CB 3.49Å; Y834-L837 PolarHBondContact O-N 3.44Å; Y834-L837 VanDerWaalsContact O-N 3.12Å; L837-K840 PolarHBondContact O-N 2.89Å; L837-E841 WeakPolarHBondContact O-CB 3.46Å; L837-E841 PolarHBondContact O-N 3.49Å
838V88.3Confident87.7Confident74 Ų74100.8 Ų100.845%0.44848%0.479SS..Hα-helixtrans-63.6-41.3177.11720000111.5Y834 D835 E841 M842Y834-V838 HydrophobicContact CD1-CG2 4.08Å; Y834-V838 HydrophobicContact CE1-CG2 3.74Å; Y834-V838 WeakPolarHBondContact O-CG2 2.93Å; Y834-V838 PolarHBondContact O-N 2.75Å; D835-V838 PolarHBondContact O-N 3.01Å; V838-E841 PolarHBondContact O-N 2.9Å; V838-M842 WeakPolarHBondContact O-CB 3.28Å; V838-M842 PolarHBondContact O-N 2.93Å
839K87.8Confident87.6Confident100 Ų100101.6 Ų101.644%0.43549%0.486SS..Hα-helixtrans-61.7-45.6173.9-72.2169.6-136.6165.40112D835 E836 M842 I843D835-K839 WeakPolarHBondContact O-CE 3.31Å; D835-K839 VanDerWaalsContact O-CG 3.27Å; D835-K839 WeakPolarHBondContact O-CG 3.43Å; D835-K839 PolarHBondContact O-N 3.42Å; E836-K839 WeakPolarHBondContact OE1-CD 3.34Å; E836-K839 WeakPolarHBondContact OE1-CE 3.43Å; E836-K839 IonicContact OE1-NZ 2.62Å; E836-K839 PolarHBondContact OE1-NZ 2.88Å; K839-M842 PolarHBondContact O-N 3.22Å; K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.34Å; K839-I843 PolarHBondContact O-N 3Å
840K87.5Confident87.4Confident111 Ų111100.2 Ų100.248%0.48348%0.482SS..Hα-helixtrans-63.4-41.5177.3-74.5162.5-170.5152.70111.6E836 L837 I843 N844E836-K840 WeakPolarHBondContact O-CB 3.39Å; E836-K840 WeakPolarHBondContact O-CD 3.35Å; E836-K840 VanDerWaalsContact O-CG 3.26Å; E836-K840 WeakPolarHBondContact O-CG 3.4Å; E836-K840 PolarHBondContact O-N 3.22Å; E836-K840 IonicContact OE2-NZ 2.81Å; L837-K840 PolarHBondContact O-N 2.89Å; K840-I843 PolarHBondContact O-N 3.34Å; K840-N844 WeakPolarHBondContact O-CB 3.5Å; K840-N844 PolarHBondContact O-N 3.41Å; K840-N844 PolarHBondContact O-ND2 2.62Å; K840-N844 PolarHBondContact O-OD1 3.09Å
841E86.5Confident87.3Confident84 Ų8499.5 Ų99.539%0.39348%0.482SS..Hα-helixtrans-65.9-40.8176-179.354.5-159.400112L837 V838 I843 N844 Q845L837-E841 WeakPolarHBondContact O-CB 3.46Å; L837-E841 PolarHBondContact O-N 3.49Å; V838-E841 PolarHBondContact O-N 2.9Å; E841-I843 VanDerWaalsContact C-N 3.31Å; E841-I843 PolarHBondContact O-N 2.81Å; E841-N844 PolarHBondContact O-N 3.1Å; E841-Q845 WeakPolarHBondContact O-CB 3.39Å; E841-Q845 VanDerWaalsContact O-CG 3.29Å; E841-Q845 WeakPolarHBondContact O-CG 3.47Å; E841-Q845 PolarHBondContact O-N 3.49Å; E841-Q845 WeakPolarHBondContact OE1-CG 3.33Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å
842M84.4Confident87.3Confident88 Ų8898 Ų9843%0.43348%0.476SS..Hα-helixtrans-63.3-36173.2-172-17462.800112.3V838 K839 R846V838-M842 WeakPolarHBondContact O-CB 3.28Å; V838-M842 PolarHBondContact O-N 2.93Å; K839-M842 PolarHBondContact O-N 3.22Å; M842-R846 WeakPolarHBondContact O-CG 3.5Å; M842-R846 PolarHBondContact O-N 3.07Å; M842-R846 VanDerWaalsContact O-N 3.15Å
843I87.3Confident87.1Confident96 Ų9698.3 Ų98.349%0.49247%0.473SS..Hα-helixtrans-67.3-45173.6-68.7164000110.4K839 K840 E841 Q845 R846 T847K839-I843 VanDerWaalsContact O-CG1 3.31Å; K839-I843 WeakPolarHBondContact O-CG1 3.34Å; K839-I843 PolarHBondContact O-N 3Å; K840-I843 PolarHBondContact O-N 3.34Å; E841-I843 VanDerWaalsContact C-N 3.31Å; E841-I843 PolarHBondContact O-N 2.81Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.04Å; I843-R846 PolarHBondContact O-N 3.17Å; I843-T847 PolarHBondContact O-N 2.84Å; I843-T847 PolarHBondContact O-OG1 3.48Å
844N86.6Confident87.2Confident79 Ų7998.8 Ų98.842%0.42248%0.479SS..Hα-helixtrans-61-37175.8-67.8-19.9000112.3K840 E841 T847 L848K840-N844 WeakPolarHBondContact O-CB 3.5Å; K840-N844 PolarHBondContact O-N 3.41Å; K840-N844 PolarHBondContact O-ND2 2.62Å; K840-N844 PolarHBondContact O-OD1 3.09Å; E841-N844 PolarHBondContact O-N 3.1Å; N844-T847 WeakPolarHBondContact CA-OG1 3.35Å; N844-T847 PolarHBondContact O-OG1 2.87Å; N844-L848 VanDerWaalsContact O-CB 3.22Å; N844-L848 WeakPolarHBondContact O-CB 3.46Å; N844-L848 WeakPolarHBondContact O-CD1 3.29Å; N844-L848 VanDerWaalsContact O-CG 3.3Å; N844-L848 WeakPolarHBondContact O-CG 3.38Å; N844-L848 PolarHBondContact O-N 2.73Å
845Q85.9Confident87.1Confident111 Ų11196.4 Ų96.452%0.51948%0.476SS..Hα-helixtrans-69.4-33.5176.6-74175.71500112.4E841 I843 K849E841-Q845 WeakPolarHBondContact O-CB 3.39Å; E841-Q845 VanDerWaalsContact O-CG 3.29Å; E841-Q845 WeakPolarHBondContact O-CG 3.47Å; E841-Q845 PolarHBondContact O-N 3.49Å; E841-Q845 WeakPolarHBondContact OE1-CG 3.33Å; E841-Q845 PolarHBondContact OE1-NE2 3.38Å; I843-Q845 VanDerWaalsContact C-N 3.3Å; I843-Q845 PolarHBondContact O-N 3.04Å; Q845-K849 WeakPolarHBondContact O-CB 3.46Å; Q845-K849 PolarHBondContact O-N 3.49Å; Q845-K849 VanDerWaalsContact O-N 3.11Å
846R86.9Confident87.1Confident149 Ų14996.2 Ų96.256%0.56248%0.475SS*.Hα-helixtrans-66.7-53.6170.6-69.4173.6-170.8-167.41.8110.7M842 I843 L848 K849 D850M842-R846 WeakPolarHBondContact O-CG 3.5Å; M842-R846 PolarHBondContact O-N 3.07Å; M842-R846 VanDerWaalsContact O-N 3.15Å; I843-R846 PolarHBondContact O-N 3.17Å; R846-L848 VanDerWaalsContact C-N 3.27Å; R846-L848 PolarHBondContact O-N 3.18Å; R846-K849 CarbonylContact O-C 3.55Å; R846-K849 WeakPolarHBondContact O-CA 3.32Å; R846-K849 VanDerWaalsContact O-CB 3.31Å; R846-K849 WeakPolarHBondContact O-CB 3.21Å; R846-K849 PolarHBondContact O-N 2.84Å; R846-D850 PolarHBondContact O-N 3.33Å
847T87Confident87.2Confident70 Ų7096 Ų9643%0.42948%0.476SS..Hα-helixtrans-63.6-31.7-179.558.10000113I843 N844 D850 V851I843-T847 PolarHBondContact O-N 2.84Å; I843-T847 PolarHBondContact O-OG1 3.48Å; N844-T847 WeakPolarHBondContact CA-OG1 3.35Å; N844-T847 PolarHBondContact O-OG1 2.87Å; T847-D850 PolarHBondContact O-N 2.77Å; T847-V851 VanDerWaalsContact O-CB 3.31Å; T847-V851 WeakPolarHBondContact O-CB 3.26Å; T847-V851 WeakPolarHBondContact O-CG2 3.02Å; T847-V851 PolarHBondContact O-N 3.28Å
848L85.7Confident87.1Confident69 Ų6994.6 Ų94.636%0.36147%0.466SS..Hα-helixtrans-65.2-37.4169.3-85.2164.4000112.9N844 R846 Q852N844-L848 VanDerWaalsContact O-CB 3.22Å; N844-L848 WeakPolarHBondContact O-CB 3.46Å; N844-L848 WeakPolarHBondContact O-CD1 3.29Å; N844-L848 VanDerWaalsContact O-CG 3.3Å; N844-L848 WeakPolarHBondContact O-CG 3.38Å; N844-L848 PolarHBondContact O-N 2.73Å; R846-L848 VanDerWaalsContact C-N 3.27Å; R846-L848 PolarHBondContact O-N 3.18Å; L848-Q852 VanDerWaalsContact O-CB 3.32Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 2.81Å
849K88.8Confident87Confident135 Ų13593.7 Ų93.759%0.58746%0.464SS*.Hα-helixtrans-67.5-45.7174.4-166.1-164.3175.3-126.20110.7Q845 R846 V851 Q852 E853Q845-K849 WeakPolarHBondContact O-CB 3.46Å; Q845-K849 PolarHBondContact O-N 3.49Å; Q845-K849 VanDerWaalsContact O-N 3.11Å; R846-K849 CarbonylContact O-C 3.55Å; R846-K849 WeakPolarHBondContact O-CA 3.32Å; R846-K849 VanDerWaalsContact O-CB 3.31Å; R846-K849 WeakPolarHBondContact O-CB 3.21Å; R846-K849 PolarHBondContact O-N 2.84Å; K849-V851 VanDerWaalsContact C-N 3.31Å; K849-V851 PolarHBondContact O-N 3.06Å; K849-Q852 WeakPolarHBondContact O-CB 3.48Å; K849-Q852 PolarHBondContact O-N 3.42Å; K849-Q852 VanDerWaalsContact O-N 3.12Å; K849-E853 IonicContact NZ-OE2 2.74Å; K849-E853 WeakPolarHBondContact O-CB 3.42Å; K849-E853 PolarHBondContact O-N 2.85Å
850D85.7Confident87Confident82 Ų8296.4 Ų96.444%0.43947%0.471SS..Hα-helixtrans-61.5-40.7178.3-50.2-27.7000110.9R846 T847 E853 L854R846-D850 PolarHBondContact O-N 3.33Å; T847-D850 PolarHBondContact O-N 2.77Å; D850-E853 PolarHBondContact O-N 3.3Å; D850-L854 WeakPolarHBondContact O-CB 3.41Å; D850-L854 WeakPolarHBondContact O-CG 3.29Å; D850-L854 PolarHBondContact O-N 3.12Å
851V87.6Confident87.1Confident91 Ų9196 Ų9655%0.55247%0.47SS*.Hα-helixtrans-69.1-34.4174.4167.80000112.4T847 K849 L855T847-V851 VanDerWaalsContact O-CB 3.31Å; T847-V851 WeakPolarHBondContact O-CB 3.26Å; T847-V851 WeakPolarHBondContact O-CG2 3.02Å; T847-V851 PolarHBondContact O-N 3.28Å; K849-V851 VanDerWaalsContact C-N 3.31Å; K849-V851 PolarHBondContact O-N 3.06Å; V851-L855 VanDerWaalsContact O-CB 3.28Å; V851-L855 WeakPolarHBondContact O-CB 3.3Å; V851-L855 PolarHBondContact O-N 3.11Å
852Q88Confident87.2Confident93 Ų9399.5 Ų99.544%0.43548%0.479SS..Hα-helixtrans-67.4-41.8173.217959.447.800111.2L848 K849 L855 D856L848-Q852 VanDerWaalsContact O-CB 3.32Å; L848-Q852 WeakPolarHBondContact O-CB 3.43Å; L848-Q852 PolarHBondContact O-N 2.81Å; K849-Q852 WeakPolarHBondContact O-CB 3.48Å; K849-Q852 PolarHBondContact O-N 3.42Å; K849-Q852 VanDerWaalsContact O-N 3.12Å; Q852-L855 WeakPolarHBondContact O-CB 3.48Å; Q852-L855 PolarHBondContact O-N 3.03Å; Q852-D856 PolarHBondContact NE2-OD1 3.01Å; Q852-D856 PolarHBondContact NE2-OD2 2.74Å; Q852-D856 WeakPolarHBondContact O-CB 3.19Å; Q852-D856 PolarHBondContact O-N 3.34Å
853E87.9Confident87.3Confident110 Ų11099.5 Ų99.551%0.51448%0.484SS..Hα-helixtrans-63.7-44177.1-165.9159.7170.900111.1K849 D850 L855 D856 D857K849-E853 IonicContact NZ-OE2 2.74Å; K849-E853 WeakPolarHBondContact O-CB 3.42Å; K849-E853 PolarHBondContact O-N 2.85Å; D850-E853 PolarHBondContact O-N 3.3Å; E853-L855 PolarHBondContact O-N 2.76Å; E853-D856 PolarHBondContact O-N 2.81Å; E853-D857 PolarHBondContact O-N 3.34Å
854L89Confident87.4Confident116 Ų116102 Ų10261%0.60749%0.491SS*.Hα-helixtrans-63.9-34.7171.6-71.8170.4000113.6D850 E858D850-L854 WeakPolarHBondContact O-CB 3.41Å; D850-L854 WeakPolarHBondContact O-CG 3.29Å; D850-L854 PolarHBondContact O-N 3.12Å; L854-E858 WeakPolarHBondContact O-CB 3.39Å; L854-E858 WeakPolarHBondContact O-CG 3.41Å; L854-E858 PolarHBondContact O-N 3.06Å
855L87.4Confident87.5Confident103 Ų103102.9 Ų102.954%0.53950%0.495SS..Hα-helixtrans-69.7-40.2175.4177.862.1000111.5V851 Q852 E853 E858 S859V851-L855 VanDerWaalsContact O-CB 3.28Å; V851-L855 WeakPolarHBondContact O-CB 3.3Å; V851-L855 PolarHBondContact O-N 3.11Å; Q852-L855 WeakPolarHBondContact O-CB 3.48Å; Q852-L855 PolarHBondContact O-N 3.03Å; E853-L855 PolarHBondContact O-N 2.76Å; L855-E858 PolarHBondContact O-N 3.02Å; L855-S859 WeakPolarHBondContact O-CB 3.42Å; L855-S859 PolarHBondContact O-N 3.38Å
856D87.7Confident87.5Confident66 Ų66102.9 Ų102.935%0.35350%0.496SS..Hα-helixtrans-67-38.8175.7-71.3-29.8000110.7Q852 E853 S859 R860Q852-D856 PolarHBondContact NE2-OD1 3.01Å; Q852-D856 PolarHBondContact NE2-OD2 2.74Å; Q852-D856 WeakPolarHBondContact O-CB 3.19Å; Q852-D856 PolarHBondContact O-N 3.34Å; E853-D856 PolarHBondContact O-N 2.81Å; D856-S859 WeakPolarHBondContact O-CA 3.3Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.09Å; D856-S859 PolarHBondContact O-OG 3.23Å; D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 2.89Å
857D87.9Confident87.6Confident74 Ų74101.2 Ų101.240%0.39649%0.494SS..Hα-helixtrans-66.3-41.7172.2-95.22.3000113.5E853 S859 R860 K861E853-D857 PolarHBondContact O-N 3.34Å; D857-S859 PolarHBondContact O-N 2.98Å; D857-R860 WeakPolarHBondContact O-CB 3.45Å; D857-R860 PolarHBondContact O-N 3.41Å; D857-R860 VanDerWaalsContact O-N 3.17Å; D857-R860 WeakPolarHBondContact OD1-CD 3.37Å; D857-R860 IonicContact OD1-NE 2.56Å; D857-K861 WeakPolarHBondContact O-CG 3.44Å; D857-K861 PolarHBondContact O-N 3.2Å
858E84.6Confident87.6Confident85 Ų85102.6 Ų102.640%0.39750%0.496SS..Hα-helixtrans-63.2-31170.2-80.1-60.812800112L854 L855 K861 R862L854-E858 WeakPolarHBondContact O-CB 3.39Å; L854-E858 WeakPolarHBondContact O-CG 3.41Å; L854-E858 PolarHBondContact O-N 3.06Å; L855-E858 PolarHBondContact O-N 3.02Å; E858-K861 WeakPolarHBondContact OE1-CD 3.21Å; E858-K861 WeakPolarHBondContact OE1-CE 3.39Å; E858-K861 IonicContact OE1-NZ 2.71Å; E858-K861 PolarHBondContact OE1-NZ 2.94Å; E858-R862 VanDerWaalsContact O-CB 3.3Å; E858-R862 WeakPolarHBondContact O-CB 3.4Å; E858-R862 WeakPolarHBondContact O-CD 3.19Å; E858-R862 WeakPolarHBondContact O-CG 3.11Å; E858-R862 PolarHBondContact O-N 3.36Å
859S86.5Confident87.6Confident56 Ų56103.6 Ų103.639%0.39250%0.502SS..Hα-helixtrans-66.8-41.7171.691.40000111.6L855 D856 D857 R862 T863L855-S859 WeakPolarHBondContact O-CB 3.42Å; L855-S859 PolarHBondContact O-N 3.38Å; D856-S859 WeakPolarHBondContact O-CA 3.3Å; D856-S859 WeakPolarHBondContact O-CB 3.36Å; D856-S859 PolarHBondContact O-N 3.09Å; D856-S859 PolarHBondContact O-OG 3.23Å; D857-S859 PolarHBondContact O-N 2.98Å; S859-R862 PolarHBondContact O-N 2.91Å; S859-T863 PolarHBondContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 2.7Å
860R87.8Confident87.6Confident157 Ų157103 Ų10359%0.59250%0.499SS*.Hα-helixtrans-63.5-45175.6-66.8167.6-160.8-115.36.6111.4D856 D857 T863 K864D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 2.89Å; D857-R860 WeakPolarHBondContact O-CB 3.45Å; D857-R860 PolarHBondContact O-N 3.41Å; D857-R860 VanDerWaalsContact O-N 3.17Å; D857-R860 WeakPolarHBondContact OD1-CD 3.37Å; D857-R860 IonicContact OD1-NE 2.56Å; R860-T863 WeakPolarHBondContact CA-OG1 3.46Å; R860-T863 PolarHBondContact O-N 2.64Å; R860-T863 PolarHBondContact O-OG1 3.39Å; R860-K864 PolarHBondContact O-N 2.94Å
861K89.4Confident87.6Confident103 Ų103103.2 Ų103.245%0.44850%0.497SS..Hα-helixtrans-61.4-44.5174.1-68176.9-145165.60111.4D857 E858 T863 K864 L865D857-K861 WeakPolarHBondContact O-CG 3.44Å; D857-K861 PolarHBondContact O-N 3.2Å; E858-K861 WeakPolarHBondContact OE1-CD 3.21Å; E858-K861 WeakPolarHBondContact OE1-CE 3.39Å; E858-K861 IonicContact OE1-NZ 2.71Å; E858-K861 PolarHBondContact OE1-NZ 2.94Å; K861-T863 PolarHBondContact O-N 2.83Å; K861-K864 PolarHBondContact O-N 3.43Å; K861-L865 WeakPolarHBondContact O-CB 3.48Å; K861-L865 WeakPolarHBondContact O-CG 3.15Å; K861-L865 PolarHBondContact O-N 2.94Å
862R88.2Confident87.5Confident157 Ų157103.2 Ų103.259%0.59249%0.494SS*.Hα-helixtrans-59.9-44.8174.6-78.7168174.9-88.2-4.6112.3E858 S859 K864 L865 E866E858-R862 VanDerWaalsContact O-CB 3.3Å; E858-R862 WeakPolarHBondContact O-CB 3.4Å; E858-R862 WeakPolarHBondContact O-CD 3.19Å; E858-R862 WeakPolarHBondContact O-CG 3.11Å; E858-R862 PolarHBondContact O-N 3.36Å; S859-R862 PolarHBondContact O-N 2.91Å; R862-K864 PolarHBondContact O-N 3.42Å; R862-L865 PolarHBondContact O-N 2.82Å; R862-E866 VanDerWaalsContact O-CB 3.31Å; R862-E866 WeakPolarHBondContact O-CB 3.08Å; R862-E866 WeakPolarHBondContact O-CG 3.31Å; R862-E866 PolarHBondContact O-N 3.22Å
863T88.4Confident87.3Confident87 Ų87105.2 Ų105.253%0.53450%0.503SS..Hα-helixtrans-66.3-36.7177.548.90000112.8S859 R860 K861 E866 Q867S859-T863 PolarHBondContact O-N 3.08Å; S859-T863 PolarHBondContact O-OG1 2.7Å; R860-T863 WeakPolarHBondContact CA-OG1 3.46Å; R860-T863 PolarHBondContact O-N 2.64Å; R860-T863 PolarHBondContact O-OG1 3.39Å; K861-T863 PolarHBondContact O-N 2.83Å; T863-E866 PolarHBondContact O-N 3.42Å; T863-Q867 WeakPolarHBondContact O-CB 3.06Å; T863-Q867 PolarHBondContact O-N 3.34Å
864K89.5Confident87.1Confident148 Ų148105.5 Ų105.564%0.64350%0.504SS*.Hα-helixtrans-62.7-48.8171.2-75.6-174.5174.2-171.40111.6R860 K861 R862 E866 Q867 Q868R860-K864 PolarHBondContact O-N 2.94Å; K861-K864 PolarHBondContact O-N 3.43Å; R862-K864 PolarHBondContact O-N 3.42Å; K864-E866 VanDerWaalsContact C-N 3.35Å; K864-E866 PolarHBondContact O-N 3Å; K864-Q867 WeakPolarHBondContact O-CB 3.32Å; K864-Q867 PolarHBondContact O-N 2.89Å; K864-Q867 VanDerWaalsContact O-N 3.1Å; K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 2.83Å
865L87.1Confident86.9Confident98 Ų98104.9 Ų104.951%0.51350%0.498SS..Hα-helixtrans-65.7-34.2178-71.3168.9000112.6K861 R862 Q867 N869K861-L865 WeakPolarHBondContact O-CB 3.48Å; K861-L865 WeakPolarHBondContact O-CG 3.15Å; K861-L865 PolarHBondContact O-N 2.94Å; R862-L865 PolarHBondContact O-N 2.82Å; L865-Q867 VanDerWaalsContact C-N 3.32Å; L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 3.09Å; L865-N869 PolarHBondContact O-ND2 2.95Å
866E86.4Confident86.3Confident112 Ų112103.8 Ų103.852%0.52349%0.493SS..Hα-helixtrans-73.5-21.4172.8-78.4-174.2-164.500113R862 T863 K864 K870R862-E866 VanDerWaalsContact O-CB 3.31Å; R862-E866 WeakPolarHBondContact O-CB 3.08Å; R862-E866 WeakPolarHBondContact O-CG 3.31Å; R862-E866 PolarHBondContact O-N 3.22Å; T863-E866 PolarHBondContact O-N 3.42Å; K864-E866 VanDerWaalsContact C-N 3.35Å; K864-E866 PolarHBondContact O-N 3Å; E866-K870 WeakPolarHBondContact O-CG 3.4Å; E866-K870 PolarHBondContact O-NZ 3.12Å
867Q88.8Confident85.9Confident113 Ų113103.2 Ų103.253%0.52850%0.497SS..Hα-helixtrans-79-50.2169.4174.4171.1-16.800110T863 K864 L865 N869 K870 E871T863-Q867 WeakPolarHBondContact O-CB 3.06Å; T863-Q867 PolarHBondContact O-N 3.34Å; K864-Q867 WeakPolarHBondContact O-CB 3.32Å; K864-Q867 PolarHBondContact O-N 2.89Å; K864-Q867 VanDerWaalsContact O-N 3.1Å; L865-Q867 VanDerWaalsContact C-N 3.32Å; Q867-N869 VanDerWaalsContact C-N 3.28Å; Q867-N869 PolarHBondContact O-N 3.32Å; Q867-K870 WeakPolarHBondContact O-CA 3.39Å; Q867-K870 WeakPolarHBondContact O-CB 3.46Å; Q867-K870 PolarHBondContact O-N 3.12Å; Q867-E871 WeakPolarHBondContact CG-OE1 3.39Å; Q867-E871 PolarHBondContact NE2-OE1 3.37Å; Q867-E871 PolarHBondContact O-N 2.91Å
868Q87.9Confident85.4Confident99 Ų99104.4 Ų104.446%0.46350%0.5SS..Hα-helixtrans-58.8-36.2175.9-70.9176.2-5100112.5K864 K870 E871 L872K864-Q868 WeakPolarHBondContact O-CG 3.39Å; K864-Q868 PolarHBondContact O-N 2.83Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 2.84Å; Q868-E871 PolarHBondContact O-N 2.9Å; Q868-L872 WeakPolarHBondContact O-CB 3.42Å; Q868-L872 VanDerWaalsContact O-CG 3.27Å; Q868-L872 WeakPolarHBondContact O-CG 3.41Å; Q868-L872 PolarHBondContact O-N 2.8Å
869N84.3Confident84.8Confident91 Ų91105.1 Ų105.149%0.48751%0.506SS..Hα-helixtrans-66.3-31.5172.1-87.7-96.8000112.7L865 Q867 E873L865-N869 WeakPolarHBondContact O-CB 3.49Å; L865-N869 PolarHBondContact O-N 3.09Å; L865-N869 PolarHBondContact O-ND2 2.95Å; Q867-N869 VanDerWaalsContact C-N 3.28Å; Q867-N869 PolarHBondContact O-N 3.32Å; N869-E873 VanDerWaalsContact O-CB 3.23Å; N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 VanDerWaalsContact O-CG 3.23Å; N869-E873 WeakPolarHBondContact O-CG 3.29Å; N869-E873 PolarHBondContact O-N 2.86Å
870K88.7Confident84Confident123 Ų123110.2 Ų110.254%0.53552%0.517SS..Hα-helixtrans-73.7-37.6173.9-70.3178.4-163.583.40111.8E866 Q867 Q868 E873 Q874E866-K870 WeakPolarHBondContact O-CG 3.4Å; E866-K870 PolarHBondContact O-NZ 3.12Å; Q867-K870 WeakPolarHBondContact O-CA 3.39Å; Q867-K870 WeakPolarHBondContact O-CB 3.46Å; Q867-K870 PolarHBondContact O-N 3.12Å; Q868-K870 VanDerWaalsContact C-N 3.33Å; Q868-K870 PolarHBondContact O-N 2.84Å; K870-E873 PolarHBondContact O-N 2.82Å; K870-Q874 VanDerWaalsContact O-CB 3.3Å; K870-Q874 WeakPolarHBondContact O-CB 3.44Å; K870-Q874 PolarHBondContact O-N 2.81Å
871E86.6Confident82.8Confident85 Ų85109.4 Ų109.440%0.39752%0.52SS..Hα-helixtrans-63.9-43.7174.4-70.2158.1-179.300110.2Q867 Q868 Q874 Q875Q867-E871 WeakPolarHBondContact CG-OE1 3.39Å; Q867-E871 PolarHBondContact NE2-OE1 3.37Å; Q867-E871 PolarHBondContact O-N 2.91Å; Q868-E871 PolarHBondContact O-N 2.9Å; E871-Q874 PolarHBondContact O-N 3.46Å; E871-Q875 WeakPolarHBondContact O-CB 3.17Å; E871-Q875 WeakPolarHBondContact O-CG 3.26Å; E871-Q875 PolarHBondContact O-N 2.93Å
872L84.8Confident81.3Confident92 Ų92114.2 Ų114.248%0.48254%0.537SS..Hα-helixtrans-68.4-37.9172.2-70.8167.3000113.4Q868 Q874 Q875 L876Q868-L872 WeakPolarHBondContact O-CB 3.42Å; Q868-L872 VanDerWaalsContact O-CG 3.27Å; Q868-L872 WeakPolarHBondContact O-CG 3.41Å; Q868-L872 PolarHBondContact O-N 2.8Å; L872-Q874 VanDerWaalsContact C-N 3.3Å; L872-Q875 PolarHBondContact O-N 3.31Å; L872-L876 VanDerWaalsContact O-CB 3.23Å; L872-L876 WeakPolarHBondContact O-CB 3.34Å; L872-L876 VanDerWaalsContact O-CG 3.23Å; L872-L876 WeakPolarHBondContact O-CG 3.42Å; L872-L876 PolarHBondContact O-N 2.84Å
873E84.4Confident79.6Confident135 Ų135112.6 Ų112.663%0.63154%0.54SS*.Hα-helixtrans-64.8-35.2172.9-83179.2167.500111.5N869 K870 A877N869-E873 VanDerWaalsContact O-CB 3.23Å; N869-E873 WeakPolarHBondContact O-CB 3.45Å; N869-E873 VanDerWaalsContact O-CG 3.23Å; N869-E873 WeakPolarHBondContact O-CG 3.29Å; N869-E873 PolarHBondContact O-N 2.86Å; K870-E873 PolarHBondContact O-N 2.82Å; E873-A877 WeakPolarHBondContact O-CB 3.5Å; E873-A877 PolarHBondContact O-N 2.76Å
874Q83.9Confident77.7Confident116 Ų116114.8 Ų114.854%0.54254%0.544SS..Hα-helixtrans-71.3-47.5174.2179.6172.8-23.100111.2K870 E871 L872 L876 A877 E878K870-Q874 VanDerWaalsContact O-CB 3.3Å; K870-Q874 WeakPolarHBondContact O-CB 3.44Å; K870-Q874 PolarHBondContact O-N 2.81Å; E871-Q874 PolarHBondContact O-N 3.46Å; L872-Q874 VanDerWaalsContact C-N 3.3Å; Q874-L876 VanDerWaalsContact C-N 3.29Å; Q874-L876 PolarHBondContact O-N 2.86Å; Q874-A877 CarbonylContact O-C 3.58Å; Q874-A877 WeakPolarHBondContact O-CA 3.3Å; Q874-A877 WeakPolarHBondContact O-CB 3.23Å; Q874-A877 PolarHBondContact O-N 3.41Å; Q874-E878 HydrophobicContact CG-CG 4.41Å; Q874-E878 VanDerWaalsContact CG-OE1 3.27Å; Q874-E878 WeakPolarHBondContact CG-OE1 3.25Å; Q874-E878 PolarHBondContact NE2-OE1 3.16Å; Q874-E878 WeakPolarHBondContact O-CG 3.38Å; Q874-E878 PolarHBondContact O-N 3.12Å
875Q84.6Confident75.7Confident103 Ų103111.4 Ų111.448%0.48154%0.537SS..Hα-helixtrans-58.8-39.9173.6-74.3172.7-1100111.6E871 L872 A877 E878 L879E871-Q875 WeakPolarHBondContact O-CB 3.17Å; E871-Q875 WeakPolarHBondContact O-CG 3.26Å; E871-Q875 PolarHBondContact O-N 2.93Å; L872-Q875 PolarHBondContact O-N 3.31Å; Q875-A877 VanDerWaalsContact C-N 3.28Å; Q875-A877 PolarHBondContact O-N 3.08Å; Q875-E878 PolarHBondContact O-N 2.78Å; Q875-L879 VanDerWaalsContact O-CB 3.24Å; Q875-L879 WeakPolarHBondContact O-CB 3.49Å; Q875-L879 VanDerWaalsContact O-CG 3.23Å; Q875-L879 WeakPolarHBondContact O-CG 3.31Å; Q875-L879 PolarHBondContact O-N 2.92Å
876L75.5Confident73.9Confident80 Ų80113.1 Ų113.142%0.41954%0.542SS..Hα-helixtrans-70.8-18.5173.3-75170.8000113.8L872 Q874 R880L872-L876 VanDerWaalsContact O-CB 3.23Å; L872-L876 WeakPolarHBondContact O-CB 3.34Å; L872-L876 VanDerWaalsContact O-CG 3.23Å; L872-L876 WeakPolarHBondContact O-CG 3.42Å; L872-L876 PolarHBondContact O-N 2.84Å; Q874-L876 VanDerWaalsContact C-N 3.29Å; Q874-L876 PolarHBondContact O-N 2.86Å; L876-R880 WeakPolarHBondContact O-CD 3.34Å; L876-R880 WeakPolarHBondContact O-CG 3.33Å; L876-R880 PolarHBondContact O-N 2.73Å; L876-R880 PolarHBondContact O-NE 3.22Å
877A78.8Confident72.1Confident54 Ų54112.7 Ų112.745%0.44654%0.544SS..Hα-helixtrans-83.6-41.8170.700000111.1E873 Q874 Q875 R880 E881E873-A877 WeakPolarHBondContact O-CB 3.5Å; E873-A877 PolarHBondContact O-N 2.76Å; Q874-A877 CarbonylContact O-C 3.58Å; Q874-A877 WeakPolarHBondContact O-CA 3.3Å; Q874-A877 WeakPolarHBondContact O-CB 3.23Å; Q874-A877 PolarHBondContact O-N 3.41Å; Q875-A877 VanDerWaalsContact C-N 3.28Å; Q875-A877 PolarHBondContact O-N 3.08Å; A877-R880 WeakPolarHBondContact O-CB 3.44Å; A877-R880 PolarHBondContact O-N 2.92Å; A877-R880 VanDerWaalsContact O-N 3.09Å; A877-E881 PolarHBondContact O-N 2.86Å
878E76.6Confident70.6Confident99 Ų99113.5 Ų113.546%0.46355%0.552SS.*Hα-helixtrans-64.9-43.9175.5-70.7167.4-176.900110.9Q874 Q875 R880 E881 Y882Q874-E878 HydrophobicContact CG-CG 4.41Å; Q874-E878 VanDerWaalsContact CG-OE1 3.27Å; Q874-E878 WeakPolarHBondContact CG-OE1 3.25Å; Q874-E878 PolarHBondContact NE2-OE1 3.16Å; Q874-E878 WeakPolarHBondContact O-CG 3.38Å; Q874-E878 PolarHBondContact O-N 3.12Å; Q875-E878 PolarHBondContact O-N 2.78Å; E878-R880 PolarHBondContact O-N 3.22Å; E878-E881 PolarHBondContact O-N 3.09Å; E878-Y882 WeakPolarHBondContact O-CB 3.32Å; E878-Y882 PolarHBondContact O-N 2.84Å
879L72.2Confident69Low100 Ų100112.3 Ų112.352%0.52455%0.548SS..Hα-helixtrans-65.8-18.2171.3-71.4170.4000113.5Q875 N883Q875-L879 VanDerWaalsContact O-CB 3.24Å; Q875-L879 WeakPolarHBondContact O-CB 3.49Å; Q875-L879 VanDerWaalsContact O-CG 3.23Å; Q875-L879 WeakPolarHBondContact O-CG 3.31Å; Q875-L879 PolarHBondContact O-N 2.92Å; L879-N883 WeakPolarHBondContact O-CB 3.22Å; L879-N883 PolarHBondContact O-N 2.86Å; L879-N883 PolarHBondContact O-ND2 2.99Å
880R69.1Low67.8Low163 Ų163111.1 Ų111.162%0.61554%0.544SS*.Hα-helixtrans-83.5-42.7168.9-75.2167.9-163-159.93.9111.6L876 A877 E878 Y882 N883 E884L876-R880 WeakPolarHBondContact O-CD 3.34Å; L876-R880 WeakPolarHBondContact O-CG 3.33Å; L876-R880 PolarHBondContact O-N 2.73Å; L876-R880 PolarHBondContact O-NE 3.22Å; A877-R880 WeakPolarHBondContact O-CB 3.44Å; A877-R880 PolarHBondContact O-N 2.92Å; A877-R880 VanDerWaalsContact O-N 3.09Å; E878-R880 PolarHBondContact O-N 3.22Å; R880-Y882 PolarHBondContact O-N 3.2Å; R880-N883 CarbonylContact O-C 3.59Å; R880-N883 PolarHBondContact O-N 3.34Å; R880-E884 PolarHBondContact O-N 3.21Å
881E64.3Low66.7Low139 Ų139108.3 Ų108.365%0.6554%0.538SS*.Hα-helixtrans-60.9-23.3171.9-163.5169.5169.300111.3A877 E878 R1282A877-E881 PolarHBondContact O-N 2.86Å; E878-E881 PolarHBondContact O-N 3.09Å; E881-R1282 IonicContact OE1-NH2 2.93Å
882Y57.8Low66.1Low204 Ų204111.2 Ų111.280%0.855%0.545SS*.THydrogen-bonded Turntrans-86.6-22171.7-131.3-86.5000115.3E878 R880E878-Y882 WeakPolarHBondContact O-CB 3.32Å; E878-Y882 PolarHBondContact O-N 2.84Å; R880-Y882 PolarHBondContact O-N 3.2Å
883N52.3Low65.6Low123 Ų123112.2 Ų112.266%0.65855%0.547SS*.THydrogen-bonded Turntrans-112.12.8-177.8-75.5-72.5000114.4L879 R880 P885L879-N883 WeakPolarHBondContact O-CB 3.22Å; L879-N883 PolarHBondContact O-N 2.86Å; L879-N883 PolarHBondContact O-ND2 2.99Å; R880-N883 CarbonylContact O-C 3.59Å; R880-N883 PolarHBondContact O-N 3.34Å; N883-P885 WeakPolarHBondContact O-CD 3.45Å
884E47.6Very low65.1Low133 Ų133113.4 Ų113.462%0.62155%0.546SS*.  trans-103.175.7162.6-72.1-176172.300109.9R880 E886R880-E884 PolarHBondContact O-N 3.21Å; E884-E886 PolarHBondContact O-N 3.49Å
885P47Very low65Low78 Ų78113.5 Ų113.551%0.50655%0.546SS..SBendtrans-72.174.5176.132.3-37.4000111.2N883 D887 V890N883-P885 WeakPolarHBondContact O-CD 3.45Å; P885-D887 PolarHBondContact O-N 3.15Å; P885-V890 HydrophobicContact CB-CG2 4.2Å; P885-V890 HydrophobicContact CG-CG2 3.95Å; P885-V890 WeakPolarHBondContact O-CG2 3.34Å
886E50.2Low64.8Low133 Ų133111.7 Ų111.762%0.62155%0.545SS*.THydrogen-bonded Turntrans32.978.1-174.4-70.4-161.2156.300112.6E884 D888 L889E884-E886 PolarHBondContact O-N 3.49Å; E886-D888 PolarHBondContact O-N 2.95Å; E886-L889 PolarHBondContact O-N 3.25Å
887D48.6Very low65.2Low104 Ų104111.7 Ų111.756%0.55655%0.545SS*.Hα-helixtrans-40.6-36.9-170.2-112.20.5000115.1P885 L889 T891P885-D887 PolarHBondContact O-N 3.15Å; D887-L889 VanDerWaalsContact C-N 3.28Å; D887-L889 PolarHBondContact O-N 3.48Å; D887-T891 WeakPolarHBondContact O-CA 3.42Å; D887-T891 WeakPolarHBondContact O-CB 3.33Å; D887-T891 PolarHBondContact O-N 3.49Å; D887-T891 PolarHBondContact O-OG1 3.45Å
888D56.6Low65.4Low129 Ų129114 Ų11469%0.6954%0.544SS*.Hα-helixtrans-57.6-33.4175.4-84.1-21.9000113.8E886 R892E886-D888 PolarHBondContact O-N 2.95Å; D888-R892 WeakPolarHBondContact O-CB 3.47Å; D888-R892 WeakPolarHBondContact O-CG 3.46Å; D888-R892 VanDerWaalsContact O-CZ 3.31Å; D888-R892 PolarHBondContact O-N 3.45Å; D888-R892 PolarHBondContact O-NE 3.1Å; D888-R892 PolarHBondContact O-NH2 3.5Å
889L54.9Low65.9Low74 Ų74112.2 Ų112.239%0.38754%0.543SS..Hα-helixtrans-82.6-53.7-178.5-173.365.9000111.3E886 D887 T891 R892 E893E886-L889 PolarHBondContact O-N 3.25Å; D887-L889 VanDerWaalsContact C-N 3.28Å; D887-L889 PolarHBondContact O-N 3.48Å; L889-T891 VanDerWaalsContact C-N 3.26Å; L889-T891 PolarHBondContact O-N 3.27Å; L889-R892 WeakPolarHBondContact O-CA 3.41Å; L889-R892 WeakPolarHBondContact O-CB 3.44Å; L889-R892 PolarHBondContact O-N 2.91Å; L889-E893 PolarHBondContact O-N 3.43Å
890V58.3Low66.8Low67 Ų67114 Ų11441%0.40655%0.546SS..Hα-helixtrans-63.9-33.7177.4175.40000111.1P885 E893 W894P885-V890 HydrophobicContact CB-CG2 4.2Å; P885-V890 HydrophobicContact CG-CG2 3.95Å; P885-V890 WeakPolarHBondContact O-CG2 3.34Å; V890-E893 PolarHBondContact O-N 3.25Å; V890-W894 WeakPolarHBondContact O-CB 3.4Å; V890-W894 PolarHBondContact O-N 3.08Å
891T66.8Low67.7Low64 Ų64111.4 Ų111.439%0.39354%0.544SS..Hα-helixtrans-64.9-39.6170.4-60.70000111.9D887 L889 W894 E895D887-T891 WeakPolarHBondContact O-CA 3.42Å; D887-T891 WeakPolarHBondContact O-CB 3.33Å; D887-T891 PolarHBondContact O-N 3.49Å; D887-T891 PolarHBondContact O-OG1 3.45Å; L889-T891 VanDerWaalsContact C-N 3.26Å; L889-T891 PolarHBondContact O-N 3.27Å; T891-W894 PolarHBondContact O-N 2.81Å; T891-E895 HydrophobicContact CG2-CG 4.28Å; T891-E895 VanDerWaalsContact O-CB 3.3Å; T891-E895 WeakPolarHBondContact O-CB 3.16Å; T891-E895 WeakPolarHBondContact O-CG 3.21Å; T891-E895 PolarHBondContact O-N 3.05Å
892R73.7Confident68.9Low145 Ų145110.8 Ų110.855%0.54754%0.536SS..Hα-helixtrans-64.6-41175.1-89.5176.1-77.1137.1-1112.4D888 L889 S896D888-R892 WeakPolarHBondContact O-CB 3.47Å; D888-R892 WeakPolarHBondContact O-CG 3.46Å; D888-R892 VanDerWaalsContact O-CZ 3.31Å; D888-R892 PolarHBondContact O-N 3.45Å; D888-R892 PolarHBondContact O-NE 3.1Å; D888-R892 PolarHBondContact O-NH2 3.5Å; L889-R892 WeakPolarHBondContact O-CA 3.41Å; L889-R892 WeakPolarHBondContact O-CB 3.44Å; L889-R892 PolarHBondContact O-N 2.91Å; R892-S896 VanDerWaalsContact O-CB 3.31Å; R892-S896 WeakPolarHBondContact O-CB 3.32Å; R892-S896 PolarHBondContact O-N 3.35Å
893E73.5Confident70.4Confident113 Ų113103.5 Ų103.553%0.52852%0.518SS..Hα-helixtrans-69.2-42.3176.5-68.6-174.4168.300111.5L889 V890 S896 I897L889-E893 PolarHBondContact O-N 3.43Å; V890-E893 PolarHBondContact O-N 3.25Å; E893-S896 WeakPolarHBondContact O-CB 3.36Å; E893-S896 PolarHBondContact O-N 3.09Å; E893-S896 VanDerWaalsContact O-N 3.16Å; E893-I897 VanDerWaalsContact O-CG1 3.32Å; E893-I897 WeakPolarHBondContact O-CG1 3.47Å; E893-I897 PolarHBondContact O-N 3Å
894W74.7Confident72.2Confident160 Ų160101.1 Ų101.161%0.60651%0.506SS*.Hα-helixtrans-63.8-40.9174.2-172.3-124.6000112.4V890 T891 S896 K898V890-W894 WeakPolarHBondContact O-CB 3.4Å; V890-W894 PolarHBondContact O-N 3.08Å; T891-W894 PolarHBondContact O-N 2.81Å; W894-S896 VanDerWaalsContact C-N 3.32Å; W894-S896 PolarHBondContact O-N 3.35Å; W894-K898 WeakPolarHBondContact O-CB 3.48Å; W894-K898 PolarHBondContact O-N 2.93Å
895E80.9Confident74.2Confident118 Ų11897.7 Ų97.755%0.55150%0.5SS*.Hα-helixtrans-66.5-32.7172.6-75.8-163.5149.700112.5T891 S899T891-E895 HydrophobicContact CG2-CG 4.28Å; T891-E895 VanDerWaalsContact O-CB 3.3Å; T891-E895 WeakPolarHBondContact O-CB 3.16Å; T891-E895 WeakPolarHBondContact O-CG 3.21Å; T891-E895 PolarHBondContact O-N 3.05Å; E895-S899 WeakPolarHBondContact O-CB 3.41Å; E895-S899 PolarHBondContact O-N 3.25Å; E895-S899 PolarHBondContact O-OG 3.49Å
896S81.3Confident76.2Confident65 Ų6599 Ų9946%0.45550%0.5SS..Hα-helixtrans-66.5-53.6172.7-175.80000111.5R892 E893 W894 K898 S899 K900R892-S896 VanDerWaalsContact O-CB 3.31Å; R892-S896 WeakPolarHBondContact O-CB 3.32Å; R892-S896 PolarHBondContact O-N 3.35Å; E893-S896 WeakPolarHBondContact O-CB 3.36Å; E893-S896 PolarHBondContact O-N 3.09Å; E893-S896 VanDerWaalsContact O-N 3.16Å; W894-S896 VanDerWaalsContact C-N 3.32Å; W894-S896 PolarHBondContact O-N 3.35Å; S896-K898 VanDerWaalsContact C-N 3.35Å; S896-K898 PolarHBondContact O-N 2.79Å; S896-S899 CarbonylContact O-C 3.58Å; S896-S899 WeakPolarHBondContact O-CA 3.48Å; S896-S899 WeakPolarHBondContact O-CB 3.32Å; S896-S899 PolarHBondContact O-N 2.89Å; S896-K900 PolarHBondContact O-N 3.22Å
897I83.6Confident78.2Confident81 Ų8198.6 Ų98.642%0.41550%0.497SS..Hα-helixtrans-56.9-47.8176.5-68.8163.5000110.6E893 S899 K900 L901E893-I897 VanDerWaalsContact O-CG1 3.32Å; E893-I897 WeakPolarHBondContact O-CG1 3.47Å; E893-I897 PolarHBondContact O-N 3Å; I897-S899 PolarHBondContact O-N 2.81Å; I897-K900 PolarHBondContact O-N 2.81Å; I897-L901 HydrophobicContact CG2-CD1 3.97Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 3.4Å
898K84.2Confident80.1Confident101 Ų101101.5 Ų101.544%0.43950%0.501SS..Hα-helixtrans-64.5-20.7175.8-169.8177.7-174.8174.20112.9W894 S896 R902W894-K898 WeakPolarHBondContact O-CB 3.48Å; W894-K898 PolarHBondContact O-N 2.93Å; S896-K898 VanDerWaalsContact C-N 3.35Å; S896-K898 PolarHBondContact O-N 2.79Å; K898-R902 VanDerWaalsContact C-NH1 3.28Å; K898-R902 VanDerWaalsContact O-CG 3.26Å; K898-R902 WeakPolarHBondContact O-CG 3.27Å; K898-R902 PolarHBondContact O-N 2.91Å; K898-R902 PolarHBondContact O-NH1 2.98Å
899S86.2Confident81.8Confident62 Ų62101 Ų10143%0.43449%0.492SS..Hα-helixtrans-87.7-34174.8-60.30000112.6E895 S896 I897 R902 A903E895-S899 WeakPolarHBondContact O-CB 3.41Å; E895-S899 PolarHBondContact O-N 3.25Å; E895-S899 PolarHBondContact O-OG 3.49Å; S896-S899 CarbonylContact O-C 3.58Å; S896-S899 WeakPolarHBondContact O-CA 3.48Å; S896-S899 WeakPolarHBondContact O-CB 3.32Å; S896-S899 PolarHBondContact O-N 2.89Å; I897-S899 PolarHBondContact O-N 2.81Å; S899-R902 PolarHBondContact O-N 3.04Å; S899-R902 PolarHBondContact OG-NH1 3.15Å; S899-R902 VanDerWaalsContact OG-NH1 3.09Å; S899-A903 PolarHBondContact O-N 3.01Å; S899-A903 VanDerWaalsContact O-N 3.1Å
900K90.2Very high83.5Confident137 Ų137104.4 Ų104.460%0.59650%0.5SS*.Hα-helixtrans-58.4-58.8164.5-67.1-175.1177.1-173.40110.4S896 I897 R902 A903 D904S896-K900 PolarHBondContact O-N 3.22Å; I897-K900 PolarHBondContact O-N 2.81Å; K900-R902 PolarHBondContact O-N 3.28Å; K900-A903 CarbonylContact O-C 3.54Å; K900-A903 VanDerWaalsContact O-CA 3.32Å; K900-A903 WeakPolarHBondContact O-CA 3.35Å; K900-A903 VanDerWaalsContact O-CB 3.29Å; K900-A903 WeakPolarHBondContact O-CB 3.35Å; K900-A903 PolarHBondContact O-N 2.98Å; K900-D904 PolarHBondContact O-N 3.18Å
901L89.1Confident85Confident109 Ų109103.1 Ų103.157%0.57149%0.494SS*.Hα-helixtrans-53.8-32.5178.6-73.3168.2000114.1I897 D904 A905I897-L901 HydrophobicContact CG2-CD1 3.97Å; I897-L901 WeakPolarHBondContact O-CG 3.43Å; I897-L901 PolarHBondContact O-N 3.4Å; L901-D904 PolarHBondContact N-OD2 3.46Å; L901-A905 WeakPolarHBondContact O-CB 3.46Å; L901-A905 PolarHBondContact O-N 2.87Å
902R90.1Very high86.1Confident126 Ų126105.2 Ų105.248%0.47550%0.502SS..Hα-helixtrans-73.2-35.1172.4-79.9-170.2-140.396.9-25.8113.1K898 S899 K900 M906K898-R902 VanDerWaalsContact C-NH1 3.28Å; K898-R902 VanDerWaalsContact O-CG 3.26Å; K898-R902 WeakPolarHBondContact O-CG 3.27Å; K898-R902 PolarHBondContact O-N 2.91Å; K898-R902 PolarHBondContact O-NH1 2.98Å; S899-R902 PolarHBondContact O-N 3.04Å; S899-R902 PolarHBondContact OG-NH1 3.15Å; S899-R902 VanDerWaalsContact OG-NH1 3.09Å; K900-R902 PolarHBondContact O-N 3.28Å; R902-M906 WeakPolarHBondContact O-CB 3.45Å; R902-M906 VanDerWaalsContact O-CE 3.24Å; R902-M906 WeakPolarHBondContact O-CE 3.4Å; R902-M906 WeakPolarHBondContact O-CG 3.48Å; R902-M906 PolarHBondContact O-N 2.86Å; R902-M906 VanDerWaalsContact O-N 3.16Å
903A89.1Confident86.9Confident51 Ų51101.6 Ų101.642%0.42149%0.494SS..Hα-helixtrans-67.5-44.5173.300000110.7S899 K900 M906 F907S899-A903 PolarHBondContact O-N 3.01Å; S899-A903 VanDerWaalsContact O-N 3.1Å; K900-A903 CarbonylContact O-C 3.54Å; K900-A903 VanDerWaalsContact O-CA 3.32Å; K900-A903 WeakPolarHBondContact O-CA 3.35Å; K900-A903 VanDerWaalsContact O-CB 3.29Å; K900-A903 WeakPolarHBondContact O-CB 3.35Å; K900-A903 PolarHBondContact O-N 2.98Å; A903-M906 CarbonylContact O-C 3.6Å; A903-M906 WeakPolarHBondContact O-CA 3.38Å; A903-M906 WeakPolarHBondContact O-CB 3.48Å; A903-M906 PolarHBondContact O-N 3.02Å; A903-M906 VanDerWaalsContact O-N 3.09Å; A903-F907 PolarHBondContact O-N 3Å
904D89.7Confident87.8Confident74 Ų74101.5 Ų101.540%0.39649%0.493SS..Hα-helixtrans-65.9-45.4-179.4-47.6-34.2000110.7K900 L901 M906 F907 Y908K900-D904 PolarHBondContact O-N 3.18Å; L901-D904 PolarHBondContact N-OD2 3.46Å; D904-M906 PolarHBondContact O-N 3.41Å; D904-F907 WeakPolarHBondContact O-CA 3.3Å; D904-F907 WeakPolarHBondContact O-CB 3.31Å; D904-F907 PolarHBondContact O-N 3.35Å; D904-Y908 HydrophobicContact CB-CE2 4.41Å; D904-Y908 WeakPolarHBondContact O-CD2 3.47Å; D904-Y908 PolarHBondContact O-N 3.44Å
905A89.1Confident88.5Confident60 Ų6099.2 Ų99.250%0.49649%0.492SS..Hα-helixtrans-61.6-29.8171.700000113.2L901 K909L901-A905 WeakPolarHBondContact O-CB 3.46Å; L901-A905 PolarHBondContact O-N 2.87Å; A905-K909 VanDerWaalsContact O-CB 3.3Å; A905-K909 WeakPolarHBondContact O-CB 3.39Å; A905-K909 PolarHBondContact O-N 3.46Å; A905-K909 VanDerWaalsContact O-N 3.09Å
906M89.4Confident89Confident105 Ų10598.8 Ų98.852%0.51749%0.491SS..Hα-helixtrans-80.5-17171-77.9-170.8-72.800113.6R902 A903 D904 R910R902-M906 WeakPolarHBondContact O-CB 3.45Å; R902-M906 VanDerWaalsContact O-CE 3.24Å; R902-M906 WeakPolarHBondContact O-CE 3.4Å; R902-M906 WeakPolarHBondContact O-CG 3.48Å; R902-M906 PolarHBondContact O-N 2.86Å; R902-M906 VanDerWaalsContact O-N 3.16Å; A903-M906 CarbonylContact O-C 3.6Å; A903-M906 WeakPolarHBondContact O-CA 3.38Å; A903-M906 WeakPolarHBondContact O-CB 3.48Å; A903-M906 PolarHBondContact O-N 3.02Å; A903-M906 VanDerWaalsContact O-N 3.09Å; D904-M906 PolarHBondContact O-N 3.41Å; M906-R910 WeakPolarHBondContact O-CG 3.34Å; M906-R910 PolarHBondContact O-NH1 2.8Å
907F91.4Very high89.4Confident126 Ų126102.7 Ų102.755%0.55350%0.502SS*.Hα-helixtrans-76.4-58.6169.9177.2-97000109.1A903 D904 K909 R910 S911A903-F907 PolarHBondContact O-N 3Å; D904-F907 WeakPolarHBondContact O-CA 3.3Å; D904-F907 WeakPolarHBondContact O-CB 3.31Å; D904-F907 PolarHBondContact O-N 3.35Å; F907-K909 VanDerWaalsContact C-N 3.26Å; F907-K909 PolarHBondContact O-N 3.05Å; F907-R910 WeakPolarHBondContact O-CA 3.23Å; F907-R910 WeakPolarHBondContact O-CB 3.39Å; F907-R910 PolarHBondContact O-N 3.27Å; F907-S911 PolarHBondContact O-N 3.28Å; F907-S911 PolarHBondContact O-OG 2.86Å
908Y89.3Confident89.7Confident164 Ų164104.9 Ų104.964%0.64351%0.51SS*.Hα-helixtrans-55.9-37.7177.2-65.7-60.4000113D904 R910 S911 L912D904-Y908 HydrophobicContact CB-CE2 4.41Å; D904-Y908 WeakPolarHBondContact O-CD2 3.47Å; D904-Y908 PolarHBondContact O-N 3.44Å; Y908-R910 PolarHBondContact O-N 3.09Å; Y908-S911 PolarHBondContact O-N 2.81Å; Y908-L912 WeakPolarHBondContact O-CB 3.13Å; Y908-L912 PolarHBondContact O-N 2.88Å
909K91.8Very high89.8Confident118 Ų118107.2 Ų107.251%0.51352%0.517SS..Hα-helixtrans-60.8-42.3172.7-173.1177.6-172.3-66.50112.3A905 F907 L912 D913A905-K909 VanDerWaalsContact O-CB 3.3Å; A905-K909 WeakPolarHBondContact O-CB 3.39Å; A905-K909 PolarHBondContact O-N 3.46Å; A905-K909 VanDerWaalsContact O-N 3.09Å; F907-K909 VanDerWaalsContact C-N 3.26Å; F907-K909 PolarHBondContact O-N 3.05Å; K909-L912 PolarHBondContact O-N 3.2Å; K909-D913 IonicContact NZ-OD1 2.68Å; K909-D913 PolarHBondContact NZ-OD1 3.3Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 2.91Å; K909-D913 WeakPolarHBondContact O-CB 3.41Å; K909-D913 PolarHBondContact O-N 2.93Å
910R90.6Very high89.8Confident147 Ų147106.7 Ų106.756%0.55551%0.509SS*.Hα-helixtrans-65.9-40.3178-74.5-178.2-167.5100.4-9.9111.5M906 F907 Y908 L912 D913 Q914M906-R910 WeakPolarHBondContact O-CG 3.34Å; M906-R910 PolarHBondContact O-NH1 2.8Å; F907-R910 WeakPolarHBondContact O-CA 3.23Å; F907-R910 WeakPolarHBondContact O-CB 3.39Å; F907-R910 PolarHBondContact O-N 3.27Å; Y908-R910 PolarHBondContact O-N 3.09Å; R910-L912 VanDerWaalsContact C-N 3.3Å; R910-L912 PolarHBondContact O-N 2.96Å; R910-D913 PolarHBondContact O-N 3.08Å; R910-Q914 WeakPolarHBondContact O-CB 3.47Å; R910-Q914 VanDerWaalsContact O-CG 3.29Å; R910-Q914 WeakPolarHBondContact O-CG 3.47Å; R910-Q914 PolarHBondContact O-N 3.48Å
911S90.1Very high89.7Confident39 Ų39104.8 Ų104.827%0.27350%0.503SS..Hα-helixtrans-61.2-39174.7-53.80000112F907 Y908 Q914 L915F907-S911 PolarHBondContact O-N 3.28Å; F907-S911 PolarHBondContact O-OG 2.86Å; Y908-S911 PolarHBondContact O-N 2.81Å; S911-Q914 PolarHBondContact O-N 2.81Å; S911-L915 WeakPolarHBondContact O-CG 3.49Å; S911-L915 PolarHBondContact O-N 2.74Å
912L89.9Confident89.4Confident108 Ų108106.8 Ų106.857%0.56550%0.504SS*.Hα-helixtrans-71.4-42174.9-169.5151.9000112.3Y908 K909 R910 Q914 L915 Q916Y908-L912 WeakPolarHBondContact O-CB 3.13Å; Y908-L912 PolarHBondContact O-N 2.88Å; K909-L912 PolarHBondContact O-N 3.2Å; R910-L912 VanDerWaalsContact C-N 3.3Å; R910-L912 PolarHBondContact O-N 2.96Å; L912-Q914 PolarHBondContact O-N 3.44Å; L912-L915 PolarHBondContact O-N 3.19Å; L912-Q916 WeakPolarHBondContact O-CB 3.24Å; L912-Q916 PolarHBondContact O-N 3.47Å
913D91.4Very high89Confident69 Ų69108 Ų10837%0.36951%0.508SS..Hα-helixtrans-58.4-37.1172.8-66.3-30.1000110.5K909 R910 E917K909-D913 IonicContact NZ-OD1 2.68Å; K909-D913 PolarHBondContact NZ-OD1 3.3Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 2.91Å; K909-D913 WeakPolarHBondContact O-CB 3.41Å; K909-D913 PolarHBondContact O-N 2.93Å; R910-D913 PolarHBondContact O-N 3.08Å; D913-E917 PolarHBondContact O-N 2.78Å; D913-E917 VanDerWaalsContact O-N 3.17Å
914Q91.4Very high88.6Confident111 Ų111110.7 Ų110.752%0.51951%0.514SS..Hα-helixtrans-71.9-47.3175.8-74.3178.9-77.400113.1R910 S911 L912 Q916 E917 E918R910-Q914 WeakPolarHBondContact O-CB 3.47Å; R910-Q914 VanDerWaalsContact O-CG 3.29Å; R910-Q914 WeakPolarHBondContact O-CG 3.47Å; R910-Q914 PolarHBondContact O-N 3.48Å; S911-Q914 PolarHBondContact O-N 2.81Å; L912-Q914 PolarHBondContact O-N 3.44Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q914-E917 WeakPolarHBondContact O-CB 3.31Å; Q914-E917 PolarHBondContact O-N 3.46Å; Q914-E918 PolarHBondContact O-N 2.87Å
915L90.9Very high88.1Confident112 Ų112112.2 Ų112.259%0.58652%0.523SS*.Hα-helixtrans-59.3-32.9174.9-77.6166.3000111.8S911 L912 Y919S911-L915 WeakPolarHBondContact O-CG 3.49Å; S911-L915 PolarHBondContact O-N 2.74Å; L912-L915 PolarHBondContact O-N 3.19Å; L915-Y919 WeakPolarHBondContact O-CB 3.45Å; L915-Y919 PolarHBondContact O-N 3.41Å
916Q90.2Very high87.5Confident110 Ų110112.5 Ų112.551%0.51452%0.516SS..Hα-helixtrans-69.5-39.1173.1-172.2175.9-13.800112.3L912 Q914 Y919 D920L912-Q916 WeakPolarHBondContact O-CB 3.24Å; L912-Q916 PolarHBondContact O-N 3.47Å; Q914-Q916 PolarHBondContact O-N 2.92Å; Q916-Y919 PolarHBondContact O-N 2.84Å; Q916-D920 WeakPolarHBondContact O-CB 3.2Å; Q916-D920 PolarHBondContact O-N 3.04Å
917E89.8Confident87.2Confident147 Ų147109.9 Ų109.969%0.68750%0.504SS*.Hα-helixtrans-65.2-39.6173.9-171.7168.3-155.700111.6D913 Q914 D920 Q921D913-E917 PolarHBondContact O-N 2.78Å; D913-E917 VanDerWaalsContact O-N 3.17Å; Q914-E917 WeakPolarHBondContact O-CB 3.31Å; Q914-E917 PolarHBondContact O-N 3.46Å; E917-D920 PolarHBondContact O-N 3.35Å; E917-Q921 WeakPolarHBondContact O-CB 3.24Å; E917-Q921 PolarHBondContact O-N 3.2Å
918E89.1Confident86.5Confident126 Ų126108.2 Ų108.259%0.58951%0.506SS*.Hα-helixtrans-64.9-42.2173.3-70.6177.2-177.600112.3Q914 Q921 Y922Q914-E918 PolarHBondContact O-N 2.87Å; E918-Q921 PolarHBondContact O-N 2.88Å; E918-Y922 WeakPolarHBondContact O-CB 3.37Å; E918-Y922 PolarHBondContact O-N 3.4Å
919Y87.4Confident86Confident151 Ų151105.2 Ų105.259%0.59250%0.5SS*.Hα-helixtrans-66.3-41.4175.4-179.2-101.6000112.6L915 Q916 Q921 Y922 R923L915-Y919 WeakPolarHBondContact O-CB 3.45Å; L915-Y919 PolarHBondContact O-N 3.41Å; Q916-Y919 PolarHBondContact O-N 2.84Å; Y919-Q921 VanDerWaalsContact C-N 3.35Å; Y919-Y922 PolarHBondContact O-N 3.29Å; Y919-R923 VanDerWaalsContact O-CB 3.3Å; Y919-R923 WeakPolarHBondContact O-CB 3.43Å; Y919-R923 PolarHBondContact O-N 2.78Å
920D86.4Confident85.4Confident50 Ų50101.8 Ų101.827%0.26749%0.491SS..Hα-helixtrans-66.8-36175.5-94.4-30.3000112Q916 E917 R923 I924Q916-D920 WeakPolarHBondContact O-CB 3.2Å; Q916-D920 PolarHBondContact O-N 3.04Å; E917-D920 PolarHBondContact O-N 3.35Å; D920-R923 PolarHBondContact O-N 3.03Å; D920-R923 IonicContact OD1-CZ 2.77Å; D920-R923 IonicContact OD1-NE 2.68Å; D920-R923 PolarHBondContact OD1-NE 2.87Å; D920-R923 IonicContact OD1-NH2 3.02Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; D920-I924 WeakPolarHBondContact O-CD1 3.18Å; D920-I924 VanDerWaalsContact O-CG1 3.27Å; D920-I924 WeakPolarHBondContact O-CG1 3.3Å; D920-I924 PolarHBondContact O-N 3.22Å
921Q86.9Confident84.8Confident97 Ų9799.4 Ų99.445%0.45349%0.487SS..Hα-helixtrans-65.2-46.2171.8-176.557.150.800111.5E917 E918 Y919 R923 I924 D925E917-Q921 WeakPolarHBondContact O-CB 3.24Å; E917-Q921 PolarHBondContact O-N 3.2Å; E918-Q921 PolarHBondContact O-N 2.88Å; Y919-Q921 VanDerWaalsContact C-N 3.35Å; Q921-R923 VanDerWaalsContact C-N 3.26Å; Q921-R923 PolarHBondContact O-N 3.03Å; Q921-I924 PolarHBondContact O-N 3.06Å; Q921-I924 VanDerWaalsContact O-N 3.1Å; Q921-D925 PolarHBondContact NE2-OD1 3.27Å; Q921-D925 PolarHBondContact NE2-OD2 2.9Å; Q921-D925 PolarHBondContact O-N 3.43Å
922Y83.1Confident84.4Confident151 Ų151103.2 Ų103.259%0.59250%0.501SS*.Hα-helixtrans-57.9-39.2174.2-179.6-92.9000112.1E918 Y919 D925 N926E918-Y922 WeakPolarHBondContact O-CB 3.37Å; E918-Y922 PolarHBondContact O-N 3.4Å; Y919-Y922 PolarHBondContact O-N 3.29Å; Y922-D925 PolarHBondContact O-N 3.35Å; Y922-N926 WeakPolarHBondContact CD2-ND2 3.26Å; Y922-N926 VanDerWaalsContact CE2-ND2 3.33Å; Y922-N926 WeakPolarHBondContact CE2-ND2 3.12Å; Y922-N926 WeakPolarHBondContact O-CB 3.47Å; Y922-N926 PolarHBondContact O-N 2.97Å; Y922-N926 PolarHBondContact O-ND2 3.35Å
923R82.9Confident84.1Confident152 Ų152106.4 Ų106.457%0.57451%0.506SS*.Hα-helixtrans-67.7-32.1176.3-174.1171.170.9109.9-4.9113.2Y919 D920 Q921 D927Y919-R923 VanDerWaalsContact O-CB 3.3Å; Y919-R923 WeakPolarHBondContact O-CB 3.43Å; Y919-R923 PolarHBondContact O-N 2.78Å; D920-R923 PolarHBondContact O-N 3.03Å; D920-R923 IonicContact OD1-CZ 2.77Å; D920-R923 IonicContact OD1-NE 2.68Å; D920-R923 PolarHBondContact OD1-NE 2.87Å; D920-R923 IonicContact OD1-NH2 3.02Å; D920-R923 PolarHBondContact OD1-NH2 2.9Å; Q921-R923 VanDerWaalsContact C-N 3.26Å; Q921-R923 PolarHBondContact O-N 3.03Å; R923-D927 PolarHBondContact O-N 3.44Å
924I79.2Confident83.7Confident107 Ų107107.9 Ų107.955%0.54951%0.51SS..Hα-helixtrans-72.6-46.4173.6-72.1163.1000110.7D920 Q921 N926 D927D920-I924 WeakPolarHBondContact O-CD1 3.18Å; D920-I924 VanDerWaalsContact O-CG1 3.27Å; D920-I924 WeakPolarHBondContact O-CG1 3.3Å; D920-I924 PolarHBondContact O-N 3.22Å; Q921-I924 PolarHBondContact O-N 3.06Å; Q921-I924 VanDerWaalsContact O-N 3.1Å; I924-N926 VanDerWaalsContact C-N 3.28Å; I924-N926 PolarHBondContact O-N 2.86Å; I924-D927 WeakPolarHBondContact O-CB 3.48Å; I924-D927 PolarHBondContact O-N 3.44Å
925D79Confident83.3Confident106 Ų106107.4 Ų107.457%0.56751%0.511SS*.Hα-helixtrans-68.4-28.1-177.9-69.4-32.5000112.6Q921 Y922Q921-D925 PolarHBondContact NE2-OD1 3.27Å; Q921-D925 PolarHBondContact NE2-OD2 2.9Å; Q921-D925 PolarHBondContact O-N 3.43Å; Y922-D925 PolarHBondContact O-N 3.35Å
926N78.5Confident83.1Confident66 Ų66105 Ų10535%0.35350%0.501SS..THydrogen-bonded Turntrans-98.918.4175.1-66.2-85.1000114.1Y922 I924 P928Y922-N926 WeakPolarHBondContact CD2-ND2 3.26Å; Y922-N926 VanDerWaalsContact CE2-ND2 3.33Å; Y922-N926 WeakPolarHBondContact CE2-ND2 3.12Å; Y922-N926 WeakPolarHBondContact O-CB 3.47Å; Y922-N926 PolarHBondContact O-N 2.97Å; Y922-N926 PolarHBondContact O-ND2 3.35Å; I924-N926 VanDerWaalsContact C-N 3.28Å; I924-N926 PolarHBondContact O-N 2.86Å; N926-P928 WeakPolarHBondContact O-CD 3.23Å; N926-P928 VanDerWaalsContact O-N 3.13Å
927D81.6Confident83Confident50 Ų50106.2 Ų106.227%0.26751%0.506SS..  trans-51.9119.1179.5165.233.5000111.4R923 I924 L929 S930 M931R923-D927 PolarHBondContact O-N 3.44Å; I924-D927 WeakPolarHBondContact O-CB 3.48Å; I924-D927 PolarHBondContact O-N 3.44Å; D927-L929 PolarHBondContact O-N 3.32Å; D927-L929 WeakPolarHBondContact OD1-CB 3.24Å; D927-L929 PolarHBondContact OD1-N 2.72Å; D927-S930 WeakPolarHBondContact O-CB 3.15Å; D927-S930 PolarHBondContact O-N 2.7Å; D927-S930 VanDerWaalsContact O-N 3.1Å; D927-S930 WeakPolarHBondContact OD2-CB 3.35Å; D927-S930 PolarHBondContact OD2-N 2.81Å; D927-M931 PolarHBondContact O-N 2.95Å
928P76.5Confident83.1Confident92 Ų92105.1 Ų105.160%0.59750%0.499SS*.Hα-helixtrans-62.2-27-179.225-34.4000112.5N926 Q932N926-P928 WeakPolarHBondContact O-CD 3.23Å; N926-P928 VanDerWaalsContact O-N 3.13Å; P928-Q932 WeakPolarHBondContact O-CB 3.23Å; P928-Q932 PolarHBondContact O-N 3.43Å
929L79.9Confident83.1Confident101 Ų101104.5 Ų104.553%0.52950%0.496SS..Hα-helixtrans-74.1-37.2175.7-63174.4000111.9D927 R933D927-L929 PolarHBondContact O-N 3.32Å; D927-L929 WeakPolarHBondContact OD1-CB 3.24Å; D927-L929 PolarHBondContact OD1-N 2.72Å; L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 2.83Å
930S79.3Confident83.3Confident46 Ų46104 Ų10432%0.32250%0.499SS..Hα-helixtrans-62.6-49.3171.1-174.60000111.2D927 Q932 R933 Q934D927-S930 WeakPolarHBondContact O-CB 3.15Å; D927-S930 PolarHBondContact O-N 2.7Å; D927-S930 VanDerWaalsContact O-N 3.1Å; D927-S930 WeakPolarHBondContact OD2-CB 3.35Å; D927-S930 PolarHBondContact OD2-N 2.81Å; S930-Q932 PolarHBondContact O-N 3.31Å; S930-R933 PolarHBondContact O-N 3.38Å; S930-Q934 PolarHBondContact O-N 2.93Å; S930-Q934 VanDerWaalsContact O-N 3.12Å
931M77.6Confident83.5Confident96 Ų96108.4 Ų108.447%0.47352%0.516SS..Hα-helixtrans-62.1-42.7174.6-74.7-148-73.200112.3D927 R933 Q934 L935D927-M931 PolarHBondContact O-N 2.95Å; M931-R933 VanDerWaalsContact C-N 3.34Å; M931-R933 PolarHBondContact O-N 2.89Å; M931-Q934 PolarHBondContact O-N 3.09Å; M931-L935 WeakPolarHBondContact O-CG 3.18Å; M931-L935 PolarHBondContact O-N 3.31Å
932Q81.4Confident83.6Confident119 Ų119107.9 Ų107.956%0.55652%0.52SS*.Hα-helixtrans-63.8-38.2178.2-171172.926.200111.8P928 S930 L935 T936P928-Q932 WeakPolarHBondContact O-CB 3.23Å; P928-Q932 PolarHBondContact O-N 3.43Å; S930-Q932 PolarHBondContact O-N 3.31Å; Q932-L935 PolarHBondContact O-N 3.24Å; Q932-T936 WeakPolarHBondContact O-CG2 3.35Å; Q932-T936 PolarHBondContact O-N 3.1Å; Q932-T936 PolarHBondContact O-OG1 2.83Å
933R83.8Confident83.9Confident176 Ų176105 Ų10566%0.66451%0.514SS*.Hα-helixtrans-60.6-47.9172-74.8-179.7-148.5171.711.6111.8L929 S930 M931 L935 T936 E937L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 2.83Å; S930-R933 PolarHBondContact O-N 3.38Å; M931-R933 VanDerWaalsContact C-N 3.34Å; M931-R933 PolarHBondContact O-N 2.89Å; R933-L935 VanDerWaalsContact C-N 3.27Å; R933-L935 PolarHBondContact O-N 3.14Å; R933-T936 WeakPolarHBondContact CA-OG1 3.39Å; R933-T936 PolarHBondContact O-N 3.31Å; R933-T936 PolarHBondContact O-OG1 2.99Å; R933-E937 PolarHBondContact O-N 3.31Å
934Q82.6Confident84.2Confident100 Ų100103 Ų10347%0.46752%0.515SS..Hα-helixtrans-62.2-34.3177.3-68.3-175.545.300112.7S930 M931 K938S930-Q934 PolarHBondContact O-N 2.93Å; S930-Q934 VanDerWaalsContact O-N 3.12Å; M931-Q934 PolarHBondContact O-N 3.09Å; Q934-K938 WeakPolarHBondContact O-CB 3.33Å; Q934-K938 WeakPolarHBondContact O-CD 3.48Å; Q934-K938 VanDerWaalsContact O-CG 3.23Å; Q934-K938 WeakPolarHBondContact O-CG 3.26Å; Q934-K938 PolarHBondContact O-N 3.13Å; Q934-K938 VanDerWaalsContact O-N 3.11Å
935L83.7Confident84.7Confident101 Ų101102.6 Ų102.653%0.52951%0.513SS..Hα-helixtrans-67-48.4171.9-72.6170.9000110.9M931 Q932 R933 E937 K938 E939M931-L935 WeakPolarHBondContact O-CG 3.18Å; M931-L935 PolarHBondContact O-N 3.31Å; Q932-L935 PolarHBondContact O-N 3.24Å; R933-L935 VanDerWaalsContact C-N 3.27Å; R933-L935 PolarHBondContact O-N 3.14Å; L935-E937 VanDerWaalsContact C-N 3.34Å; L935-E937 PolarHBondContact O-N 3.12Å; L935-K938 CarbonylContact O-C 3.58Å; L935-K938 WeakPolarHBondContact O-CB 3.44Å; L935-K938 PolarHBondContact O-N 2.92Å; L935-K938 VanDerWaalsContact O-N 3.12Å; L935-E939 WeakPolarHBondContact O-CG 3.47Å; L935-E939 PolarHBondContact O-N 3.23Å
936T85.7Confident85.2Confident62 Ų62100.7 Ų100.738%0.3850%0.501SS..Hα-helixtrans-62.5-36.5177.654.10000113Q932 R933 E939 E940Q932-T936 WeakPolarHBondContact O-CG2 3.35Å; Q932-T936 PolarHBondContact O-N 3.1Å; Q932-T936 PolarHBondContact O-OG1 2.83Å; R933-T936 WeakPolarHBondContact CA-OG1 3.39Å; R933-T936 PolarHBondContact O-N 3.31Å; R933-T936 PolarHBondContact O-OG1 2.99Å; T936-E939 PolarHBondContact O-N 3.01Å; T936-E940 WeakPolarHBondContact O-CB 3.4Å; T936-E940 WeakPolarHBondContact O-CG 3.24Å; T936-E940 PolarHBondContact O-N 2.83Å
937E89.5Confident85.8Confident134 Ų134104.2 Ų104.263%0.62651%0.513SS*.Hα-helixtrans-66.7-39.3174.2-170.7-174.8169.900111.4R933 L935 K941R933-E937 PolarHBondContact O-N 3.31Å; L935-E937 VanDerWaalsContact C-N 3.34Å; L935-E937 PolarHBondContact O-N 3.12Å; E937-K941 VanDerWaalsContact O-CB 3.28Å; E937-K941 WeakPolarHBondContact O-CB 3.44Å; E937-K941 PolarHBondContact O-N 3.05Å
938K90.5Very high86.2Confident124 Ų124106.6 Ų106.654%0.53952%0.522SS..Hα-helixtrans-65.9-39.9172.5-74.1167.5-174.9167.10111.5Q934 L935 K941 V942Q934-K938 WeakPolarHBondContact O-CB 3.33Å; Q934-K938 WeakPolarHBondContact O-CD 3.48Å; Q934-K938 VanDerWaalsContact O-CG 3.23Å; Q934-K938 WeakPolarHBondContact O-CG 3.26Å; Q934-K938 PolarHBondContact O-N 3.13Å; Q934-K938 VanDerWaalsContact O-N 3.11Å; L935-K938 CarbonylContact O-C 3.58Å; L935-K938 WeakPolarHBondContact O-CB 3.44Å; L935-K938 PolarHBondContact O-N 2.92Å; L935-K938 VanDerWaalsContact O-N 3.12Å; K938-K941 PolarHBondContact O-N 3.49Å; K938-V942 WeakPolarHBondContact O-CB 3.26Å; K938-V942 VanDerWaalsContact O-CG2 3.27Å; K938-V942 WeakPolarHBondContact O-CG2 3.49Å; K938-V942 PolarHBondContact O-N 3.33Å
939E90.4Very high86.8Confident113 Ų113106.6 Ų106.653%0.52851%0.513SS..Hα-helixtrans-65.9-43.4175.2-73.7177164.300111.8L935 T936 K941 V942 N943L935-E939 WeakPolarHBondContact O-CG 3.47Å; L935-E939 PolarHBondContact O-N 3.23Å; T936-E939 PolarHBondContact O-N 3.01Å; E939-K941 VanDerWaalsContact C-N 3.31Å; E939-K941 PolarHBondContact O-N 3.43Å; E939-V942 PolarHBondContact O-N 2.96Å; E939-N943 VanDerWaalsContact O-CB 3.29Å; E939-N943 WeakPolarHBondContact O-CB 3.24Å; E939-N943 PolarHBondContact O-N 3.44Å; E939-N943 PolarHBondContact O-ND2 3.09Å
940E90Very high87.3Confident140 Ų140107.1 Ų107.165%0.65451%0.513SS*.Hα-helixtrans-60.6-41.9173.6-77.3-170.716900111.3T936 N943 L944T936-E940 WeakPolarHBondContact O-CB 3.4Å; T936-E940 WeakPolarHBondContact O-CG 3.24Å; T936-E940 PolarHBondContact O-N 2.83Å; E940-N943 PolarHBondContact O-N 2.99Å; E940-L944 PolarHBondContact O-N 2.73Å
941K91.6Very high87.8Confident144 Ų144111.1 Ų111.163%0.62653%0.526SS*.Hα-helixtrans-67.3-40.7176.9-165.7169.9-172170.20112.5E937 K938 E939 L944 L945E937-K941 VanDerWaalsContact O-CB 3.28Å; E937-K941 WeakPolarHBondContact O-CB 3.44Å; E937-K941 PolarHBondContact O-N 3.05Å; K938-K941 PolarHBondContact O-N 3.49Å; E939-K941 VanDerWaalsContact C-N 3.31Å; E939-K941 PolarHBondContact O-N 3.43Å; K941-L944 WeakPolarHBondContact O-CB 3.46Å; K941-L944 PolarHBondContact O-N 2.88Å; K941-L945 WeakPolarHBondContact O-CG 3.4Å; K941-L945 PolarHBondContact O-N 3.47Å
942V89.5Confident88.3Confident86 Ų86115.3 Ų115.352%0.52154%0.537SS..Hα-helixtrans-63.1-43.3171166.30000110.6K938 E939 L944 L945 E946K938-V942 WeakPolarHBondContact O-CB 3.26Å; K938-V942 VanDerWaalsContact O-CG2 3.27Å; K938-V942 WeakPolarHBondContact O-CG2 3.49Å; K938-V942 PolarHBondContact O-N 3.33Å; E939-V942 PolarHBondContact O-N 2.96Å; V942-L944 VanDerWaalsContact C-N 3.28Å; V942-L944 PolarHBondContact O-N 2.91Å; V942-L945 PolarHBondContact O-N 3.41Å; V942-E946 VanDerWaalsContact O-CB 3.31Å; V942-E946 WeakPolarHBondContact O-CB 3.29Å; V942-E946 PolarHBondContact O-N 2.95Å
943N88.8Confident88.8Confident89 Ų89116.9 Ų116.948%0.47654%0.538SS..Hα-helixtrans-64-29.3175.6-81.8-63.9000113E939 E940 K947E939-N943 VanDerWaalsContact O-CB 3.29Å; E939-N943 WeakPolarHBondContact O-CB 3.24Å; E939-N943 PolarHBondContact O-N 3.44Å; E939-N943 PolarHBondContact O-ND2 3.09Å; E940-N943 PolarHBondContact O-N 2.99Å; N943-K947 WeakPolarHBondContact O-CD 3.43Å; N943-K947 VanDerWaalsContact O-CG 3.25Å; N943-K947 WeakPolarHBondContact O-CG 3.47Å; N943-K947 PolarHBondContact O-N 3.45Å
944L89.9Confident88.9Confident111 Ų111114.2 Ų114.258%0.58153%0.534SS*.Hα-helixtrans-68.7-50.1170.5-124.485.5000111.1E940 K941 V942 E946 K947 E948E940-L944 PolarHBondContact O-N 2.73Å; K941-L944 WeakPolarHBondContact O-CB 3.46Å; K941-L944 PolarHBondContact O-N 2.88Å; V942-L944 VanDerWaalsContact C-N 3.28Å; V942-L944 PolarHBondContact O-N 2.91Å; L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 3.14Å; L944-K947 WeakPolarHBondContact O-CB 3.42Å; L944-K947 PolarHBondContact O-N 2.81Å; L944-K947 VanDerWaalsContact O-N 3.13Å; L944-E948 PolarHBondContact O-N 2.83Å
945L89.8Confident89.3Confident99 Ų99113.5 Ų113.552%0.51853%0.531SS..Hα-helixtrans-63.8-33.8178.6-68.1168.5000112.1K941 V942 E948 K949K941-L945 WeakPolarHBondContact O-CG 3.4Å; K941-L945 PolarHBondContact O-N 3.47Å; V942-L945 PolarHBondContact O-N 3.41Å; L945-E948 PolarHBondContact O-N 3.3Å; L945-K949 WeakPolarHBondContact O-CB 3.39Å; L945-K949 PolarHBondContact O-N 3.22Å
946E89.1Confident89.5Confident66 Ų66113.7 Ų113.731%0.30853%0.532SS..Hα-helixtrans-67.9-35.6174.6-163.764.5-13300111.4V942 L944 K949 Q950V942-E946 VanDerWaalsContact O-CB 3.31Å; V942-E946 WeakPolarHBondContact O-CB 3.29Å; V942-E946 PolarHBondContact O-N 2.95Å; L944-E946 VanDerWaalsContact C-N 3.29Å; L944-E946 PolarHBondContact O-N 3.14Å; E946-K949 WeakPolarHBondContact OE1-CD 3.36Å; E946-K949 WeakPolarHBondContact OE1-CE 3.49Å; E946-K949 IonicContact OE1-NZ 3.84Å; E946-K949 PolarHBondContact OE1-NZ 3.49Å; E946-K949 IonicContact OE2-NZ 3.5Å; E946-K949 PolarHBondContact OE2-NZ 3.17Å; E946-Q950 WeakPolarHBondContact O-CG 3.42Å; E946-Q950 PolarHBondContact O-N 2.93Å
947K90.4Very high89.4Confident139 Ų139115.1 Ų115.160%0.60454%0.537SS*.Hα-helixtrans-68.3-45.1172.2-73.1164.1-173.4168.10111.9N943 L944 Q950 Q951N943-K947 WeakPolarHBondContact O-CD 3.43Å; N943-K947 VanDerWaalsContact O-CG 3.25Å; N943-K947 WeakPolarHBondContact O-CG 3.47Å; N943-K947 PolarHBondContact O-N 3.45Å; L944-K947 WeakPolarHBondContact O-CB 3.42Å; L944-K947 PolarHBondContact O-N 2.81Å; L944-K947 VanDerWaalsContact O-N 3.13Å; K947-Q950 PolarHBondContact O-N 3.42Å; K947-Q951 PolarHBondContact O-N 2.88Å
948E89.4Confident89.1Confident101 Ų101112.6 Ų112.647%0.47253%0.527SS..Hα-helixtrans-60.5-45.6173.7-70.2-170.1146.900111L944 L945 Q950 Q951 W952L944-E948 PolarHBondContact O-N 2.83Å; L945-E948 PolarHBondContact O-N 3.3Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 3.41Å; E948-Q951 WeakPolarHBondContact O-CB 3.26Å; E948-Q951 PolarHBondContact O-N 2.95Å; E948-Q951 VanDerWaalsContact O-N 3.1Å; E948-W952 PolarHBondContact O-N 2.9Å
949K90.9Very high88.8Confident92 Ų92110.9 Ų110.940%0.452%0.521SS..Hα-helixtrans-57.2-37.4173.9171.1-177.7165-159.10112.7L945 E946 R953L945-K949 WeakPolarHBondContact O-CB 3.39Å; L945-K949 PolarHBondContact O-N 3.22Å; E946-K949 WeakPolarHBondContact OE1-CD 3.36Å; E946-K949 WeakPolarHBondContact OE1-CE 3.49Å; E946-K949 IonicContact OE1-NZ 3.84Å; E946-K949 PolarHBondContact OE1-NZ 3.49Å; E946-K949 IonicContact OE2-NZ 3.5Å; E946-K949 PolarHBondContact OE2-NZ 3.17Å; K949-R953 WeakPolarHBondContact O-CD 3.38Å; K949-R953 VanDerWaalsContact O-CG 3.25Å; K949-R953 WeakPolarHBondContact O-CG 3.4Å; K949-R953 PolarHBondContact O-N 2.9Å; K949-R953 VanDerWaalsContact O-N 3.11Å
950Q89.3Confident88.3Confident112 Ų112108.9 Ų108.952%0.52351%0.514SS..Hα-helixtrans-72.8-38.5172.5-75-174.623.500112.7E946 K947 E948 R953 M954E946-Q950 WeakPolarHBondContact O-CG 3.42Å; E946-Q950 PolarHBondContact O-N 2.93Å; K947-Q950 PolarHBondContact O-N 3.42Å; E948-Q950 VanDerWaalsContact C-N 3.29Å; E948-Q950 PolarHBondContact O-N 3.41Å; Q950-R953 WeakPolarHBondContact O-CB 3.47Å; Q950-R953 PolarHBondContact O-N 3.11Å; Q950-M954 WeakPolarHBondContact O-CG 3.37Å; Q950-M954 PolarHBondContact O-N 2.95Å
951Q89.4Confident87.9Confident130 Ų130105.7 Ų105.761%0.60750%0.504SS*.Hα-helixtrans-61.7-43.9173.2-179179.7-16.700111.8K947 E948 R953 M954 E955K947-Q951 PolarHBondContact O-N 2.88Å; E948-Q951 WeakPolarHBondContact O-CB 3.26Å; E948-Q951 PolarHBondContact O-N 2.95Å; E948-Q951 VanDerWaalsContact O-N 3.1Å; Q951-R953 VanDerWaalsContact C-N 3.32Å; Q951-R953 PolarHBondContact O-N 3.42Å; Q951-M954 PolarHBondContact O-N 2.89Å; Q951-E955 PolarHBondContact O-N 3.47Å
952W89.7Confident87.2Confident183 Ų183104.1 Ų104.169%0.69350%0.497SS*.Hα-helixtrans-64.8-33.7174.8-72.1118.3000112.7E948 L956E948-W952 PolarHBondContact O-N 2.9Å; W952-L956 WeakPolarHBondContact O-CB 3.19Å; W952-L956 PolarHBondContact O-N 2.9Å
953R90.7Very high86.4Confident153 Ų153105.2 Ų105.258%0.57750%0.5SS*.Hα-helixtrans-66.2-45.4171.1-76.6166175.2-96.9-1112K949 Q950 Q951 E955 L956 D957K949-R953 WeakPolarHBondContact O-CD 3.38Å; K949-R953 VanDerWaalsContact O-CG 3.25Å; K949-R953 WeakPolarHBondContact O-CG 3.4Å; K949-R953 PolarHBondContact O-N 2.9Å; K949-R953 VanDerWaalsContact O-N 3.11Å; Q950-R953 WeakPolarHBondContact O-CB 3.47Å; Q950-R953 PolarHBondContact O-N 3.11Å; Q951-R953 VanDerWaalsContact C-N 3.32Å; Q951-R953 PolarHBondContact O-N 3.42Å; R953-E955 VanDerWaalsContact C-N 3.34Å; R953-E955 PolarHBondContact O-N 2.82Å; R953-L956 PolarHBondContact O-N 3.3Å; R953-D957 WeakPolarHBondContact O-CB 3.13Å; R953-D957 PolarHBondContact O-N 3.46Å
954M87Confident85.3Confident120 Ų120106.6 Ų106.659%0.59150%0.503SS*.Hα-helixtrans-59.2-43.1175-75.8167.342.600112.3Q950 Q951 D957 I958Q950-M954 WeakPolarHBondContact O-CG 3.37Å; Q950-M954 PolarHBondContact O-N 2.95Å; Q951-M954 PolarHBondContact O-N 2.89Å; M954-D957 PolarHBondContact O-N 2.86Å; M954-I958 WeakPolarHBondContact O-CB 3.37Å; M954-I958 VanDerWaalsContact O-CG1 3.26Å; M954-I958 WeakPolarHBondContact O-CG1 3.4Å; M954-I958 PolarHBondContact O-N 3.02Å
955E89.2Confident84.2Confident84 Ų84107.3 Ų107.339%0.39351%0.508SS..Hα-helixtrans-64.9-43.9175.8-174.957.7-138.700110.9Q951 R953 D957 I958 Q959Q951-E955 PolarHBondContact O-N 3.47Å; R953-E955 VanDerWaalsContact C-N 3.34Å; R953-E955 PolarHBondContact O-N 2.82Å; E955-D957 VanDerWaalsContact C-N 3.33Å; E955-D957 PolarHBondContact O-N 2.75Å; E955-I958 WeakPolarHBondContact O-CB 3.42Å; E955-I958 PolarHBondContact O-N 2.92Å; E955-Q959 WeakPolarHBondContact O-CG 3.49Å; E955-Q959 PolarHBondContact O-N 2.92Å; E955-Q959 PolarHBondContact OE1-NE2 2.9Å
956L87.8Confident82.8Confident106 Ų106106.7 Ų106.756%0.55552%0.517SS*.Hα-helixtrans-59.9-40.9174.9-173.969.4000112.3W952 R953 Q959 N960W952-L956 WeakPolarHBondContact O-CB 3.19Å; W952-L956 PolarHBondContact O-N 2.9Å; R953-L956 PolarHBondContact O-N 3.3Å; L956-Q959 CarbonylContact O-C 3.58Å; L956-Q959 PolarHBondContact O-N 3.49Å; L956-N960 PolarHBondContact O-N 2.83Å
957D85Confident81.5Confident92 Ų92107.5 Ų107.549%0.49253%0.526SS..Hα-helixtrans-68.2-36.6176.5-73.6-26.8000111.8R953 M954 E955 Q959 N960 V961R953-D957 WeakPolarHBondContact O-CB 3.13Å; R953-D957 PolarHBondContact O-N 3.46Å; M954-D957 PolarHBondContact O-N 2.86Å; E955-D957 VanDerWaalsContact C-N 3.33Å; E955-D957 PolarHBondContact O-N 2.75Å; D957-Q959 VanDerWaalsContact C-N 3.32Å; D957-Q959 PolarHBondContact O-N 3.46Å; D957-N960 PolarHBondContact O-N 2.95Å; D957-V961 WeakPolarHBondContact O-CG2 3.48Å; D957-V961 PolarHBondContact O-N 3.12Å
958I83.8Confident79.8Confident81 Ų81105.9 Ų105.942%0.41553%0.532SS..Hα-helixtrans-62-39.6170.6-73.7165.3000111M954 E955 K962M954-I958 WeakPolarHBondContact O-CB 3.37Å; M954-I958 VanDerWaalsContact O-CG1 3.26Å; M954-I958 WeakPolarHBondContact O-CG1 3.4Å; M954-I958 PolarHBondContact O-N 3.02Å; E955-I958 WeakPolarHBondContact O-CB 3.42Å; E955-I958 PolarHBondContact O-N 2.92Å; I958-K962 HydrophobicContact CG2-CD 4.44Å; I958-K962 VanDerWaalsContact CG2-CE 3.46Å; I958-K962 VanDerWaalsContact O-CG 3.28Å; I958-K962 WeakPolarHBondContact O-CG 3.39Å; I958-K962 PolarHBondContact O-N 3.36Å; I958-K962 VanDerWaalsContact O-N 3.07Å
959Q82.8Confident78.2Confident88 Ų88108.5 Ų108.541%0.41155%0.549SS..Hα-helixtrans-70-37.4173.9-58-60.1-23.900112E955 L956 D957 K962 L963E955-Q959 WeakPolarHBondContact O-CG 3.49Å; E955-Q959 PolarHBondContact O-N 2.92Å; E955-Q959 PolarHBondContact OE1-NE2 2.9Å; L956-Q959 CarbonylContact O-C 3.58Å; L956-Q959 PolarHBondContact O-N 3.49Å; D957-Q959 VanDerWaalsContact C-N 3.32Å; D957-Q959 PolarHBondContact O-N 3.46Å; Q959-K962 PolarHBondContact O-N 3.5Å; Q959-L963 WeakPolarHBondContact O-CB 3.26Å; Q959-L963 PolarHBondContact O-N 3.43Å
960N81Confident76.5Confident70 Ų70109.6 Ų109.637%0.37456%0.558SS.*Hα-helixtrans-63.5-39172.4-84.2-33.5000112.5L956 D957 L963 Q964L956-N960 PolarHBondContact O-N 2.83Å; D957-N960 PolarHBondContact O-N 2.95Å; N960-L963 CarbonylContact O-C 3.56Å; N960-L963 WeakPolarHBondContact O-CB 3.36Å; N960-L963 PolarHBondContact O-N 2.97Å; N960-Q964 WeakPolarHBondContact O-CB 3.2Å; N960-Q964 WeakPolarHBondContact O-CG 3.42Å; N960-Q964 PolarHBondContact O-N 3.2Å
961V80.7Confident75.1Confident74 Ų74112.1 Ų112.145%0.44857%0.57SS.*Hα-helixtrans-69.8-37.1176.2170.50000111.2D957 L963 Q964 N965D957-V961 WeakPolarHBondContact O-CG2 3.48Å; D957-V961 PolarHBondContact O-N 3.12Å; V961-L963 VanDerWaalsContact C-N 3.29Å; V961-L963 PolarHBondContact O-N 3.07Å; V961-Q964 PolarHBondContact O-N 3.43Å; V961-N965 WeakPolarHBondContact O-CB 3.36Å; V961-N965 PolarHBondContact O-N 2.97Å; V961-N965 PolarHBondContact O-ND2 3.42Å
962K77.4Confident73.8Confident110 Ų110112.8 Ų112.848%0.47858%0.578SS.*Hα-helixtrans-60.4-39.6169.1-69.3165.7-165.5166.10111.4I958 Q959 A966I958-K962 HydrophobicContact CG2-CD 4.44Å; I958-K962 VanDerWaalsContact CG2-CE 3.46Å; I958-K962 VanDerWaalsContact O-CG 3.28Å; I958-K962 WeakPolarHBondContact O-CG 3.39Å; I958-K962 PolarHBondContact O-N 3.36Å; I958-K962 VanDerWaalsContact O-N 3.07Å; Q959-K962 PolarHBondContact O-N 3.5Å; K962-A966 PolarHBondContact O-N 2.84Å
963L72.2Confident72.7Confident110 Ų110107.2 Ų107.258%0.57656%0.564SS**Hα-helixtrans-66.8-47.6175.5-16478.5000111.7Q959 N960 V961 N965 A966 T967Q959-L963 WeakPolarHBondContact O-CB 3.26Å; Q959-L963 PolarHBondContact O-N 3.43Å; N960-L963 CarbonylContact O-C 3.56Å; N960-L963 WeakPolarHBondContact O-CB 3.36Å; N960-L963 PolarHBondContact O-N 2.97Å; V961-L963 VanDerWaalsContact C-N 3.29Å; V961-L963 PolarHBondContact O-N 3.07Å; L963-N965 PolarHBondContact O-N 3.24Å; L963-A966 WeakPolarHBondContact O-CA 3.46Å; L963-A966 WeakPolarHBondContact O-CB 3.39Å; L963-A966 PolarHBondContact O-N 3.19Å; L963-T967 PolarHBondContact O-N 2.91Å; L963-T967 PolarHBondContact O-OG1 2.93Å
964Q66.6Low71.6Confident118 Ų118104.1 Ų104.155%0.55156%0.557SS**Hα-helixtrans-62.5-39.9-179.6-77.8-175-49.800112.6N960 V961 A966 T967N960-Q964 WeakPolarHBondContact O-CB 3.2Å; N960-Q964 WeakPolarHBondContact O-CG 3.42Å; N960-Q964 PolarHBondContact O-N 3.2Å; V961-Q964 PolarHBondContact O-N 3.43Å; Q964-A966 PolarHBondContact O-N 3.36Å; Q964-T967 WeakPolarHBondContact CA-OG1 3.45Å; Q964-T967 PolarHBondContact O-N 3.32Å; Q964-T967 PolarHBondContact O-OG1 3.02Å
965N65.4Low70.9Confident126 Ų126103.9 Ų103.967%0.67456%0.557SS**Hα-helixtrans-63-20.2172.9-76.3-27.1000113.2V961 L963V961-N965 WeakPolarHBondContact O-CB 3.36Å; V961-N965 PolarHBondContact O-N 2.97Å; V961-N965 PolarHBondContact O-ND2 3.42Å; L963-N965 PolarHBondContact O-N 3.24Å
966A60.9Low70.4Confident85 Ų85109.2 Ų109.270%0.70257%0.574SS**THydrogen-bonded Turntrans-89.5-6.7173.300000113.6K962 L963 Q964K962-A966 PolarHBondContact O-N 2.84Å; L963-A966 WeakPolarHBondContact O-CA 3.46Å; L963-A966 WeakPolarHBondContact O-CB 3.39Å; L963-A966 PolarHBondContact O-N 3.19Å; Q964-A966 PolarHBondContact O-N 3.36Å
967T60.9Low70Confident83 Ų83109.1 Ų109.151%0.50957%0.573SS.*  trans-122.417.2-171.859.70000115L963 Q964 L969L963-T967 PolarHBondContact O-N 2.91Å; L963-T967 PolarHBondContact O-OG1 2.93Å; Q964-T967 WeakPolarHBondContact CA-OG1 3.45Å; Q964-T967 PolarHBondContact O-N 3.32Å; Q964-T967 PolarHBondContact O-OG1 3.02Å; T967-L969 PolarHBondContact O-N 2.77Å
968S56.1Low69.8Low105 Ų105109.6 Ų109.673%0.73457%0.571SS**THydrogen-bonded Turntrans-74.444.2-173.174.40000115.3
969L54.7Low69.7Low157 Ų157111.8 Ų111.882%0.82258%0.581SS**THydrogen-bonded Turntrans-137.212.5-169.6-137.3125.2000114.3T967T967-L969 PolarHBondContact O-N 2.77Å
970L55.9Low69.9Low114 Ų114112.2 Ų112.260%0.59759%0.585SS**  trans-14147.6-169.4-78.5169000113.4D972 T973 E974L970-D972 PolarHBondContact O-N 3.03Å; L970-T973 HydrophobicContact CB-CG2 4.15Å; L970-T973 HydrophobicContact CD2-CG2 4.2Å; L970-T973 WeakPolarHBondContact O-CB 3.25Å; L970-T973 PolarHBondContact O-N 3.41Å; L970-T973 PolarHBondContact O-OG1 3.43Å; L970-E974 PolarHBondContact O-N 3.31Å
971E60.3Low70.2Confident165 Ų165113.2 Ų113.277%0.77159%0.59SS**Hα-helixtrans-54.7-39-171.1-62.9-178.3123.900114.8T973 E974 L975E971-T973 VanDerWaalsContact C-N 3.28Å; E971-T973 PolarHBondContact O-N 2.81Å; E971-E974 WeakPolarHBondContact O-CA 3.24Å; E971-E974 WeakPolarHBondContact O-CB 3.5Å; E971-E974 PolarHBondContact O-N 2.85Å; E971-L975 PolarHBondContact O-N 2.88Å
972D60.6Low70.5Confident144 Ų144118 Ų11877%0.7760%0.6SS**Hα-helixtrans-63.2-32.1176.4-83.4-24.7000113.1L970 E974L970-D972 PolarHBondContact O-N 3.03Å; D972-E974 PolarHBondContact O-N 3.32Å
973T66.9Low71.1Confident67 Ų67117.8 Ų117.841%0.41160%0.601SS.*Hα-helixtrans-70.5-27.317475.10000111.4L970 E971 R976 L977L970-T973 HydrophobicContact CB-CG2 4.15Å; L970-T973 HydrophobicContact CD2-CG2 4.2Å; L970-T973 WeakPolarHBondContact O-CB 3.25Å; L970-T973 PolarHBondContact O-N 3.41Å; L970-T973 PolarHBondContact O-OG1 3.43Å; E971-T973 VanDerWaalsContact C-N 3.28Å; E971-T973 PolarHBondContact O-N 2.81Å; T973-R976 PolarHBondContact O-N 3.06Å; T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 PolarHBondContact O-N 3.34Å
974E68.5Low72Confident88 Ų88119.9 Ų119.941%0.41160%0.601SS.*Hα-helixtrans-72.1-35.4-177-153.8-160.4-133.500111.9L970 E971 D972 R976 L977 K978L970-E974 PolarHBondContact O-N 3.31Å; E971-E974 WeakPolarHBondContact O-CA 3.24Å; E971-E974 WeakPolarHBondContact O-CB 3.5Å; E971-E974 PolarHBondContact O-N 2.85Å; D972-E974 PolarHBondContact O-N 3.32Å; E974-R976 VanDerWaalsContact C-N 3.35Å; E974-L977 PolarHBondContact O-N 3.03Å; E974-K978 WeakPolarHBondContact O-CB 3.38Å; E974-K978 WeakPolarHBondContact O-CD 3.48Å; E974-K978 VanDerWaalsContact O-CG 3.25Å; E974-K978 WeakPolarHBondContact O-CG 3.37Å; E974-K978 PolarHBondContact O-N 3.1Å; E974-K978 WeakPolarHBondContact OE2-CE 3.22Å; E974-K978 IonicContact OE2-NZ 3.57Å; E974-K978 PolarHBondContact OE2-NZ 3.38Å
975L73Confident73.1Confident114 Ų114117.1 Ų117.160%0.59759%0.593SS**Hα-helixtrans-64.9-38.6170.6-76.9173.6000112E971 K978 M979E971-L975 PolarHBondContact O-N 2.88Å; L975-K978 HydrophobicContact CD2-CD 4.4Å; L975-K978 PolarHBondContact O-N 2.99Å; L975-M979 PolarHBondContact O-N 2.66Å
976R78Confident74.3Confident197 Ų197114.1 Ų114.174%0.74359%0.585SS**Hα-helixtrans-69-37.9175.5-146.6175.9-164.5-148.32.1111.7T973 E974 M979 L980T973-R976 PolarHBondContact O-N 3.06Å; E974-R976 VanDerWaalsContact C-N 3.35Å; R976-M979 WeakPolarHBondContact O-CB 3.35Å; R976-M979 PolarHBondContact O-N 2.9Å; R976-L980 WeakPolarHBondContact O-CG 3.43Å; R976-L980 PolarHBondContact O-N 3.4Å
977L78.6Confident75.7Confident104 Ų104115.2 Ų115.255%0.54558%0.576SS.*Hα-helixtrans-62.4-40.5169.2-83.1162.6000112.3T973 E974 M979 L980 N981T973-L977 WeakPolarHBondContact O-CB 3.46Å; T973-L977 PolarHBondContact O-N 3.34Å; E974-L977 PolarHBondContact O-N 3.03Å; L977-M979 VanDerWaalsContact C-N 3.33Å; L977-M979 PolarHBondContact O-N 3.47Å; L977-L980 PolarHBondContact O-N 3.36Å; L977-N981 VanDerWaalsContact O-CB 3.22Å; L977-N981 WeakPolarHBondContact O-CB 3.29Å; L977-N981 PolarHBondContact O-N 2.93Å
978K81.6Confident77.2Confident101 Ų101115.6 Ų115.644%0.43957%0.573SS.*Hα-helixtrans-64.3-34.8176.4-77160.3175.21680112.5E974 L975 R982E974-K978 WeakPolarHBondContact O-CB 3.38Å; E974-K978 WeakPolarHBondContact O-CD 3.48Å; E974-K978 VanDerWaalsContact O-CG 3.25Å; E974-K978 WeakPolarHBondContact O-CG 3.37Å; E974-K978 PolarHBondContact O-N 3.1Å; E974-K978 WeakPolarHBondContact OE2-CE 3.22Å; E974-K978 IonicContact OE2-NZ 3.57Å; E974-K978 PolarHBondContact OE2-NZ 3.38Å; L975-K978 HydrophobicContact CD2-CD 4.4Å; L975-K978 PolarHBondContact O-N 2.99Å; K978-R982 PolarHBondContact O-N 3.37Å
979M81.9Confident78.9Confident127 Ų127117 Ų11763%0.62657%0.568SS**Hα-helixtrans-64.2-57.3169.2-75.1-79.4-73.300111.2L975 R976 L977 N981 R982 E983L975-M979 PolarHBondContact O-N 2.66Å; R976-M979 WeakPolarHBondContact O-CB 3.35Å; R976-M979 PolarHBondContact O-N 2.9Å; L977-M979 VanDerWaalsContact C-N 3.33Å; L977-M979 PolarHBondContact O-N 3.47Å; M979-N981 PolarHBondContact O-N 2.95Å; M979-R982 WeakPolarHBondContact O-CB 3.35Å; M979-R982 PolarHBondContact O-N 2.98Å; M979-E983 PolarHBondContact O-N 3.25Å; M979-E983 VanDerWaalsContact O-N 3.09Å
980L85.8Confident80.7Confident98 Ų98117.2 Ų117.251%0.51356%0.558SS.*Hα-helixtrans-59.6-31.6-178.9-70.8167.4000112.9R976 L977 R984R976-L980 WeakPolarHBondContact O-CG 3.43Å; R976-L980 PolarHBondContact O-N 3.4Å; L977-L980 PolarHBondContact O-N 3.36Å; L980-R984 VanDerWaalsContact O-CB 3.26Å; L980-R984 WeakPolarHBondContact O-CB 3.39Å; L980-R984 PolarHBondContact O-N 2.94Å
981N87.7Confident82.3Confident90 Ų90117.2 Ų117.248%0.48156%0.556SS.*Hα-helixtrans-74.1-33177.5-16142.7000112.3L977 M979 T985L977-N981 VanDerWaalsContact O-CB 3.22Å; L977-N981 WeakPolarHBondContact O-CB 3.29Å; L977-N981 PolarHBondContact O-N 2.93Å; M979-N981 PolarHBondContact O-N 2.95Å; N981-T985 WeakPolarHBondContact O-CG2 3.33Å; N981-T985 PolarHBondContact O-N 2.92Å; N981-T985 PolarHBondContact O-OG1 3.47Å
982R88.6Confident83.8Confident174 Ų174112.2 Ų112.266%0.65754%0.539SS*.Hα-helixtrans-65.1-46.2170.1-74.3-176.2-177.2118.8-2.9111K978 M979 R984 T985 A986K978-R982 PolarHBondContact O-N 3.37Å; M979-R982 WeakPolarHBondContact O-CB 3.35Å; M979-R982 PolarHBondContact O-N 2.98Å; R982-R984 VanDerWaalsContact C-N 3.34Å; R982-R984 PolarHBondContact O-N 3.2Å; R982-T985 WeakPolarHBondContact CA-OG1 3.46Å; R982-T985 PolarHBondContact O-N 3.43Å; R982-T985 VanDerWaalsContact O-N 3.12Å; R982-T985 PolarHBondContact O-OG1 3.4Å; R982-A986 PolarHBondContact O-N 3.34Å
983E88.6Confident85.2Confident106 Ų106110.1 Ų110.150%0.49553%0.525SS..Hα-helixtrans-59.1-46176.2-167.7179.3172.800111.1M979 T985 A986 Q987M979-E983 PolarHBondContact O-N 3.25Å; M979-E983 VanDerWaalsContact O-N 3.09Å; E983-T985 PolarHBondContact O-N 2.85Å; E983-A986 WeakPolarHBondContact O-CB 3.38Å; E983-A986 PolarHBondContact O-N 2.93Å; E983-A986 VanDerWaalsContact O-N 3.16Å; E983-Q987 WeakPolarHBondContact O-CG 3.33Å; E983-Q987 PolarHBondContact O-N 2.88Å
984R90.8Very high86.4Confident154 Ų154111.2 Ų111.258%0.58153%0.527SS*.Hα-helixtrans-56.6-42.8171.5-175.7-175.9-178.9-173.92.9112.6L980 R982 Q987 M988L980-R984 VanDerWaalsContact O-CB 3.26Å; L980-R984 WeakPolarHBondContact O-CB 3.39Å; L980-R984 PolarHBondContact O-N 2.94Å; R982-R984 VanDerWaalsContact C-N 3.34Å; R982-R984 PolarHBondContact O-N 3.2Å; R984-Q987 PolarHBondContact O-N 2.88Å; R984-M988 WeakPolarHBondContact O-CG 3.38Å; R984-M988 PolarHBondContact O-N 3.22Å
985T90.5Very high87.5Confident61 Ų61111.5 Ų111.537%0.37453%0.529SS..Hα-helixtrans-67.4-35.2176.650.50000113.1N981 R982 E983 M988 H989N981-T985 WeakPolarHBondContact O-CG2 3.33Å; N981-T985 PolarHBondContact O-N 2.92Å; N981-T985 PolarHBondContact O-OG1 3.47Å; R982-T985 WeakPolarHBondContact CA-OG1 3.46Å; R982-T985 PolarHBondContact O-N 3.43Å; R982-T985 VanDerWaalsContact O-N 3.12Å; R982-T985 PolarHBondContact O-OG1 3.4Å; E983-T985 PolarHBondContact O-N 2.85Å; T985-M988 HydrophobicContact CG2-CE 3.98Å; T985-M988 PolarHBondContact O-N 3.41Å; T985-H989 PolarHBondContact O-N 3.4Å
986A89.8Confident88.3Confident62 Ų62110.3 Ų110.351%0.51253%0.527SS..Hα-helixtrans-66.9-42.617300000111.4R982 E983 H989 R990R982-A986 PolarHBondContact O-N 3.34Å; E983-A986 WeakPolarHBondContact O-CB 3.38Å; E983-A986 PolarHBondContact O-N 2.93Å; E983-A986 VanDerWaalsContact O-N 3.16Å; A986-H989 PolarHBondContact O-N 2.87Å; A986-R990 PolarHBondContact O-N 2.95Å
987Q91.9Very high89Confident109 Ų109106.2 Ų106.251%0.50952%0.516SS..Hα-helixtrans-62.5-42.5174.1-70.6172.62.900112E983 R984 H989 R990 M991E983-Q987 WeakPolarHBondContact O-CG 3.33Å; E983-Q987 PolarHBondContact O-N 2.88Å; R984-Q987 PolarHBondContact O-N 2.88Å; Q987-H989 PolarHBondContact O-N 2.87Å; Q987-R990 PolarHBondContact O-N 2.84Å; Q987-M991 WeakPolarHBondContact O-CG 3.3Å; Q987-M991 PolarHBondContact O-N 3.43Å
988M91.2Very high89.6Confident91 Ų91106.7 Ų106.745%0.44851%0.51SS..Hα-helixtrans-62.1-41174.1-72.9-169-49.200112.5R984 T985 R990 M991 S992R984-M988 WeakPolarHBondContact O-CG 3.38Å; R984-M988 PolarHBondContact O-N 3.22Å; T985-M988 HydrophobicContact CG2-CE 3.98Å; T985-M988 PolarHBondContact O-N 3.41Å; M988-R990 VanDerWaalsContact C-N 3.34Å; M988-M991 PolarHBondContact O-N 3.2Å; M988-S992 WeakPolarHBondContact O-CB 3.34Å; M988-S992 PolarHBondContact O-N 2.88Å
989H91.2Very high90.1Very high133 Ų133105.1 Ų105.162%0.61651%0.507SS*.Hα-helixtrans-63.3-40.1173-96-65.9000112.2T985 A986 Q987 S992 Q993T985-H989 PolarHBondContact O-N 3.4Å; A986-H989 PolarHBondContact O-N 2.87Å; Q987-H989 PolarHBondContact O-N 2.87Å; H989-S992 PolarHBondContact O-N 3.05Å; H989-Q993 WeakPolarHBondContact O-CG 3.36Å; H989-Q993 PolarHBondContact O-N 3.17Å
990R93.5Very high90.5Very high163 Ų163102.5 Ų102.562%0.61549%0.493SS*.Hα-helixtrans-64.8-40.8175.9-170.767.1179.5-146.82.5112.1A986 Q987 M988 Q993 L994A986-R990 PolarHBondContact O-N 2.95Å; Q987-R990 PolarHBondContact O-N 2.84Å; M988-R990 VanDerWaalsContact C-N 3.34Å; R990-Q993 PolarHBondContact O-N 3.5Å; R990-L994 HydrophobicContact CG-CD1 4.35Å; R990-L994 VanDerWaalsContact O-CG 3.32Å; R990-L994 WeakPolarHBondContact O-CG 3.37Å; R990-L994 PolarHBondContact O-N 2.74Å
991M89.2Confident90.8Very high114 Ų114103.1 Ų103.156%0.56250%0.496SS*.Hα-helixtrans-62.8-46.5173.3-67.8-164.3-46.300111.2Q987 M988 Q993 L994 E995Q987-M991 WeakPolarHBondContact O-CG 3.3Å; Q987-M991 PolarHBondContact O-N 3.43Å; M988-M991 PolarHBondContact O-N 3.2Å; M991-Q993 VanDerWaalsContact C-N 3.29Å; M991-Q993 PolarHBondContact O-N 3.39Å; M991-L994 CarbonylContact O-C 3.6Å; M991-L994 PolarHBondContact O-N 3.39Å; M991-L994 VanDerWaalsContact O-N 3.1Å; M991-E995 WeakPolarHBondContact O-CG 3.33Å; M991-E995 PolarHBondContact O-N 3Å
992S91.4Very high91Very high59 Ų59103.4 Ų103.441%0.41350%0.497SS..Hα-helixtrans-61.8-34.9178.6-179.20000113M988 H989 E995 T996M988-S992 WeakPolarHBondContact O-CB 3.34Å; M988-S992 PolarHBondContact O-N 2.88Å; H989-S992 PolarHBondContact O-N 3.05Å; S992-E995 PolarHBondContact O-N 3.16Å; S992-T996 PolarHBondContact O-N 2.98Å; S992-T996 VanDerWaalsContact O-N 3.09Å; S992-T996 PolarHBondContact O-OG1 3.13Å
993Q91.1Very high91.1Very high100 Ų100102.5 Ų102.547%0.46749%0.493SS..Hα-helixtrans-63.6-49.7170.6-74.7172.9-28.200111.6H989 R990 M991 E995 T996 E997H989-Q993 WeakPolarHBondContact O-CG 3.36Å; H989-Q993 PolarHBondContact O-N 3.17Å; R990-Q993 PolarHBondContact O-N 3.5Å; M991-Q993 VanDerWaalsContact C-N 3.29Å; M991-Q993 PolarHBondContact O-N 3.39Å; Q993-E995 VanDerWaalsContact C-N 3.27Å; Q993-E995 PolarHBondContact O-N 2.62Å; Q993-T996 PolarHBondContact O-N 3.12Å; Q993-T996 VanDerWaalsContact O-N 3.09Å; Q993-T996 PolarHBondContact O-OG1 3.34Å; Q993-E997 WeakPolarHBondContact O-CG 3.41Å; Q993-E997 PolarHBondContact O-N 2.95Å
994L92.1Very high91.2Very high90 Ų90101.9 Ų101.947%0.47149%0.491SS..Hα-helixtrans-62.6-31.3177.3-68.6167.5000112.8R990 M991 R998R990-L994 HydrophobicContact CG-CD1 4.35Å; R990-L994 VanDerWaalsContact O-CG 3.32Å; R990-L994 WeakPolarHBondContact O-CG 3.37Å; R990-L994 PolarHBondContact O-N 2.74Å; M991-L994 CarbonylContact O-C 3.6Å; M991-L994 PolarHBondContact O-N 3.39Å; M991-L994 VanDerWaalsContact O-N 3.1Å; L994-R998 VanDerWaalsContact O-CB 3.28Å; L994-R998 WeakPolarHBondContact O-CB 3.35Å; L994-R998 PolarHBondContact O-N 2.96Å
995E90.5Very high91.1Very high94 Ų9497.1 Ų97.144%0.43948%0.484SS..Hα-helixtrans-66.6-43.7171.5-71.6175.9137.900111.4M991 S992 Q993 R998 D999M991-E995 WeakPolarHBondContact O-CG 3.33Å; M991-E995 PolarHBondContact O-N 3Å; S992-E995 PolarHBondContact O-N 3.16Å; Q993-E995 VanDerWaalsContact C-N 3.27Å; Q993-E995 PolarHBondContact O-N 2.62Å; E995-R998 PolarHBondContact O-N 2.72Å; E995-D999 WeakPolarHBondContact O-CB 3.34Å; E995-D999 VanDerWaalsContact O-CG 3.29Å; E995-D999 PolarHBondContact O-N 2.84Å
996T90.5Very high91.1Very high90 Ų9097.1 Ų97.155%0.55249%0.49SS*.Hα-helixtrans-67.7-34.6174.753.40000113.3S992 Q993 E1000S992-T996 PolarHBondContact O-N 2.98Å; S992-T996 VanDerWaalsContact O-N 3.09Å; S992-T996 PolarHBondContact O-OG1 3.13Å; Q993-T996 PolarHBondContact O-N 3.12Å; Q993-T996 VanDerWaalsContact O-N 3.09Å; Q993-T996 PolarHBondContact O-OG1 3.34Å; T996-E1000 WeakPolarHBondContact O-CB 3.37Å; T996-E1000 PolarHBondContact O-N 2.77Å
997E91.8Very high91Very high110 Ų11098 Ų9851%0.51449%0.49SS..Hα-helixtrans-68.3-41.6174-71.6170.2-167.500111.3Q993 E1000 L1001Q993-E997 WeakPolarHBondContact O-CG 3.41Å; Q993-E997 PolarHBondContact O-N 2.95Å; E997-E1000 PolarHBondContact O-N 3.48Å; E997-L1001 WeakPolarHBondContact O-CG 3.4Å; E997-L1001 PolarHBondContact O-N 2.65Å
998R92.4Very high90.7Very high115 Ų11598.5 Ų98.543%0.43449%0.494SS..Hα-helixtrans-58.2-50.2172178.3-157.468.4-145.1-5.7111.3L994 E995 E1000 L1001 I1002L994-R998 VanDerWaalsContact O-CB 3.28Å; L994-R998 WeakPolarHBondContact O-CB 3.35Å; L994-R998 PolarHBondContact O-N 2.96Å; E995-R998 PolarHBondContact O-N 2.72Å; R998-E1000 VanDerWaalsContact C-N 3.29Å; R998-E1000 PolarHBondContact O-N 3.04Å; R998-L1001 PolarHBondContact O-N 3.3Å; R998-I1002 HydrophobicContact CG-CD1 3.85Å; R998-I1002 HydrophobicContact CG-CG1 4.49Å; R998-I1002 WeakPolarHBondContact O-CG1 3.48Å; R998-I1002 PolarHBondContact O-N 2.93Å
999D92.8Very high90.6Very high67 Ų6798.7 Ų98.736%0.35850%0.501SS..Hα-helixtrans-69.7-30.1-175.1-68.3-16000111.9E995 R1003E995-D999 WeakPolarHBondContact O-CB 3.34Å; E995-D999 VanDerWaalsContact O-CG 3.29Å; E995-D999 PolarHBondContact O-N 2.84Å; D999-R1003 WeakPolarHBondContact O-CG 3.36Å; D999-R1003 PolarHBondContact O-N 3.38Å
1000E89.7Confident90.5Very high72 Ų7294.3 Ų94.334%0.33649%0.492SS..Hα-helixtrans-65.4-46.7168.6-177.353.9-153.800112.2T996 E997 R998 I1002 R1003 Q1004T996-E1000 WeakPolarHBondContact O-CB 3.37Å; T996-E1000 PolarHBondContact O-N 2.77Å; E997-E1000 PolarHBondContact O-N 3.48Å; R998-E1000 VanDerWaalsContact C-N 3.29Å; R998-E1000 PolarHBondContact O-N 3.04Å; E1000-I1002 VanDerWaalsContact C-N 3.31Å; E1000-I1002 PolarHBondContact O-N 3.23Å; E1000-R1003 PolarHBondContact O-N 2.92Å; E1000-R1003 IonicContact OE2-CZ 3.59Å; E1000-R1003 IonicContact OE2-NE 2.68Å; E1000-R1003 PolarHBondContact OE2-NE 2.75Å; E1000-R1003 IonicContact OE2-NH2 3.83Å; E1000-R1003 PolarHBondContact OE2-NH2 3.02Å; E1000-Q1004 WeakPolarHBondContact O-CG 3.49Å; E1000-Q1004 PolarHBondContact O-N 2.96Å; E1000-Q1004 PolarHBondContact OE1-NE2 3.19Å
1001L92Very high90.1Very high112 Ų11295.1 Ų95.159%0.58650%0.495SS*.Hα-helixtrans-62.1-36.6175.5-71.6170000112.5E997 R998 Q1004 A1005E997-L1001 WeakPolarHBondContact O-CG 3.4Å; E997-L1001 PolarHBondContact O-N 2.65Å; R998-L1001 PolarHBondContact O-N 3.3Å; L1001-Q1004 PolarHBondContact O-N 3.3Å; L1001-A1005 WeakPolarHBondContact O-CB 3.42Å; L1001-A1005 PolarHBondContact O-N 3.29Å
1002I91.1Very high89.9Confident96 Ų9691.2 Ų91.249%0.49248%0.48SS..Hα-helixtrans-64.1-43.4174-70.4168.2000110.7R998 E1000 Q1004 A1005 A1006R998-I1002 HydrophobicContact CG-CD1 3.85Å; R998-I1002 HydrophobicContact CG-CG1 4.49Å; R998-I1002 WeakPolarHBondContact O-CG1 3.48Å; R998-I1002 PolarHBondContact O-N 2.93Å; E1000-I1002 VanDerWaalsContact C-N 3.31Å; E1000-I1002 PolarHBondContact O-N 3.23Å; I1002-Q1004 PolarHBondContact O-N 3.36Å; I1002-A1005 PolarHBondContact O-N 2.92Å; I1002-A1006 WeakPolarHBondContact O-CB 3.47Å; I1002-A1006 PolarHBondContact O-N 3.41Å
1003R91Very high89.7Confident155 Ų15590.7 Ų90.759%0.58548%0.48SS*.Hα-helixtrans-62.5-41.6175.3-73.5-171.3-63.1-147.81.2112.1D999 E1000 A1006 T1007D999-R1003 WeakPolarHBondContact O-CG 3.36Å; D999-R1003 PolarHBondContact O-N 3.38Å; E1000-R1003 PolarHBondContact O-N 2.92Å; E1000-R1003 IonicContact OE2-CZ 3.59Å; E1000-R1003 IonicContact OE2-NE 2.68Å; E1000-R1003 PolarHBondContact OE2-NE 2.75Å; E1000-R1003 IonicContact OE2-NH2 3.83Å; E1000-R1003 PolarHBondContact OE2-NH2 3.02Å; R1003-A1006 PolarHBondContact O-N 2.89Å; R1003-T1007 WeakPolarHBondContact O-CB 3.27Å; R1003-T1007 PolarHBondContact O-N 2.89Å; R1003-T1007 PolarHBondContact O-OG1 3.05Å
1004Q90.5Very high89.5Confident93 Ų9388.5 Ų88.544%0.43548%0.478SS..Hα-helixtrans-65.5-45.5177.2-68.5177.116.700111.5E1000 L1001 I1002 A1006 T1007 I1008E1000-Q1004 WeakPolarHBondContact O-CG 3.49Å; E1000-Q1004 PolarHBondContact O-N 2.96Å; E1000-Q1004 PolarHBondContact OE1-NE2 3.19Å; L1001-Q1004 PolarHBondContact O-N 3.3Å; I1002-Q1004 PolarHBondContact O-N 3.36Å; Q1004-A1006 PolarHBondContact O-N 3.48Å; Q1004-T1007 PolarHBondContact O-N 3.1Å; Q1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; Q1004-I1008 PolarHBondContact O-N 2.99Å
1005A89.6Confident89.2Confident53 Ų5389 Ų8944%0.43848%0.482SS..Hα-helixtrans-61.9-41.3176.100000112.8L1001 I1002 I1008 T1009L1001-A1005 WeakPolarHBondContact O-CB 3.42Å; L1001-A1005 PolarHBondContact O-N 3.29Å; I1002-A1005 PolarHBondContact O-N 2.92Å; A1005-I1008 PolarHBondContact O-N 3.47Å; A1005-T1009 WeakPolarHBondContact O-CB 3.4Å; A1005-T1009 PolarHBondContact O-N 3.32Å; A1005-T1009 PolarHBondContact O-OG1 3.42Å
1006A89Confident89.1Confident62 Ų6292.5 Ų92.551%0.51249%0.491SS..Hα-helixtrans-62.9-41.8173.800000111.9I1002 R1003 Q1004 T1009 G1010I1002-A1006 WeakPolarHBondContact O-CB 3.47Å; I1002-A1006 PolarHBondContact O-N 3.41Å; R1003-A1006 PolarHBondContact O-N 2.89Å; Q1004-A1006 PolarHBondContact O-N 3.48Å; A1006-T1009 PolarHBondContact O-N 3.48Å; A1006-G1010 PolarHBondContact O-N 3.47Å
1007T87.7Confident88.9Confident81 Ų8195.1 Ų95.150%0.49750%0.497SS..Hα-helixtrans-64.6-43.4178.4-55.60000112R1003 Q1004 G1010 R1011R1003-T1007 WeakPolarHBondContact O-CB 3.27Å; R1003-T1007 PolarHBondContact O-N 2.89Å; R1003-T1007 PolarHBondContact O-OG1 3.05Å; Q1004-T1007 PolarHBondContact O-N 3.1Å; T1007-G1010 PolarHBondContact O-N 2.95Å; T1007-R1011 PolarHBondContact O-N 3.22Å; T1007-R1011 VanDerWaalsContact O-N 3.09Å
1008I86.9Confident88.6Confident118 Ų11895.6 Ų95.661%0.60550%0.501SS*.Hα-helixtrans-64-43175.6-67.1164.1000110.5Q1004 A1005 G1010 R1011 A1012Q1004-I1008 WeakPolarHBondContact O-CG1 3.21Å; Q1004-I1008 PolarHBondContact O-N 2.99Å; A1005-I1008 PolarHBondContact O-N 3.47Å; I1008-G1010 PolarHBondContact O-N 3.4Å; I1008-R1011 PolarHBondContact O-N 3.31Å; I1008-A1012 WeakPolarHBondContact O-CB 3.46Å; I1008-A1012 PolarHBondContact O-N 3.41Å
1009T89.7Confident88.4Confident96 Ų9693.1 Ų93.159%0.58951%0.505SS*.Hα-helixtrans-63.7-41178.2-55.70000111.7A1005 A1006 A1013A1005-T1009 WeakPolarHBondContact O-CB 3.4Å; A1005-T1009 PolarHBondContact O-N 3.32Å; A1005-T1009 PolarHBondContact O-OG1 3.42Å; A1006-T1009 PolarHBondContact O-N 3.48Å; T1009-A1013 WeakPolarHBondContact O-CB 3.19Å; T1009-A1013 PolarHBondContact O-N 2.89Å
1010G87.4Confident88.1Confident41 Ų4195.5 Ų95.542%0.42352%0.515SS..Hα-helixtrans-63.6-44.8176.800000113.1A1006 T1007 I1008 A1013 A1014A1006-G1010 PolarHBondContact O-N 3.47Å; T1007-G1010 PolarHBondContact O-N 2.95Å; I1008-G1010 PolarHBondContact O-N 3.4Å; G1010-A1013 WeakPolarHBondContact O-CB 3.36Å; G1010-A1013 PolarHBondContact O-N 3.47Å; G1010-A1014 PolarHBondContact O-N 2.67Å; G1010-A1014 VanDerWaalsContact O-N 3.1Å
1011R85.5Confident88Confident180 Ų18094.5 Ų94.568%0.67952%0.519SS*.Hα-helixtrans-59.5-52.9174-72.1-178.1178.7-164-2.8111.3T1007 I1008 A1013 A1014 D1015T1007-R1011 PolarHBondContact O-N 3.22Å; T1007-R1011 VanDerWaalsContact O-N 3.09Å; I1008-R1011 PolarHBondContact O-N 3.31Å; R1011-A1013 PolarHBondContact O-N 2.89Å; R1011-A1013 VanDerWaalsContact O-N 3.09Å; R1011-A1014 PolarHBondContact O-N 2.78Å; R1011-D1015 PolarHBondContact O-N 3.15Å; R1011-D1015 VanDerWaalsContact O-OD2 3.12Å
1012A85.3Confident87.9Confident31 Ų3195.6 Ų95.626%0.25652%0.519SS..Hα-helixtrans-61.9-22.3178.700000113.7I1008 R1016I1008-A1012 WeakPolarHBondContact O-CB 3.46Å; I1008-A1012 PolarHBondContact O-N 3.41Å; A1012-R1016 VanDerWaalsContact C-NH1 3.28Å; A1012-R1016 WeakPolarHBondContact O-CG 3.36Å; A1012-R1016 PolarHBondContact O-NH1 3.25Å
1013A87.6Confident87.9Confident49 Ų4996 Ų9641%0.40552%0.522SS..Hα-helixtrans-72.8-50.6170.500000111.1T1009 G1010 R1011 D1015 R1016 E1017T1009-A1013 WeakPolarHBondContact O-CB 3.19Å; T1009-A1013 PolarHBondContact O-N 2.89Å; G1010-A1013 WeakPolarHBondContact O-CB 3.36Å; G1010-A1013 PolarHBondContact O-N 3.47Å; R1011-A1013 PolarHBondContact O-N 2.89Å; R1011-A1013 VanDerWaalsContact O-N 3.09Å; A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 3.03Å; A1013-R1016 PolarHBondContact O-N 3.11Å; A1013-E1017 PolarHBondContact O-N 2.94Å
1014A86.3Confident87.8Confident53 Ų5395.5 Ų95.544%0.43852%0.52SS..Hα-helixtrans-59.1-41.1177.100000112.6G1010 R1011 R1016 E1017 M1018G1010-A1014 PolarHBondContact O-N 2.67Å; G1010-A1014 VanDerWaalsContact O-N 3.1Å; R1011-A1014 PolarHBondContact O-N 2.78Å; A1014-R1016 VanDerWaalsContact C-N 3.3Å; A1014-R1016 PolarHBondContact O-N 3.16Å; A1014-E1017 PolarHBondContact O-N 3.19Å; A1014-M1018 WeakPolarHBondContact O-CB 3.45Å; A1014-M1018 PolarHBondContact O-N 2.68Å
1015D85.8Confident87.7Confident102 Ų10296.4 Ų96.455%0.54552%0.524SS..Hα-helixtrans-59.2-40.3177.6-58.8-33.4000111.8R1011 A1013 A1019R1011-D1015 PolarHBondContact O-N 3.15Å; R1011-D1015 VanDerWaalsContact O-OD2 3.12Å; A1013-D1015 VanDerWaalsContact C-N 3.33Å; A1013-D1015 PolarHBondContact O-N 3.03Å; D1015-A1019 WeakPolarHBondContact O-CB 3.36Å; D1015-A1019 PolarHBondContact O-N 3.45Å; D1015-A1019 VanDerWaalsContact O-N 3.08Å
1016R88Confident87.5Confident167 Ų16797.1 Ų97.163%0.6352%0.519SS*.Hα-helixtrans-72-37.8176.6-69.1179.8-164.4103.3-9.3112.3A1012 A1013 A1014 A1019 M1020A1012-R1016 VanDerWaalsContact C-NH1 3.28Å; A1012-R1016 WeakPolarHBondContact O-CG 3.36Å; A1012-R1016 PolarHBondContact O-NH1 3.25Å; A1013-R1016 PolarHBondContact O-N 3.11Å; A1014-R1016 VanDerWaalsContact C-N 3.3Å; A1014-R1016 PolarHBondContact O-N 3.16Å; R1016-A1019 PolarHBondContact O-N 2.79Å; R1016-M1020 WeakPolarHBondContact O-CB 3.47Å; R1016-M1020 WeakPolarHBondContact O-CG 3.49Å; R1016-M1020 PolarHBondContact O-N 3.34Å
1017E86.2Confident87.6Confident145 Ų14598.1 Ų98.168%0.67852%0.516SS*.Hα-helixtrans-67.1-42.3178.2-173.2158.9-150.500111.1A1013 A1014 M1020 A1021A1013-E1017 PolarHBondContact O-N 2.94Å; A1014-E1017 PolarHBondContact O-N 3.19Å; E1017-M1020 CarbonylContact O-C 3.52Å; E1017-M1020 PolarHBondContact O-N 3.06Å; E1017-A1021 PolarHBondContact O-N 3.41Å
1018M85.2Confident87.7Confident120 Ų120100.5 Ų100.559%0.59152%0.522SS*.Hα-helixtrans-61.4-43.5172.4-171.1-172.8-64.900112.1A1014 M1020 A1021 K1022A1014-M1018 WeakPolarHBondContact O-CB 3.45Å; A1014-M1018 PolarHBondContact O-N 2.68Å; M1018-M1020 PolarHBondContact O-N 3Å; M1018-A1021 WeakPolarHBondContact O-CB 3.28Å; M1018-A1021 PolarHBondContact O-N 3.25Å; M1018-K1022 PolarHBondContact O-N 3.2Å; M1018-K1022 VanDerWaalsContact O-N 3.1Å
1019A88.5Confident87.8Confident63 Ų6399.7 Ų99.752%0.52152%0.518SS..Hα-helixtrans-63.4-39.6174.800000112.4D1015 R1016 A1021 L1023D1015-A1019 WeakPolarHBondContact O-CB 3.36Å; D1015-A1019 PolarHBondContact O-N 3.45Å; D1015-A1019 VanDerWaalsContact O-N 3.08Å; R1016-A1019 PolarHBondContact O-N 2.79Å; A1019-A1021 VanDerWaalsContact C-N 3.34Å; A1019-L1023 PolarHBondContact O-N 3.39Å
1020M87.6Confident87.9Confident116 Ų116100.9 Ų100.957%0.57151%0.511SS*.Hα-helixtrans-68.4-29.6173.6-79.3-169.7158.600113.3R1016 E1017 M1018 R1024R1016-M1020 WeakPolarHBondContact O-CB 3.47Å; R1016-M1020 WeakPolarHBondContact O-CG 3.49Å; R1016-M1020 PolarHBondContact O-N 3.34Å; E1017-M1020 CarbonylContact O-C 3.52Å; E1017-M1020 PolarHBondContact O-N 3.06Å; M1018-M1020 PolarHBondContact O-N 3Å; M1020-R1024 VanDerWaalsContact C-NH1 3.29Å; M1020-R1024 WeakPolarHBondContact O-CG 3.38Å; M1020-R1024 PolarHBondContact O-N 2.81Å; M1020-R1024 PolarHBondContact O-NH1 3.28Å
1021A87.4Confident88.2Confident51 Ų51102.1 Ų102.142%0.42151%0.514SS..Hα-helixtrans-66.2-54.2173.700000110.8E1017 M1018 A1019 L1023 R1024 E1025E1017-A1021 PolarHBondContact O-N 3.41Å; M1018-A1021 WeakPolarHBondContact O-CB 3.28Å; M1018-A1021 PolarHBondContact O-N 3.25Å; A1019-A1021 VanDerWaalsContact C-N 3.34Å; A1021-L1023 PolarHBondContact O-N 3.02Å; A1021-R1024 PolarHBondContact O-N 3.23Å; A1021-E1025 PolarHBondContact O-N 2.97Å; A1021-E1025 VanDerWaalsContact O-N 3.17Å
1022K89.7Confident88.5Confident135 Ų13598.9 Ų98.959%0.58751%0.506SS*.Hα-helixtrans-58.4-32.3178.9-68.8-168.4174.6-166.70113.5M1018 M1026M1018-K1022 PolarHBondContact O-N 3.2Å; M1018-K1022 VanDerWaalsContact O-N 3.1Å; K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.95Å; K1022-M1026 VanDerWaalsContact O-N 3.07Å
1023L90.4Very high88.7Confident105 Ų105102.3 Ų102.355%0.5551%0.513SS..Hα-helixtrans-66.1-40.5175.9-172.466.5000112.5A1019 A1021 M1026 D1027A1019-L1023 PolarHBondContact O-N 3.39Å; A1021-L1023 PolarHBondContact O-N 3.02Å; L1023-M1026 HydrophobicContact CD1-CE 4.09Å; L1023-D1027 PolarHBondContact O-N 2.96Å; L1023-D1027 VanDerWaalsContact O-N 3.15Å
1024R89.5Confident88.9Confident144 Ų144103 Ų10354%0.54351%0.509SS..Hα-helixtrans-67.6-46177.9-66.2179-168.698.7-8.8111.4M1020 A1021 M1026 D1027 E1028M1020-R1024 VanDerWaalsContact C-NH1 3.29Å; M1020-R1024 WeakPolarHBondContact O-CG 3.38Å; M1020-R1024 PolarHBondContact O-N 2.81Å; M1020-R1024 PolarHBondContact O-NH1 3.28Å; A1021-R1024 PolarHBondContact O-N 3.23Å; R1024-M1026 VanDerWaalsContact C-N 3.31Å; R1024-M1026 PolarHBondContact O-N 3.4Å; R1024-D1027 PolarHBondContact O-N 3.33Å; R1024-D1027 VanDerWaalsContact O-N 3.14Å; R1024-E1028 WeakPolarHBondContact O-CG 3.32Å; R1024-E1028 PolarHBondContact O-N 2.87Å
1025E88.6Confident89.2Confident112 Ų112104.8 Ų104.852%0.52351%0.511SS..Hα-helixtrans-54.3-46175.1-179.3179.1-159.100111.6A1021 D1027 E1028 L1029A1021-E1025 PolarHBondContact O-N 2.97Å; A1021-E1025 VanDerWaalsContact O-N 3.17Å; E1025-D1027 PolarHBondContact O-N 3.49Å; E1025-E1028 PolarHBondContact O-N 3.1Å; E1025-L1029 HydrophobicContact CG-CD1 4.23Å; E1025-L1029 WeakPolarHBondContact O-CB 3.45Å; E1025-L1029 VanDerWaalsContact O-CG 3.3Å; E1025-L1029 WeakPolarHBondContact O-CG 3.31Å; E1025-L1029 PolarHBondContact O-N 2.91Å
1026M85.8Confident89.5Confident68 Ų68104.2 Ų104.234%0.33551%0.507SS..Hα-helixtrans-66.2-36.1177.6-173.6-140.556.300113.1K1022 L1023 R1024 R1030K1022-M1026 WeakPolarHBondContact O-CB 3.38Å; K1022-M1026 PolarHBondContact O-N 2.95Å; K1022-M1026 VanDerWaalsContact O-N 3.07Å; L1023-M1026 HydrophobicContact CD1-CE 4.09Å; R1024-M1026 VanDerWaalsContact C-N 3.31Å; R1024-M1026 PolarHBondContact O-N 3.4Å; M1026-R1030 WeakPolarHBondContact O-CB 3.46Å; M1026-R1030 WeakPolarHBondContact O-CD 3.37Å; M1026-R1030 WeakPolarHBondContact O-CG 3.2Å; M1026-R1030 PolarHBondContact O-N 2.68Å; M1026-R1030 VanDerWaalsContact SD-CZ 3.55Å; M1026-R1030 PolarHBondContact SD-NH2 2.82Å
1027D90.6Very high89.7Confident84 Ų84103.3 Ų103.345%0.44950%0.504SS..Hα-helixtrans-73.2-34175.2-79.9-23.2000112.6L1023 R1024 E1025 R1030 S1031L1023-D1027 PolarHBondContact O-N 2.96Å; L1023-D1027 VanDerWaalsContact O-N 3.15Å; R1024-D1027 PolarHBondContact O-N 3.33Å; R1024-D1027 VanDerWaalsContact O-N 3.14Å; E1025-D1027 PolarHBondContact O-N 3.49Å; D1027-R1030 PolarHBondContact O-N 3.12Å; D1027-R1030 IonicContact OD1-NH1 2.62Å; D1027-S1031 PolarHBondContact O-N 2.87Å; D1027-S1031 VanDerWaalsContact O-N 3.07Å
1028E90.5Very high90Very high131 Ų131102.2 Ų102.261%0.61250%0.497SS*.Hα-helixtrans-63.1-50.2171.8-74.2173-160.500110.8R1024 E1025 R1030 S1031 E1032R1024-E1028 WeakPolarHBondContact O-CG 3.32Å; R1024-E1028 PolarHBondContact O-N 2.87Å; E1025-E1028 PolarHBondContact O-N 3.1Å; E1028-R1030 VanDerWaalsContact C-N 3.3Å; E1028-R1030 PolarHBondContact O-N 3.2Å; E1028-S1031 WeakPolarHBondContact O-CB 3.32Å; E1028-S1031 PolarHBondContact O-N 3.09Å; E1028-S1031 PolarHBondContact O-OG 3.37Å; E1028-E1032 PolarHBondContact O-N 3.03Å
1029L88.6Confident90.4Very high100 Ų100101.5 Ų101.552%0.52449%0.492SS..Hα-helixtrans-58.7-36.8175.2-72.2169.3000113.1E1025 R1033E1025-L1029 HydrophobicContact CG-CD1 4.23Å; E1025-L1029 WeakPolarHBondContact O-CB 3.45Å; E1025-L1029 VanDerWaalsContact O-CG 3.3Å; E1025-L1029 WeakPolarHBondContact O-CG 3.31Å; E1025-L1029 PolarHBondContact O-N 2.91Å; L1029-R1033 VanDerWaalsContact O-CB 3.27Å; L1029-R1033 WeakPolarHBondContact O-CB 3.28Å; L1029-R1033 PolarHBondContact O-N 3.14Å
1030R91.5Very high90.3Very high121 Ų121103 Ų10346%0.45749%0.491SS..Hα-helixtrans-63.2-41.9173-77.3166.5174.1-161.7-3.7111.7M1026 D1027 E1028 D1034M1026-R1030 WeakPolarHBondContact O-CB 3.46Å; M1026-R1030 WeakPolarHBondContact O-CD 3.37Å; M1026-R1030 WeakPolarHBondContact O-CG 3.2Å; M1026-R1030 PolarHBondContact O-N 2.68Å; M1026-R1030 VanDerWaalsContact SD-CZ 3.55Å; M1026-R1030 PolarHBondContact SD-NH2 2.82Å; D1027-R1030 PolarHBondContact O-N 3.12Å; D1027-R1030 IonicContact OD1-NH1 2.62Å; E1028-R1030 VanDerWaalsContact C-N 3.3Å; E1028-R1030 PolarHBondContact O-N 3.2Å; R1030-D1034 PolarHBondContact O-N 3.16Å; R1030-D1034 VanDerWaalsContact O-N 3.13Å
1031S92.5Very high90.5Very high68 Ų68100.9 Ų100.948%0.47649%0.485SS..Hα-helixtrans-66.7-41.8179.880.50000112.4D1027 E1028 D1034 I1035D1027-S1031 PolarHBondContact O-N 2.87Å; D1027-S1031 VanDerWaalsContact O-N 3.07Å; E1028-S1031 WeakPolarHBondContact O-CB 3.32Å; E1028-S1031 PolarHBondContact O-N 3.09Å; E1028-S1031 PolarHBondContact O-OG 3.37Å; S1031-D1034 PolarHBondContact O-N 3.49Å; S1031-I1035 WeakPolarHBondContact O-CG1 3.27Å; S1031-I1035 PolarHBondContact O-N 2.66Å; S1031-I1035 VanDerWaalsContact O-N 3.15Å
1032E91.8Very high90.7Very high111 Ų111104.7 Ų104.752%0.51949%0.494SS..Hα-helixtrans-64-47.1175.8-177174.2-159.600111.2E1028 D1034 I1035 L1036E1028-E1032 PolarHBondContact O-N 3.03Å; E1032-D1034 VanDerWaalsContact C-N 3.26Å; E1032-D1034 PolarHBondContact O-N 3.07Å; E1032-I1035 WeakPolarHBondContact O-CA 3.47Å; E1032-I1035 WeakPolarHBondContact O-CB 3.47Å; E1032-I1035 PolarHBondContact O-N 2.86Å; E1032-L1036 HydrophobicContact CG-CD1 4.01Å; E1032-L1036 HydrophobicContact CG-CG 4.38Å; E1032-L1036 WeakPolarHBondContact O-CG 3.49Å; E1032-L1036 PolarHBondContact O-N 2.81Å
1033R90.2Very high90.7Very high104 Ų104102.8 Ų102.839%0.39249%0.493SS..Hα-helixtrans-58.9-34.2177.3177.7-96.3-78156-1.8113.1L1029 R1037L1029-R1033 VanDerWaalsContact O-CB 3.27Å; L1029-R1033 WeakPolarHBondContact O-CB 3.28Å; L1029-R1033 PolarHBondContact O-N 3.14Å; R1033-R1037 WeakPolarHBondContact O-CB 3.33Å; R1033-R1037 VanDerWaalsContact O-CG 3.28Å; R1033-R1037 WeakPolarHBondContact O-CG 3.41Å; R1033-R1037 PolarHBondContact O-N 3.5Å; R1033-R1037 VanDerWaalsContact O-N 3.1Å
1034D92Very high90.7Very high63 Ų63104.2 Ų104.234%0.33750%0.495SS..Hα-helixtrans-86.6-3.9176-72.2-18.4000114.3R1030 S1031 E1032 R1037 K1038R1030-D1034 PolarHBondContact O-N 3.16Å; R1030-D1034 VanDerWaalsContact O-N 3.13Å; S1031-D1034 PolarHBondContact O-N 3.49Å; E1032-D1034 VanDerWaalsContact C-N 3.26Å; E1032-D1034 PolarHBondContact O-N 3.07Å; D1034-R1037 IonicContact OD1-NH1 2.65Å; D1034-R1037 PolarHBondContact OD1-NH1 3.06Å; D1034-K1038 WeakPolarHBondContact O-CD 3.41Å; D1034-K1038 VanDerWaalsContact O-CE 3.29Å; D1034-K1038 WeakPolarHBondContact O-CE 3.12Å; D1034-K1038 PolarHBondContact O-NZ 2.74Å
1035I93.3Very high90.8Very high90 Ų90104.2 Ų104.246%0.46250%0.501SS..Hα-helixtrans-85.8-52.9162-68.3164000109.1S1031 E1032 R1037 K1038 E1039S1031-I1035 WeakPolarHBondContact O-CG1 3.27Å; S1031-I1035 PolarHBondContact O-N 2.66Å; S1031-I1035 VanDerWaalsContact O-N 3.15Å; E1032-I1035 WeakPolarHBondContact O-CA 3.47Å; E1032-I1035 WeakPolarHBondContact O-CB 3.47Å; E1032-I1035 PolarHBondContact O-N 2.86Å; I1035-R1037 PolarHBondContact O-N 3.39Å; I1035-K1038 WeakPolarHBondContact O-CA 3.34Å; I1035-K1038 WeakPolarHBondContact O-CB 3.4Å; I1035-K1038 PolarHBondContact O-N 3.33Å; I1035-E1039 PolarHBondContact O-N 3.34Å; I1035-E1039 VanDerWaalsContact O-N 3.13Å
1036L90.6Very high90.8Very high91 Ų91102.1 Ų102.148%0.47650%0.503SS..Hα-helixtrans-56-36.4179.2-68.6171.5000112.6E1032 K1038 E1039 L1040E1032-L1036 HydrophobicContact CG-CD1 4.01Å; E1032-L1036 HydrophobicContact CG-CG 4.38Å; E1032-L1036 WeakPolarHBondContact O-CG 3.49Å; E1032-L1036 PolarHBondContact O-N 2.81Å; L1036-K1038 VanDerWaalsContact C-N 3.32Å; L1036-K1038 PolarHBondContact O-N 2.97Å; L1036-E1039 PolarHBondContact O-N 3.09Å; L1036-L1040 WeakPolarHBondContact O-CB 3.2Å; L1036-L1040 PolarHBondContact O-N 3.33Å
1037R92.7Very high90.9Very high147 Ų147104 Ų10456%0.55551%0.514SS*.Hα-helixtrans-61.2-35.5172.8-82.7172.6166.5-179-5.7113.6R1033 D1034 I1035 T1041R1033-R1037 WeakPolarHBondContact O-CB 3.33Å; R1033-R1037 VanDerWaalsContact O-CG 3.28Å; R1033-R1037 WeakPolarHBondContact O-CG 3.41Å; R1033-R1037 PolarHBondContact O-N 3.5Å; R1033-R1037 VanDerWaalsContact O-N 3.1Å; D1034-R1037 IonicContact OD1-NH1 2.65Å; D1034-R1037 PolarHBondContact OD1-NH1 3.06Å; I1035-R1037 PolarHBondContact O-N 3.39Å; R1037-T1041 PolarHBondContact O-N 3.1Å; R1037-T1041 PolarHBondContact O-OG1 3.4Å
1038K93Very high90.8Very high122 Ų122102.8 Ų102.853%0.5352%0.515SS..Hα-helixtrans-73.6-47.5177.9-66.9166.5-173.8136.10110.7D1034 I1035 L1036 L1040 T1041 E1042D1034-K1038 WeakPolarHBondContact O-CD 3.41Å; D1034-K1038 VanDerWaalsContact O-CE 3.29Å; D1034-K1038 WeakPolarHBondContact O-CE 3.12Å; D1034-K1038 PolarHBondContact O-NZ 2.74Å; I1035-K1038 WeakPolarHBondContact O-CA 3.34Å; I1035-K1038 WeakPolarHBondContact O-CB 3.4Å; I1035-K1038 PolarHBondContact O-N 3.33Å; L1036-K1038 VanDerWaalsContact C-N 3.32Å; L1036-K1038 PolarHBondContact O-N 2.97Å; K1038-L1040 VanDerWaalsContact C-N 3.26Å; K1038-L1040 PolarHBondContact O-N 3.44Å; K1038-T1041 WeakPolarHBondContact CA-OG1 3.24Å; K1038-T1041 WeakPolarHBondContact O-CA 3.45Å; K1038-T1041 PolarHBondContact O-N 2.95Å; K1038-T1041 PolarHBondContact O-OG1 3.37Å; K1038-E1042 PolarHBondContact O-N 3.35Å
1039E92.8Very high90.6Very high105 Ų10598.7 Ų98.749%0.49151%0.508SS..Hα-helixtrans-56.1-42.5175.2-63.2-173.4157.200111.1I1035 L1036 T1041 E1042 V1043I1035-E1039 PolarHBondContact O-N 3.34Å; I1035-E1039 VanDerWaalsContact O-N 3.13Å; L1036-E1039 PolarHBondContact O-N 3.09Å; E1039-T1041 PolarHBondContact O-N 3.21Å; E1039-E1042 PolarHBondContact O-N 3.25Å; E1039-V1043 WeakPolarHBondContact O-CB 3.17Å; E1039-V1043 VanDerWaalsContact O-CG2 3.31Å; E1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; E1039-V1043 PolarHBondContact O-N 3.48Å
1040L87.8Confident90.6Very high95 Ų9596.6 Ų96.650%0.49750%0.502SS..Hα-helixtrans-60.8-39173.8-178.262000113L1036 K1038 K1044L1036-L1040 WeakPolarHBondContact O-CB 3.2Å; L1036-L1040 PolarHBondContact O-N 3.33Å; K1038-L1040 VanDerWaalsContact C-N 3.26Å; K1038-L1040 PolarHBondContact O-N 3.44Å; L1040-K1044 HydrophobicContact CG-CD 4.48Å; L1040-K1044 WeakPolarHBondContact O-CB 3.17Å; L1040-K1044 VanDerWaalsContact O-CG 3.29Å; L1040-K1044 WeakPolarHBondContact O-CG 3.35Å; L1040-K1044 PolarHBondContact O-N 3.09Å
1041T91.2Very high90.4Very high72 Ų7294.6 Ų94.644%0.44250%0.503SS..Hα-helixtrans-70.2-38175.751.60000113R1037 K1038 E1039 K1044 Q1045R1037-T1041 PolarHBondContact O-N 3.1Å; R1037-T1041 PolarHBondContact O-OG1 3.4Å; K1038-T1041 WeakPolarHBondContact CA-OG1 3.24Å; K1038-T1041 WeakPolarHBondContact O-CA 3.45Å; K1038-T1041 PolarHBondContact O-N 2.95Å; K1038-T1041 PolarHBondContact O-OG1 3.37Å; E1039-T1041 PolarHBondContact O-N 3.21Å; T1041-K1044 PolarHBondContact O-N 3.33Å; T1041-Q1045 WeakPolarHBondContact O-CG 3.27Å; T1041-Q1045 PolarHBondContact O-N 3.03Å
1042E91.7Very high90.2Very high131 Ų13194.3 Ų94.361%0.61251%0.505SS*.Hα-helixtrans-66.7-44176.6-69.7178.1-161.400111.2K1038 E1039 K1044 Q1045 A1046K1038-E1042 PolarHBondContact O-N 3.35Å; E1039-E1042 PolarHBondContact O-N 3.25Å; E1042-K1044 PolarHBondContact O-N 3.35Å; E1042-Q1045 PolarHBondContact O-N 2.96Å; E1042-A1046 PolarHBondContact O-N 2.97Å
1043V90.1Very high90.1Very high95 Ų9595.3 Ų95.358%0.57651%0.51SS*.Hα-helixtrans-61.8-41.6174.41710000111.5E1039 Q1045 A1046 L1047E1039-V1043 WeakPolarHBondContact O-CB 3.17Å; E1039-V1043 VanDerWaalsContact O-CG2 3.31Å; E1039-V1043 WeakPolarHBondContact O-CG2 3.43Å; E1039-V1043 PolarHBondContact O-N 3.48Å; V1043-Q1045 PolarHBondContact O-N 3.22Å; V1043-A1046 PolarHBondContact O-N 3.17Å; V1043-L1047 WeakPolarHBondContact O-CB 3.43Å; V1043-L1047 PolarHBondContact O-N 3.4Å
1044K90.7Very high90Very high134 Ų13495 Ų9558%0.58352%0.515SS*.Hα-helixtrans-62-40.7175.3-79.3179.7177.5-172.40112.4L1040 T1041 E1042 A1048L1040-K1044 HydrophobicContact CG-CD 4.48Å; L1040-K1044 WeakPolarHBondContact O-CB 3.17Å; L1040-K1044 VanDerWaalsContact O-CG 3.29Å; L1040-K1044 WeakPolarHBondContact O-CG 3.35Å; L1040-K1044 PolarHBondContact O-N 3.09Å; T1041-K1044 PolarHBondContact O-N 3.33Å; E1042-K1044 PolarHBondContact O-N 3.35Å; K1044-A1048 WeakPolarHBondContact O-CB 3.24Å; K1044-A1048 PolarHBondContact O-N 3.09Å
1045Q90.2Very high89.9Confident145 Ų14593.7 Ų93.768%0.67851%0.514SS*.Hα-helixtrans-67.3-42.6176-71.1178.518.100112.2T1041 E1042 V1043 L1047 A1048 G1049T1041-Q1045 WeakPolarHBondContact O-CG 3.27Å; T1041-Q1045 PolarHBondContact O-N 3.03Å; E1042-Q1045 PolarHBondContact O-N 2.96Å; V1043-Q1045 PolarHBondContact O-N 3.22Å; Q1045-L1047 VanDerWaalsContact C-N 3.35Å; Q1045-L1047 PolarHBondContact O-N 3.37Å; Q1045-A1048 PolarHBondContact O-N 3.49Å; Q1045-G1049 PolarHBondContact O-N 3.39Å
1046A90Very high89.7Confident67 Ų6792 Ų9255%0.55451%0.514SS*.Hα-helixtrans-62.4-41.117600000112.1E1042 V1043 G1049 S1050E1042-A1046 PolarHBondContact O-N 2.97Å; V1043-A1046 PolarHBondContact O-N 3.17Å; A1046-G1049 PolarHBondContact O-N 3.25Å; A1046-S1050 WeakPolarHBondContact O-CB 3.41Å; A1046-S1050 PolarHBondContact O-N 2.88Å
1047L87.2Confident89.7Confident108 Ų10893.1 Ų93.157%0.56552%0.516SS*.Hα-helixtrans-65.9-41176.4-176.361.6000112.1V1043 Q1045 G1049 S1050 T1051V1043-L1047 WeakPolarHBondContact O-CB 3.43Å; V1043-L1047 PolarHBondContact O-N 3.4Å; Q1045-L1047 VanDerWaalsContact C-N 3.35Å; Q1045-L1047 PolarHBondContact O-N 3.37Å; L1047-G1049 VanDerWaalsContact C-N 3.35Å; L1047-G1049 PolarHBondContact O-N 3.17Å; L1047-S1050 PolarHBondContact O-N 3.12Å; L1047-T1051 HydrophobicContact CD1-CG2 4.05Å; L1047-T1051 HydrophobicContact CG-CG2 4.37Å; L1047-T1051 WeakPolarHBondContact O-CB 3.48Å; L1047-T1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-T1051 PolarHBondContact O-N 2.87Å; L1047-T1051 PolarHBondContact O-OG1 3.37Å
1048A88Confident89.6Confident59 Ų5994.5 Ų94.549%0.48852%0.522SS..Hα-helixtrans-61.3-41174.800000112.2K1044 Q1045 T1051 A1052K1044-A1048 WeakPolarHBondContact O-CB 3.24Å; K1044-A1048 PolarHBondContact O-N 3.09Å; Q1045-A1048 PolarHBondContact O-N 3.49Å; A1048-T1051 WeakPolarHBondContact CA-OG1 3.39Å; A1048-T1051 PolarHBondContact O-OG1 3.2Å; A1048-T1051 VanDerWaalsContact O-OG1 3.14Å; A1048-A1052 WeakPolarHBondContact O-CB 3.35Å; A1048-A1052 PolarHBondContact O-N 3.21Å; A1048-A1052 VanDerWaalsContact O-N 3.17Å
1049G87.7Confident89.5Confident44 Ų4496.7 Ų96.745%0.45453%0.526SS..Hα-helixtrans-63-51.917400000112.4Q1045 A1046 L1047 T1051 A1052 E1053Q1045-G1049 PolarHBondContact O-N 3.39Å; A1046-G1049 PolarHBondContact O-N 3.25Å; L1047-G1049 VanDerWaalsContact C-N 3.35Å; L1047-G1049 PolarHBondContact O-N 3.17Å; G1049-T1051 PolarHBondContact O-N 2.64Å; G1049-A1052 PolarHBondContact O-N 2.78Å; G1049-E1053 PolarHBondContact O-N 3.37Å
1050S87.2Confident89.5Confident57 Ų5796.8 Ų96.840%0.39953%0.527SS..Hα-helixtrans-61.3-41.6-179.5178.60000112.9A1046 L1047 E1053 N1054A1046-S1050 WeakPolarHBondContact O-CB 3.41Å; A1046-S1050 PolarHBondContact O-N 2.88Å; L1047-S1050 PolarHBondContact O-N 3.12Å; S1050-E1053 PolarHBondContact O-N 2.96Å; S1050-N1054 WeakPolarHBondContact O-CB 3.36Å; S1050-N1054 PolarHBondContact O-N 2.84Å; S1050-N1054 PolarHBondContact O-ND2 3.29Å; S1050-N1054 PolarHBondContact OG-ND2 3.11Å
1051T88.3Confident89.8Confident79 Ų7997.2 Ų97.249%0.48553%0.529SS..Hα-helixtrans-67.1-37.5178.1480000112.1L1047 A1048 G1049 A1055L1047-T1051 HydrophobicContact CD1-CG2 4.05Å; L1047-T1051 HydrophobicContact CG-CG2 4.37Å; L1047-T1051 WeakPolarHBondContact O-CB 3.48Å; L1047-T1051 WeakPolarHBondContact O-CG2 3.39Å; L1047-T1051 PolarHBondContact O-N 2.87Å; L1047-T1051 PolarHBondContact O-OG1 3.37Å; A1048-T1051 WeakPolarHBondContact CA-OG1 3.39Å; A1048-T1051 PolarHBondContact O-OG1 3.2Å; A1048-T1051 VanDerWaalsContact O-OG1 3.14Å; G1049-T1051 PolarHBondContact O-N 2.64Å; T1051-A1055 VanDerWaalsContact O-CB 3.26Å; T1051-A1055 WeakPolarHBondContact O-CB 3.44Å; T1051-A1055 PolarHBondContact O-N 3.36Å
1052A88.5Confident89.8Confident62 Ų6297.7 Ų97.751%0.51253%0.526SS..Hα-helixtrans-64.6-42.7173.900000112.6A1048 G1049 A1055 A1056A1048-A1052 WeakPolarHBondContact O-CB 3.35Å; A1048-A1052 PolarHBondContact O-N 3.21Å; A1048-A1052 VanDerWaalsContact O-N 3.17Å; G1049-A1052 PolarHBondContact O-N 2.78Å; A1052-A1055 PolarHBondContact O-N 2.83Å; A1052-A1056 PolarHBondContact O-N 3.18Å
1053E88.7Confident89.8Confident132 Ų13294.1 Ų94.162%0.61752%0.519SS*.Hα-helixtrans-64.6-50177.2-173.1166.2-14600111.8G1049 S1050 A1055 A1056 E1057G1049-E1053 PolarHBondContact O-N 3.37Å; S1050-E1053 PolarHBondContact O-N 2.96Å; E1053-A1055 VanDerWaalsContact C-N 3.26Å; E1053-A1055 PolarHBondContact O-N 3.44Å; E1053-A1056 WeakPolarHBondContact O-CA 3.23Å; E1053-A1056 WeakPolarHBondContact O-CB 3.47Å; E1053-A1056 PolarHBondContact O-N 2.77Å; E1053-E1057 PolarHBondContact O-N 3.31Å
1054N88.6Confident90Very high96 Ų9695.7 Ų95.751%0.51352%0.515SS..Hα-helixtrans-57.8-37.3174.2-81.8-81.5000112.4S1050 A1056 R1058S1050-N1054 WeakPolarHBondContact O-CB 3.36Å; S1050-N1054 PolarHBondContact O-N 2.84Å; S1050-N1054 PolarHBondContact O-ND2 3.29Å; S1050-N1054 PolarHBondContact OG-ND2 3.11Å; N1054-A1056 VanDerWaalsContact C-N 3.34Å; N1054-R1058 VanDerWaalsContact O-CB 3.32Å; N1054-R1058 WeakPolarHBondContact O-CB 3.35Å; N1054-R1058 PolarHBondContact O-N 3.19Å
1055A88.9Confident90Very high37 Ų3793.6 Ų93.631%0.30651%0.51SS..Hα-helixtrans-70.8-27.5175.500000112.8T1051 A1052 E1053 R1059T1051-A1055 VanDerWaalsContact O-CB 3.26Å; T1051-A1055 WeakPolarHBondContact O-CB 3.44Å; T1051-A1055 PolarHBondContact O-N 3.36Å; A1052-A1055 PolarHBondContact O-N 2.83Å; E1053-A1055 VanDerWaalsContact C-N 3.26Å; E1053-A1055 PolarHBondContact O-N 3.44Å; A1055-R1059 VanDerWaalsContact C-NH1 3.28Å; A1055-R1059 VanDerWaalsContact O-CG 3.3Å; A1055-R1059 WeakPolarHBondContact O-CG 3.48Å; A1055-R1059 PolarHBondContact O-N 3.13Å; A1055-R1059 PolarHBondContact O-NH1 2.85Å
1056A90.5Very high90.1Very high55 Ų5594.1 Ų94.146%0.45551%0.505SS..Hα-helixtrans-73.8-45.3171.800000111.4A1052 E1053 N1054 R1058 R1059 Q1060A1052-A1056 PolarHBondContact O-N 3.18Å; E1053-A1056 WeakPolarHBondContact O-CA 3.23Å; E1053-A1056 WeakPolarHBondContact O-CB 3.47Å; E1053-A1056 PolarHBondContact O-N 2.77Å; N1054-A1056 VanDerWaalsContact C-N 3.34Å; A1056-R1058 PolarHBondContact O-N 3.48Å; A1056-R1059 PolarHBondContact O-N 3.04Å; A1056-Q1060 PolarHBondContact O-N 3.3Å
1057E90.6Very high90.1Very high114 Ų11497.6 Ų97.653%0.53351%0.51SS..Hα-helixtrans-60.1-45.5175.2-67.8-150.714400112E1053 R1059 Q1060 L1061E1053-E1057 PolarHBondContact O-N 3.31Å; E1057-R1059 VanDerWaalsContact C-N 3.29Å; E1057-R1059 PolarHBondContact O-N 2.86Å; E1057-Q1060 PolarHBondContact O-N 3.48Å; E1057-Q1060 VanDerWaalsContact O-N 3.07Å; E1057-L1061 WeakPolarHBondContact O-CG 3.42Å; E1057-L1061 PolarHBondContact O-N 3.48Å
1058R90.3Very high90.4Very high176 Ų17695.9 Ų95.966%0.66450%0.504SS*.Hα-helixtrans-58.1-39.8177.6-174171.7177.8165.3-1112.1N1054 A1056 Q1062N1054-R1058 VanDerWaalsContact O-CB 3.32Å; N1054-R1058 WeakPolarHBondContact O-CB 3.35Å; N1054-R1058 PolarHBondContact O-N 3.19Å; A1056-R1058 PolarHBondContact O-N 3.48Å; R1058-Q1062 WeakPolarHBondContact O-CB 3.39Å; R1058-Q1062 WeakPolarHBondContact O-CG 3.27Å; R1058-Q1062 PolarHBondContact O-N 2.87Å
1059R91.6Very high90.6Very high167 Ų16797.4 Ų97.463%0.6350%0.501SS*.Hα-helixtrans-65.5-44.4173.5-71.5175.2-172.9105-13.9111.7A1055 A1056 E1057 L1061 Q1062 A1063A1055-R1059 VanDerWaalsContact C-NH1 3.28Å; A1055-R1059 VanDerWaalsContact O-CG 3.3Å; A1055-R1059 WeakPolarHBondContact O-CG 3.48Å; A1055-R1059 PolarHBondContact O-N 3.13Å; A1055-R1059 PolarHBondContact O-NH1 2.85Å; A1056-R1059 PolarHBondContact O-N 3.04Å; E1057-R1059 VanDerWaalsContact C-N 3.29Å; E1057-R1059 PolarHBondContact O-N 2.86Å; R1059-L1061 PolarHBondContact O-N 3.5Å; R1059-Q1062 PolarHBondContact O-N 2.93Å; R1059-A1063 PolarHBondContact O-N 3.2Å
1060Q92.8Very high90.8Very high107 Ų10798 Ų9850%0.550%0.501SS..Hα-helixtrans-64-40.1178.1-168.8-175.489.400112.3A1056 E1057 A1063 R1064A1056-Q1060 PolarHBondContact O-N 3.3Å; E1057-Q1060 PolarHBondContact O-N 3.48Å; E1057-Q1060 VanDerWaalsContact O-N 3.07Å; Q1060-A1063 PolarHBondContact O-N 2.87Å; Q1060-R1064 PolarHBondContact O-N 2.93Å; Q1060-R1064 VanDerWaalsContact O-N 3.09Å; Q1060-R1064 VanDerWaalsContact OE1-CZ 3.24Å; Q1060-R1064 VanDerWaalsContact OE1-NH2 3.09Å
1061L93Very high91.1Very high104 Ų104101.6 Ų101.655%0.54551%0.512SS..Hα-helixtrans-67.9-40.5176.5-69.3173.3000111.9E1057 R1059 A1063 R1064 L1065E1057-L1061 WeakPolarHBondContact O-CG 3.42Å; E1057-L1061 PolarHBondContact O-N 3.48Å; R1059-L1061 PolarHBondContact O-N 3.5Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.25Å; L1061-R1064 PolarHBondContact O-N 3.44Å; L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.47Å
1062Q92Very high91.4Very high83 Ų83101.7 Ų101.739%0.38851%0.509SS..Hα-helixtrans-66-31.2173.2-77.6-175.4-6.900113.4R1058 R1059 R1066R1058-Q1062 WeakPolarHBondContact O-CB 3.39Å; R1058-Q1062 WeakPolarHBondContact O-CG 3.27Å; R1058-Q1062 PolarHBondContact O-N 2.87Å; R1059-Q1062 PolarHBondContact O-N 2.93Å; Q1062-R1066 WeakPolarHBondContact O-CG 3.4Å; Q1062-R1066 PolarHBondContact O-N 2.87Å; Q1062-R1066 PolarHBondContact O-NH1 3.27Å
1063A91.9Very high91.5Very high56 Ų56105.3 Ų105.346%0.46352%0.516SS..Hα-helixtrans-67.5-48.3173.200000111.2R1059 Q1060 L1061 L1065 R1066 E1067R1059-A1063 PolarHBondContact O-N 3.2Å; Q1060-A1063 PolarHBondContact O-N 2.87Å; L1061-A1063 VanDerWaalsContact C-N 3.33Å; L1061-A1063 PolarHBondContact O-N 3.25Å; A1063-L1065 VanDerWaalsContact C-N 3.31Å; A1063-L1065 PolarHBondContact O-N 3.41Å; A1063-R1066 PolarHBondContact O-N 2.66Å; A1063-E1067 PolarHBondContact O-N 3.43Å
1064R92.7Very high91.8Very high127 Ų127101.5 Ų101.548%0.47951%0.507SS..Hα-helixtrans-61.3-36.1175.3-73.3-175.4-179.7122.56.8113Q1060 L1061 E1067 T1068Q1060-R1064 PolarHBondContact O-N 2.93Å; Q1060-R1064 VanDerWaalsContact O-N 3.09Å; Q1060-R1064 VanDerWaalsContact OE1-CZ 3.24Å; Q1060-R1064 VanDerWaalsContact OE1-NH2 3.09Å; L1061-R1064 PolarHBondContact O-N 3.44Å; R1064-E1067 PolarHBondContact O-N 2.97Å; R1064-T1068 WeakPolarHBondContact O-CG2 3.46Å; R1064-T1068 PolarHBondContact O-N 3Å; R1064-T1068 PolarHBondContact O-OG1 3.35Å
1065L90.8Very high92Very high91 Ų91103.7 Ų103.748%0.47651%0.508SS..Hα-helixtrans-60.1-54.4176.7-177.662.6000110.5L1061 A1063 E1067 T1068 E1069L1061-L1065 WeakPolarHBondContact O-CB 3.37Å; L1061-L1065 PolarHBondContact O-N 3.47Å; A1063-L1065 VanDerWaalsContact C-N 3.31Å; A1063-L1065 PolarHBondContact O-N 3.41Å; L1065-E1067 VanDerWaalsContact C-N 3.3Å; L1065-E1067 PolarHBondContact O-N 2.85Å; L1065-T1068 CarbonylContact O-C 3.36Å; L1065-T1068 PolarHBondContact O-N 2.97Å; L1065-T1068 PolarHBondContact O-OG1 2.93Å; L1065-E1069 HydrophobicContact CD1-CG 4.38Å; L1065-E1069 HydrophobicContact CG-CG 4.45Å; L1065-E1069 WeakPolarHBondContact CG-OE1 3.48Å; L1065-E1069 WeakPolarHBondContact O-CG 3.35Å; L1065-E1069 PolarHBondContact O-N 2.92Å
1066R92.3Very high92.1Very high155 Ų155106.2 Ų106.259%0.58552%0.515SS*.Hα-helixtrans-57.4-39.7177.5-69.5-179.3-178.7100-7.9113Q1062 A1063 E1069 A1070Q1062-R1066 WeakPolarHBondContact O-CG 3.4Å; Q1062-R1066 PolarHBondContact O-N 2.87Å; Q1062-R1066 PolarHBondContact O-NH1 3.27Å; A1063-R1066 PolarHBondContact O-N 2.66Å; R1066-E1069 PolarHBondContact O-N 3.05Å; R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.2Å
1067E91.3Very high92.2Very high140 Ų140107 Ų10765%0.65452%0.517SS*.Hα-helixtrans-60-44.8174.4-175.3-177.9-165.400111.7A1063 R1064 L1065 H1071A1063-E1067 PolarHBondContact O-N 3.43Å; R1064-E1067 PolarHBondContact O-N 2.97Å; L1065-E1067 VanDerWaalsContact C-N 3.3Å; L1065-E1067 PolarHBondContact O-N 2.85Å; E1067-H1071 PolarHBondContact O-N 3.29Å; E1067-H1071 VanDerWaalsContact O-N 3.13Å
1068T93.2Very high92.3Very high73 Ų73106.9 Ų106.945%0.44852%0.52SS..Hα-helixtrans-71.6-31.2176.260.60000113.6R1064 L1065 N1072R1064-T1068 WeakPolarHBondContact O-CG2 3.46Å; R1064-T1068 PolarHBondContact O-N 3Å; R1064-T1068 PolarHBondContact O-OG1 3.35Å; L1065-T1068 CarbonylContact O-C 3.36Å; L1065-T1068 PolarHBondContact O-N 2.97Å; L1065-T1068 PolarHBondContact O-OG1 2.93Å; T1068-N1072 PolarHBondContact O-N 3.07Å; T1068-N1072 VanDerWaalsContact O-N 3.09Å; T1068-N1072 PolarHBondContact O-ND2 3.44Å
1069E91.9Very high92.5Very high91 Ų91102.6 Ų102.643%0.42551%0.51SS..Hα-helixtrans-67.8-51176-72.7165.9157.500110.4L1065 R1066 H1071 N1072 E1073L1065-E1069 HydrophobicContact CD1-CG 4.38Å; L1065-E1069 HydrophobicContact CG-CG 4.45Å; L1065-E1069 WeakPolarHBondContact CG-OE1 3.48Å; L1065-E1069 WeakPolarHBondContact O-CG 3.35Å; L1065-E1069 PolarHBondContact O-N 2.92Å; R1066-E1069 PolarHBondContact O-N 3.05Å; E1069-H1071 VanDerWaalsContact C-N 3.31Å; E1069-H1071 PolarHBondContact O-N 3Å; E1069-N1072 WeakPolarHBondContact O-CA 3.45Å; E1069-N1072 PolarHBondContact O-N 3.45Å; E1069-E1073 PolarHBondContact O-N 2.9Å
1070A92.6Very high92.6Very high55 Ų55101.2 Ų101.246%0.45551%0.508SS..Hα-helixtrans-57.8-39.8175.600000112.9R1066 E1073 A1074R1066-A1070 WeakPolarHBondContact O-CB 3.36Å; R1066-A1070 PolarHBondContact O-N 3.2Å; A1070-E1073 PolarHBondContact O-N 3.35Å; A1070-A1074 WeakPolarHBondContact O-CB 3.41Å; A1070-A1074 PolarHBondContact O-N 2.82Å
1071H93.8Very high92.6Very high133 Ų13399.1 Ų99.162%0.61651%0.51SS*.Hα-helixtrans-62.8-41.3173.4-177-5000112E1067 E1069 R1075E1067-H1071 PolarHBondContact O-N 3.29Å; E1067-H1071 VanDerWaalsContact O-N 3.13Å; E1069-H1071 VanDerWaalsContact C-N 3.31Å; E1069-H1071 PolarHBondContact O-N 3Å; H1071-R1075 WeakPolarHBondContact O-CB 3.19Å; H1071-R1075 PolarHBondContact O-N 2.8Å; H1071-R1075 VanDerWaalsContact O-N 3.12Å
1072N92.9Very high92.7Very high81 Ų8198.5 Ų98.543%0.43350%0.504SS..Hα-helixtrans-68.7-39.2177.9-77.4-56.4000112T1068 E1069 R1075 I1076T1068-N1072 PolarHBondContact O-N 3.07Å; T1068-N1072 VanDerWaalsContact O-N 3.09Å; T1068-N1072 PolarHBondContact O-ND2 3.44Å; E1069-N1072 WeakPolarHBondContact O-CA 3.45Å; E1069-N1072 PolarHBondContact O-N 3.45Å; N1072-R1075 PolarHBondContact O-N 3.31Å; N1072-I1076 WeakPolarHBondContact O-CB 3.5Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.37Å; N1072-I1076 VanDerWaalsContact O-CG1 3.25Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.33Å; N1072-I1076 PolarHBondContact O-N 3.38Å
1073E92.2Very high92.6Very high139 Ų13999.3 Ų99.365%0.6551%0.51SS*.Hα-helixtrans-62.7-47.6175.1-71.2-173.4159.500112.3E1069 A1070 R1075 I1076 S1077E1069-E1073 PolarHBondContact O-N 2.9Å; A1070-E1073 PolarHBondContact O-N 3.35Å; E1073-R1075 VanDerWaalsContact C-N 3.33Å; E1073-R1075 PolarHBondContact O-N 2.77Å; E1073-I1076 WeakPolarHBondContact O-CB 3.43Å; E1073-I1076 PolarHBondContact O-N 2.79Å; E1073-I1076 VanDerWaalsContact O-N 3.09Å; E1073-S1077 PolarHBondContact O-N 3.31Å
1074A93.3Very high92.6Very high51 Ų51100.8 Ų100.842%0.42151%0.508SS..Hα-helixtrans-55.2-48.6174.900000111.4A1070 I1076 S1077 D1078A1070-A1074 WeakPolarHBondContact O-CB 3.41Å; A1070-A1074 PolarHBondContact O-N 2.82Å; A1074-I1076 VanDerWaalsContact C-N 3.3Å; A1074-I1076 PolarHBondContact O-N 2.8Å; A1074-S1077 WeakPolarHBondContact O-CA 3.36Å; A1074-S1077 VanDerWaalsContact O-CB 3.22Å; A1074-S1077 WeakPolarHBondContact O-CB 3.47Å; A1074-S1077 PolarHBondContact O-N 3.21Å; A1074-D1078 PolarHBondContact O-N 3.34Å
1075R92.9Very high92.6Very high142 Ų142100.4 Ų100.454%0.53651%0.506SS..Hα-helixtrans-63.7-31.4177178.7178.3166.1-157.2-5.8113.5H1071 N1072 E1073 I1079H1071-R1075 WeakPolarHBondContact O-CB 3.19Å; H1071-R1075 PolarHBondContact O-N 2.8Å; H1071-R1075 VanDerWaalsContact O-N 3.12Å; N1072-R1075 PolarHBondContact O-N 3.31Å; E1073-R1075 VanDerWaalsContact C-N 3.33Å; E1073-R1075 PolarHBondContact O-N 2.77Å; R1075-I1079 HydrophobicContact CG-CD1 4.17Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.38Å; R1075-I1079 VanDerWaalsContact O-CG1 3.26Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; R1075-I1079 PolarHBondContact O-N 2.85Å
1076I91.8Very high92.8Very high90 Ų9099.3 Ų99.346%0.46250%0.503SS..Hα-helixtrans-70.4-36.9172.5-73.7164000110.3N1072 E1073 A1074 I1079 K1080N1072-I1076 WeakPolarHBondContact O-CB 3.5Å; N1072-I1076 WeakPolarHBondContact O-CD1 3.37Å; N1072-I1076 VanDerWaalsContact O-CG1 3.25Å; N1072-I1076 WeakPolarHBondContact O-CG1 3.33Å; N1072-I1076 PolarHBondContact O-N 3.38Å; E1073-I1076 WeakPolarHBondContact O-CB 3.43Å; E1073-I1076 PolarHBondContact O-N 2.79Å; E1073-I1076 VanDerWaalsContact O-N 3.09Å; A1074-I1076 VanDerWaalsContact C-N 3.3Å; A1074-I1076 PolarHBondContact O-N 2.8Å; I1076-I1079 PolarHBondContact O-N 3.33Å; I1076-K1080 HydrophobicContact CG2-CD 4.24Å; I1076-K1080 VanDerWaalsContact O-CG 3.32Å; I1076-K1080 WeakPolarHBondContact O-CG 3.46Å; I1076-K1080 PolarHBondContact O-N 3.36Å
1077S92.4Very high92.8Very high72 Ų7299.3 Ų99.350%0.50350%0.503SS..Hα-helixtrans-63-48.4174.1-158.90000111.4E1073 A1074 I1079 K1080 A1081E1073-S1077 PolarHBondContact O-N 3.31Å; A1074-S1077 WeakPolarHBondContact O-CA 3.36Å; A1074-S1077 VanDerWaalsContact O-CB 3.22Å; A1074-S1077 WeakPolarHBondContact O-CB 3.47Å; A1074-S1077 PolarHBondContact O-N 3.21Å; S1077-I1079 VanDerWaalsContact C-N 3.3Å; S1077-I1079 PolarHBondContact O-N 3.38Å; S1077-K1080 WeakPolarHBondContact O-CB 3.28Å; S1077-K1080 PolarHBondContact O-N 2.68Å; S1077-A1081 PolarHBondContact O-N 2.77Å
1078D93.2Very high92.9Very high111 Ų11197.7 Ų97.759%0.59450%0.495SS*.Hα-helixtrans-55.5-45.1176.6-63-29.4000111.8A1074 A1081 E1082A1074-D1078 PolarHBondContact O-N 3.34Å; D1078-A1081 PolarHBondContact O-N 2.81Å; D1078-E1082 PolarHBondContact O-N 2.94Å
1079I93.5Very high92.9Very high87 Ų8798.3 Ų98.345%0.44649%0.493SS..Hα-helixtrans-67.3-35.5178.8-69.3167.7000111.5R1075 I1076 S1077 L1083R1075-I1079 HydrophobicContact CG-CD1 4.17Å; R1075-I1079 WeakPolarHBondContact O-CD1 3.38Å; R1075-I1079 VanDerWaalsContact O-CG1 3.26Å; R1075-I1079 WeakPolarHBondContact O-CG1 3.47Å; R1075-I1079 PolarHBondContact O-N 2.85Å; I1076-I1079 PolarHBondContact O-N 3.33Å; S1077-I1079 VanDerWaalsContact C-N 3.3Å; S1077-I1079 PolarHBondContact O-N 3.38Å; I1079-L1083 HydrophobicContact CG2-CD1 4.08Å; I1079-L1083 WeakPolarHBondContact O-CB 3.48Å; I1079-L1083 VanDerWaalsContact O-CG 3.24Å; I1079-L1083 WeakPolarHBondContact O-CG 3.42Å; I1079-L1083 PolarHBondContact O-N 3.12Å
1080K93.8Very high92.9Very high137 Ų13799.3 Ų99.360%0.59650%0.501SS*.Hα-helixtrans-65.1-44.5173.2-75.2169.9178.5177.20111.5I1076 S1077 L1083 E1084I1076-K1080 HydrophobicContact CG2-CD 4.24Å; I1076-K1080 VanDerWaalsContact O-CG 3.32Å; I1076-K1080 WeakPolarHBondContact O-CG 3.46Å; I1076-K1080 PolarHBondContact O-N 3.36Å; S1077-K1080 WeakPolarHBondContact O-CB 3.28Å; S1077-K1080 PolarHBondContact O-N 2.68Å; K1080-L1083 PolarHBondContact O-N 3.39Å; K1080-E1084 PolarHBondContact O-N 3.18Å
1081A93.7Very high92.8Very high64 Ų64103.1 Ų103.153%0.52951%0.51SS..Hα-helixtrans-63.8-43178.900000112.3S1077 D1078 E1084 R1085S1077-A1081 PolarHBondContact O-N 2.77Å; D1078-A1081 PolarHBondContact O-N 2.81Å; A1081-E1084 PolarHBondContact O-N 3.44Å; A1081-R1085 PolarHBondContact O-N 3.24Å
1082E94.1Very high92.8Very high90 Ų90102.7 Ų102.742%0.42151%0.508SS..Hα-helixtrans-64.6-38.9174.2178.964.4-152.300111.9D1078 R1085 V1086D1078-E1082 PolarHBondContact O-N 2.94Å; E1082-R1085 IonicContact OE1-CZ 2.75Å; E1082-R1085 IonicContact OE1-NH2 3.76Å; E1082-R1085 PolarHBondContact OE1-NH2 2.72Å; E1082-R1085 IonicContact OE2-CZ 3.62Å; E1082-R1085 IonicContact OE2-NH1 3.19Å; E1082-R1085 PolarHBondContact OE2-NH1 2.95Å; E1082-R1085 IonicContact OE2-NH2 2.89Å; E1082-R1085 PolarHBondContact OE2-NH2 3.06Å; E1082-V1086 VanDerWaalsContact O-CG2 3.31Å; E1082-V1086 WeakPolarHBondContact O-CG2 3.09Å; E1082-V1086 PolarHBondContact O-N 3.39Å; E1082-V1086 VanDerWaalsContact O-N 3.07Å
1083L91.4Very high92.8Very high100 Ų100104 Ų10452%0.52451%0.514SS..Hα-helixtrans-64.7-36.7174.3-78.9170.4000113I1079 K1080 R1087I1079-L1083 HydrophobicContact CG2-CD1 4.08Å; I1079-L1083 WeakPolarHBondContact O-CB 3.48Å; I1079-L1083 VanDerWaalsContact O-CG 3.24Å; I1079-L1083 WeakPolarHBondContact O-CG 3.42Å; I1079-L1083 PolarHBondContact O-N 3.12Å; K1080-L1083 PolarHBondContact O-N 3.39Å; L1083-R1087 WeakPolarHBondContact O-CG 3.38Å; L1083-R1087 PolarHBondContact O-N 2.63Å; L1083-R1087 VanDerWaalsContact O-N 3.13Å
1084E91.6Very high92.8Very high88 Ų88102.6 Ų102.641%0.41151%0.508SS..Hα-helixtrans-73.2-40.8177.9-149.361.9-153.400111.6K1080 A1081 V1086 R1087 E1088K1080-E1084 PolarHBondContact O-N 3.18Å; A1081-E1084 PolarHBondContact O-N 3.44Å; E1084-V1086 VanDerWaalsContact C-N 3.28Å; E1084-V1086 PolarHBondContact O-N 3.21Å; E1084-R1087 WeakPolarHBondContact O-CA 3.31Å; E1084-R1087 WeakPolarHBondContact O-CB 3.29Å; E1084-R1087 PolarHBondContact O-N 3.48Å; E1084-R1087 IonicContact OE1-NH1 2.78Å; E1084-R1087 PolarHBondContact OE1-NH1 2.86Å; E1084-R1087 WeakPolarHBondContact OE2-CD 3.26Å; E1084-R1087 IonicContact OE2-CZ 3.26Å; E1084-R1087 IonicContact OE2-NE 3.53Å; E1084-R1087 IonicContact OE2-NH1 3.12Å; E1084-R1087 PolarHBondContact OE2-NH1 3.37Å; E1084-E1088 PolarHBondContact O-N 2.84Å
1085R93Very high92.8Very high119 Ų119103.9 Ų103.945%0.44951%0.51SS..Hα-helixtrans-57-42.7171.1-166.4-172.878.6-134.3-13111.8A1081 E1082 R1087 E1088 E1089A1081-R1085 PolarHBondContact O-N 3.24Å; E1082-R1085 IonicContact OE1-CZ 2.75Å; E1082-R1085 IonicContact OE1-NH2 3.76Å; E1082-R1085 PolarHBondContact OE1-NH2 2.72Å; E1082-R1085 IonicContact OE2-CZ 3.62Å; E1082-R1085 IonicContact OE2-NH1 3.19Å; E1082-R1085 PolarHBondContact OE2-NH1 2.95Å; E1082-R1085 IonicContact OE2-NH2 2.89Å; E1082-R1085 PolarHBondContact OE2-NH2 3.06Å; R1085-R1087 VanDerWaalsContact C-N 3.25Å; R1085-R1087 PolarHBondContact O-N 2.85Å; R1085-E1088 PolarHBondContact O-N 3.16Å; R1085-E1089 IonicContact CZ-OE1 3.78Å; R1085-E1089 IonicContact NE-OE1 3.62Å; R1085-E1089 PolarHBondContact NE-OE1 3.09Å; R1085-E1089 IonicContact NH2-OE1 2.66Å; R1085-E1089 WeakPolarHBondContact O-CB 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.37Å; R1085-E1089 PolarHBondContact O-N 2.9Å
1086V93.1Very high92.6Very high67 Ų67102.9 Ų102.941%0.40651%0.511SS..Hα-helixtrans-67.5-24.3177.5170.70000112.5E1082 E1084 L1090E1082-V1086 VanDerWaalsContact O-CG2 3.31Å; E1082-V1086 WeakPolarHBondContact O-CG2 3.09Å; E1082-V1086 PolarHBondContact O-N 3.39Å; E1082-V1086 VanDerWaalsContact O-N 3.07Å; E1084-V1086 VanDerWaalsContact C-N 3.28Å; E1084-V1086 PolarHBondContact O-N 3.21Å; V1086-L1090 WeakPolarHBondContact O-CB 3.12Å; V1086-L1090 PolarHBondContact O-N 3.02Å
1087R93.2Very high92.6Very high155 Ų155103.1 Ų103.159%0.58551%0.513SS*.Hα-helixtrans-74.6-46170-72.5160.7162.9-163.3-6.6111.6L1083 E1084 R1085 E1089 L1090 E1091L1083-R1087 WeakPolarHBondContact O-CG 3.38Å; L1083-R1087 PolarHBondContact O-N 2.63Å; L1083-R1087 VanDerWaalsContact O-N 3.13Å; E1084-R1087 WeakPolarHBondContact O-CA 3.31Å; E1084-R1087 WeakPolarHBondContact O-CB 3.29Å; E1084-R1087 PolarHBondContact O-N 3.48Å; E1084-R1087 IonicContact OE1-NH1 2.78Å; E1084-R1087 PolarHBondContact OE1-NH1 2.86Å; E1084-R1087 WeakPolarHBondContact OE2-CD 3.26Å; E1084-R1087 IonicContact OE2-CZ 3.26Å; E1084-R1087 IonicContact OE2-NE 3.53Å; E1084-R1087 IonicContact OE2-NH1 3.12Å; E1084-R1087 PolarHBondContact OE2-NH1 3.37Å; R1085-R1087 VanDerWaalsContact C-N 3.25Å; R1085-R1087 PolarHBondContact O-N 2.85Å; R1087-E1089 VanDerWaalsContact C-N 3.34Å; R1087-E1089 PolarHBondContact O-N 3.49Å; R1087-L1090 PolarHBondContact O-N 3.09Å; R1087-L1090 VanDerWaalsContact O-N 3.11Å; R1087-E1091 PolarHBondContact O-N 2.98Å
1088E92.5Very high92.6Very high106 Ų106105.3 Ų105.350%0.49552%0.515SS..Hα-helixtrans-58.2-45.4174.9-68177.6175.900111.4E1084 R1085 L1090 E1091 Q1092E1084-E1088 PolarHBondContact O-N 2.84Å; R1085-E1088 PolarHBondContact O-N 3.16Å; E1088-L1090 VanDerWaalsContact C-N 3.3Å; E1088-L1090 PolarHBondContact O-N 2.91Å; E1088-E1091 PolarHBondContact O-N 3.46Å; E1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; E1088-Q1092 VanDerWaalsContact O-CG 3.23Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; E1088-Q1092 PolarHBondContact O-N 3.3Å
1089E93.1Very high92.5Very high87 Ų87104 Ų10441%0.40751%0.511SS..Hα-helixtrans-58.8-40.1174.2-74.6175.8-149.500111.8R1085 R1087 L1093R1085-E1089 IonicContact CZ-OE1 3.78Å; R1085-E1089 IonicContact NE-OE1 3.62Å; R1085-E1089 PolarHBondContact NE-OE1 3.09Å; R1085-E1089 IonicContact NH2-OE1 2.66Å; R1085-E1089 WeakPolarHBondContact O-CB 3.03Å; R1085-E1089 WeakPolarHBondContact O-CG 3.37Å; R1085-E1089 PolarHBondContact O-N 2.9Å; R1087-E1089 VanDerWaalsContact C-N 3.34Å; R1087-E1089 PolarHBondContact O-N 3.49Å; E1089-L1093 WeakPolarHBondContact O-CB 3.4Å; E1089-L1093 VanDerWaalsContact O-CG 3.25Å; E1089-L1093 WeakPolarHBondContact O-CG 3.38Å; E1089-L1093 PolarHBondContact O-N 3.5Å
1090L91.9Very high92.3Very high112 Ų112103.3 Ų103.359%0.58651%0.511SS*.Hα-helixtrans-71.6-39.4178.9-173150000112.4V1086 R1087 E1088 L1093 Q1094V1086-L1090 WeakPolarHBondContact O-CB 3.12Å; V1086-L1090 PolarHBondContact O-N 3.02Å; R1087-L1090 PolarHBondContact O-N 3.09Å; R1087-L1090 VanDerWaalsContact O-N 3.11Å; E1088-L1090 VanDerWaalsContact C-N 3.3Å; E1088-L1090 PolarHBondContact O-N 2.91Å; L1090-L1093 PolarHBondContact O-N 3.09Å; L1090-Q1094 WeakPolarHBondContact O-CB 3.48Å; L1090-Q1094 PolarHBondContact O-N 2.98Å
1091E92.1Very high92.2Very high135 Ų135102 Ų10263%0.63151%0.507SS*.Hα-helixtrans-67.6-43175.6-176165.1-153.600111.4R1087 E1088 L1093 Q1094 V1095R1087-E1091 PolarHBondContact O-N 2.98Å; E1088-E1091 PolarHBondContact O-N 3.46Å; E1091-L1093 PolarHBondContact O-N 3.16Å; E1091-Q1094 WeakPolarHBondContact O-CB 3.5Å; E1091-Q1094 PolarHBondContact O-N 3.38Å; E1091-Q1094 VanDerWaalsContact O-N 3.1Å; E1091-V1095 WeakPolarHBondContact O-CG2 3.47Å; E1091-V1095 PolarHBondContact O-N 3Å
1092Q92.6Very high92Very high124 Ų124101.3 Ų101.358%0.57950%0.502SS*.Hα-helixtrans-57.3-48.6172.7-73.117238.500111.3E1088 Q1094 V1095 E1096E1088-Q1092 WeakPolarHBondContact O-CB 3.44Å; E1088-Q1092 VanDerWaalsContact O-CG 3.23Å; E1088-Q1092 WeakPolarHBondContact O-CG 3.37Å; E1088-Q1092 PolarHBondContact O-N 3.3Å; Q1092-Q1094 VanDerWaalsContact C-N 3.27Å; Q1092-Q1094 PolarHBondContact O-N 2.99Å; Q1092-V1095 PolarHBondContact O-N 3.39Å; Q1092-V1095 VanDerWaalsContact O-N 3.16Å; Q1092-E1096 PolarHBondContact O-N 3.23Å
1093L92.9Very high91.9Very high109 Ų10999.5 Ų99.557%0.57150%0.499SS*.Hα-helixtrans-62.9-30.6175.7-73.6169.8000113E1089 L1090 E1091 L1097E1089-L1093 WeakPolarHBondContact O-CB 3.4Å; E1089-L1093 VanDerWaalsContact O-CG 3.25Å; E1089-L1093 WeakPolarHBondContact O-CG 3.38Å; E1089-L1093 PolarHBondContact O-N 3.5Å; L1090-L1093 PolarHBondContact O-N 3.09Å; E1091-L1093 PolarHBondContact O-N 3.16Å; L1093-L1097 WeakPolarHBondContact O-CB 3.26Å; L1093-L1097 PolarHBondContact O-N 3.41Å
1094Q91.7Very high91.7Very high109 Ų10999.1 Ų99.151%0.50950%0.495SS..Hα-helixtrans-71.3-37.7174.4-172.9170.1-53.700111.9L1090 E1091 Q1092 L1097 Q1098L1090-Q1094 WeakPolarHBondContact O-CB 3.48Å; L1090-Q1094 PolarHBondContact O-N 2.98Å; E1091-Q1094 WeakPolarHBondContact O-CB 3.5Å; E1091-Q1094 PolarHBondContact O-N 3.38Å; E1091-Q1094 VanDerWaalsContact O-N 3.1Å; Q1092-Q1094 VanDerWaalsContact C-N 3.27Å; Q1092-Q1094 PolarHBondContact O-N 2.99Å; Q1094-L1097 PolarHBondContact O-N 3.46Å; Q1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; Q1094-Q1098 PolarHBondContact O-N 3.13Å
1095V93.3Very high91.6Very high77 Ų77101.6 Ų101.647%0.46751%0.508SS..Hα-helixtrans-69.5-40.3173.1174.70000111.3E1091 Q1092 L1097 Q1098 T1099E1091-V1095 WeakPolarHBondContact O-CG2 3.47Å; E1091-V1095 PolarHBondContact O-N 3Å; Q1092-V1095 PolarHBondContact O-N 3.39Å; Q1092-V1095 VanDerWaalsContact O-N 3.16Å; V1095-L1097 VanDerWaalsContact C-N 3.31Å; V1095-L1097 PolarHBondContact O-N 3.35Å; V1095-Q1098 PolarHBondContact O-N 2.98Å; V1095-T1099 HydrophobicContact CG1-CG2 4.37Å; V1095-T1099 WeakPolarHBondContact O-CB 3.42Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.48Å; V1095-T1099 PolarHBondContact O-N 3.11Å; V1095-T1099 PolarHBondContact O-OG1 3.45Å
1096E90.7Very high91.4Very high121 Ų121102.5 Ų102.557%0.56552%0.517SS*.Hα-helixtrans-60.7-39.5171.3-73-163.6159.700111.8Q1092 T1099 T1100Q1092-E1096 PolarHBondContact O-N 3.23Å; E1096-T1099 WeakPolarHBondContact CA-OG1 3.43Å; E1096-T1099 PolarHBondContact O-OG1 2.83Å; E1096-T1100 WeakPolarHBondContact O-CB 3.25Å; E1096-T1100 VanDerWaalsContact O-CG2 3.28Å; E1096-T1100 WeakPolarHBondContact O-CG2 3.37Å; E1096-T1100 PolarHBondContact O-N 3.34Å; E1096-T1100 PolarHBondContact O-OG1 3.22Å
1097L90.6Very high91.3Very high95 Ų95104.9 Ų104.950%0.49753%0.527SS..Hα-helixtrans-65.7-40.8176.2-177.160.7000112.3L1093 Q1094 V1095 T1100 Q1101L1093-L1097 WeakPolarHBondContact O-CB 3.26Å; L1093-L1097 PolarHBondContact O-N 3.41Å; Q1094-L1097 PolarHBondContact O-N 3.46Å; V1095-L1097 VanDerWaalsContact C-N 3.31Å; V1095-L1097 PolarHBondContact O-N 3.35Å; L1097-T1100 WeakPolarHBondContact CA-OG1 3.25Å; L1097-T1100 PolarHBondContact O-OG1 3.45Å; L1097-T1100 VanDerWaalsContact O-OG1 3.11Å; L1097-Q1101 HydrophobicContact CD1-CG 4.5Å; L1097-Q1101 WeakPolarHBondContact O-CB 3.36Å; L1097-Q1101 WeakPolarHBondContact O-CG 3.44Å; L1097-Q1101 PolarHBondContact O-N 2.79Å
1098Q92.1Very high91.2Very high119 Ų119104.7 Ų104.756%0.55653%0.526SS*.Hα-helixtrans-68.7-45.4177.2-72.6-179.12.700112.2Q1094 V1095 Q1101 A1102Q1094-Q1098 WeakPolarHBondContact O-CG 3.47Å; Q1094-Q1098 PolarHBondContact O-N 3.13Å; V1095-Q1098 PolarHBondContact O-N 2.98Å; Q1098-Q1101 PolarHBondContact O-N 2.92Å; Q1098-A1102 PolarHBondContact O-N 3.1Å
1099T91.4Very high91Very high82 Ų82103.2 Ų103.250%0.50353%0.528SS..Hα-helixtrans-66.8-38.6179.1510000112.2V1095 E1096 A1102 S1103V1095-T1099 HydrophobicContact CG1-CG2 4.37Å; V1095-T1099 WeakPolarHBondContact O-CB 3.42Å; V1095-T1099 WeakPolarHBondContact O-CG2 3.48Å; V1095-T1099 PolarHBondContact O-N 3.11Å; V1095-T1099 PolarHBondContact O-OG1 3.45Å; E1096-T1099 WeakPolarHBondContact CA-OG1 3.43Å; E1096-T1099 PolarHBondContact O-OG1 2.83Å; T1099-A1102 PolarHBondContact O-N 3.38Å; T1099-S1103 PolarHBondContact O-N 2.83Å
1100T90.1Very high90.9Very high73 Ų73102.7 Ų102.745%0.44853%0.53SS..Hα-helixtrans-65.6-41.8172.951.10000112.3E1096 L1097 A1102 S1103 E1104E1096-T1100 WeakPolarHBondContact O-CB 3.25Å; E1096-T1100 VanDerWaalsContact O-CG2 3.28Å; E1096-T1100 WeakPolarHBondContact O-CG2 3.37Å; E1096-T1100 PolarHBondContact O-N 3.34Å; E1096-T1100 PolarHBondContact O-OG1 3.22Å; L1097-T1100 WeakPolarHBondContact CA-OG1 3.25Å; L1097-T1100 PolarHBondContact O-OG1 3.45Å; L1097-T1100 VanDerWaalsContact O-OG1 3.11Å; T1100-A1102 PolarHBondContact O-N 2.88Å; T1100-S1103 PolarHBondContact O-N 3.23Å; T1100-S1103 PolarHBondContact O-OG 3.34Å; T1100-E1104 PolarHBondContact O-N 3.34Å
1101Q91.3Very high90.8Very high109 Ų109100.7 Ų100.751%0.50952%0.52SS..Hα-helixtrans-60.7-40.5174-76.7175.517.200112.9L1097 Q1098 E1104 M1105L1097-Q1101 HydrophobicContact CD1-CG 4.5Å; L1097-Q1101 WeakPolarHBondContact O-CB 3.36Å; L1097-Q1101 WeakPolarHBondContact O-CG 3.44Å; L1097-Q1101 PolarHBondContact O-N 2.79Å; Q1098-Q1101 PolarHBondContact O-N 2.92Å; Q1101-E1104 PolarHBondContact O-N 2.68Å; Q1101-M1105 PolarHBondContact O-N 3.02Å
1102A89.7Confident90.7Very high51 Ų51100.1 Ų100.142%0.42152%0.518SS..Hα-helixtrans-61-48.917400000111.4Q1098 T1099 T1100 E1104 M1105 E1106Q1098-A1102 PolarHBondContact O-N 3.1Å; T1099-A1102 PolarHBondContact O-N 3.38Å; T1100-A1102 PolarHBondContact O-N 2.88Å; A1102-E1104 VanDerWaalsContact C-N 3.27Å; A1102-E1104 PolarHBondContact O-N 2.9Å; A1102-M1105 WeakPolarHBondContact O-CB 3.37Å; A1102-M1105 PolarHBondContact O-N 3.06Å; A1102-E1106 PolarHBondContact O-N 3.28Å
1103S90.5Very high90.7Very high52 Ų52100.9 Ų100.936%0.36452%0.521SS..Hα-helixtrans-61.3-33.3177.276.60000113.1T1099 T1100 L1107T1099-S1103 PolarHBondContact O-N 2.83Å; T1100-S1103 PolarHBondContact O-N 3.23Å; T1100-S1103 PolarHBondContact O-OG 3.34Å; S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.28Å; S1103-L1107 WeakPolarHBondContact O-CG 2.95Å; S1103-L1107 PolarHBondContact O-N 3.39Å
1104E89.2Confident90.5Very high92 Ų92100.6 Ų100.643%0.4352%0.516SS..Hα-helixtrans-69.8-36.1174.9-152.1-155.3142.900111.6T1100 Q1101 A1102 L1107 R1108T1100-E1104 PolarHBondContact O-N 3.34Å; Q1101-E1104 PolarHBondContact O-N 2.68Å; A1102-E1104 VanDerWaalsContact C-N 3.27Å; A1102-E1104 PolarHBondContact O-N 2.9Å; E1104-L1107 PolarHBondContact O-N 3.39Å; E1104-R1108 WeakPolarHBondContact O-CB 3.22Å; E1104-R1108 WeakPolarHBondContact O-CD 3.49Å; E1104-R1108 WeakPolarHBondContact O-CG 3.42Å; E1104-R1108 PolarHBondContact O-N 2.97Å; E1104-R1108 IonicContact OE1-CZ 3.67Å; E1104-R1108 IonicContact OE1-NE 3.52Å; E1104-R1108 PolarHBondContact OE1-NE 3.07Å; E1104-R1108 IonicContact OE1-NH2 2.95Å; E1104-R1108 PolarHBondContact OE1-NH2 3.26Å; E1104-R1108 IonicContact OE2-NH2 3.83Å
1105M88.7Confident90.5Very high140 Ų140100.6 Ų100.669%0.6952%0.515SS*.Hα-helixtrans-65.5-42.9176.2-162.7-177.7-56.100111.7Q1101 A1102 R1108 S1109Q1101-M1105 PolarHBondContact O-N 3.02Å; A1102-M1105 WeakPolarHBondContact O-CB 3.37Å; A1102-M1105 PolarHBondContact O-N 3.06Å; M1105-R1108 PolarHBondContact O-N 3.08Å; M1105-S1109 PolarHBondContact O-N 2.84Å
1106E89.2Confident90.4Very high138 Ų138106.5 Ų106.565%0.64553%0.529SS*.Hα-helixtrans-62-48.7173.1-68.3-177.8168.600111.7A1102 R1108 S1109 V1110A1102-E1106 PolarHBondContact O-N 3.28Å; E1106-R1108 VanDerWaalsContact C-N 3.3Å; E1106-R1108 PolarHBondContact O-N 3.26Å; E1106-S1109 WeakPolarHBondContact O-CB 3.36Å; E1106-S1109 PolarHBondContact O-N 3.37Å; E1106-S1109 VanDerWaalsContact O-N 3.08Å; E1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; E1106-V1110 PolarHBondContact O-N 3.42Å
1107L90.5Very high90.5Very high117 Ų117105.5 Ų105.561%0.61352%0.523SS*.Hα-helixtrans-60.4-37.3177.2-75.8169.6000112.6S1103 E1104 N1111S1103-L1107 WeakPolarHBondContact O-CB 3.48Å; S1103-L1107 VanDerWaalsContact O-CG 3.28Å; S1103-L1107 WeakPolarHBondContact O-CG 2.95Å; S1103-L1107 PolarHBondContact O-N 3.39Å; E1104-L1107 PolarHBondContact O-N 3.39Å; L1107-N1111 VanDerWaalsContact O-CB 3.28Å; L1107-N1111 WeakPolarHBondContact O-CB 3.49Å; L1107-N1111 PolarHBondContact O-N 3.13Å
1108R90.8Very high90.4Very high151 Ų151105.2 Ų105.257%0.5752%0.521SS*.Hα-helixtrans-63.3-42.1173.1-75.4167178-148.98.5111.6E1104 M1105 E1106 N1111 Q1112E1104-R1108 WeakPolarHBondContact O-CB 3.22Å; E1104-R1108 WeakPolarHBondContact O-CD 3.49Å; E1104-R1108 WeakPolarHBondContact O-CG 3.42Å; E1104-R1108 PolarHBondContact O-N 2.97Å; E1104-R1108 IonicContact OE1-CZ 3.67Å; E1104-R1108 IonicContact OE1-NE 3.52Å; E1104-R1108 PolarHBondContact OE1-NE 3.07Å; E1104-R1108 IonicContact OE1-NH2 2.95Å; E1104-R1108 PolarHBondContact OE1-NH2 3.26Å; E1104-R1108 IonicContact OE2-NH2 3.83Å; M1105-R1108 PolarHBondContact O-N 3.08Å; E1106-R1108 VanDerWaalsContact C-N 3.3Å; E1106-R1108 PolarHBondContact O-N 3.26Å; R1108-N1111 PolarHBondContact O-N 3.06Å; R1108-Q1112 WeakPolarHBondContact O-CG 3.42Å; R1108-Q1112 PolarHBondContact O-N 3.07Å
1109S88.2Confident90.4Very high75 Ų75104.6 Ų104.652%0.52452%0.518SS..Hα-helixtrans-63.6-47.9175.8-1740000111.9M1105 E1106 N1111 Q1112 H1113M1105-S1109 PolarHBondContact O-N 2.84Å; E1106-S1109 WeakPolarHBondContact O-CB 3.36Å; E1106-S1109 PolarHBondContact O-N 3.37Å; E1106-S1109 VanDerWaalsContact O-N 3.08Å; S1109-N1111 VanDerWaalsContact C-N 3.31Å; S1109-N1111 PolarHBondContact O-N 3.34Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.49Å; S1109-Q1112 PolarHBondContact O-N 2.61Å; S1109-H1113 PolarHBondContact O-N 2.92Å
1110V91.1Very high90.4Very high76 Ų76105.3 Ų105.346%0.46152%0.515SS..Hα-helixtrans-60.2-40.9175.3173.60000111.2E1106 Q1112 H1113 Q1114E1106-V1110 WeakPolarHBondContact O-CG2 3.39Å; E1106-V1110 PolarHBondContact O-N 3.42Å; V1110-Q1112 PolarHBondContact O-N 2.72Å; V1110-H1113 PolarHBondContact O-N 3.48Å; V1110-Q1114 HydrophobicContact CG1-CG 4.47Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; V1110-Q1114 PolarHBondContact O-N 3.36Å
1111N90.7Very high90.5Very high69 Ų69105.7 Ų105.737%0.36951%0.514SS..Hα-helixtrans-67.5-33.9177.6-167-101.9000112.9L1107 R1108 S1109 K1115L1107-N1111 VanDerWaalsContact O-CB 3.28Å; L1107-N1111 WeakPolarHBondContact O-CB 3.49Å; L1107-N1111 PolarHBondContact O-N 3.13Å; R1108-N1111 PolarHBondContact O-N 3.06Å; S1109-N1111 VanDerWaalsContact C-N 3.31Å; S1109-N1111 PolarHBondContact O-N 3.34Å; N1111-K1115 WeakPolarHBondContact O-CG 3.44Å; N1111-K1115 PolarHBondContact O-N 3.49Å; N1111-K1115 VanDerWaalsContact OD1-CE 3.29Å; N1111-K1115 WeakPolarHBondContact OD1-CE 3.35Å; N1111-K1115 PolarHBondContact OD1-NZ 3.41Å
1112Q90Very high90.5Very high124 Ų124105 Ų10558%0.57951%0.511SS*.Hα-helixtrans-65-46170.5-73.6179.46.600111.3R1108 S1109 V1110 Q1114 K1115 W1116R1108-Q1112 WeakPolarHBondContact O-CG 3.42Å; R1108-Q1112 PolarHBondContact O-N 3.07Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.49Å; S1109-Q1112 PolarHBondContact O-N 2.61Å; V1110-Q1112 PolarHBondContact O-N 2.72Å; Q1112-Q1114 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 PolarHBondContact O-N 3.23Å; Q1112-K1115 PolarHBondContact O-N 2.94Å; Q1112-W1116 PolarHBondContact O-N 3.2Å
1113H91.2Very high90.6Very high140 Ų140107.7 Ų107.765%0.64852%0.518SS*.Hα-helixtrans-61.5-39.8176.7-173.675.8000112.3S1109 V1110 W1116 K1117S1109-H1113 PolarHBondContact O-N 2.92Å; V1110-H1113 PolarHBondContact O-N 3.48Å; H1113-W1116 PolarHBondContact O-N 2.91Å; H1113-K1117 WeakPolarHBondContact O-CB 3.46Å; H1113-K1117 PolarHBondContact O-N 3.44Å
1114Q90.3Very high90.8Very high102 Ų102108.6 Ų108.648%0.47752%0.517SS..Hα-helixtrans-62-41.5173.4-74.3172.4-8.800112.4V1110 Q1112 K1117 I1118V1110-Q1114 HydrophobicContact CG1-CG 4.47Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.47Å; V1110-Q1114 PolarHBondContact O-N 3.36Å; Q1112-Q1114 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 PolarHBondContact O-N 3.23Å; Q1114-K1117 PolarHBondContact O-N 2.95Å; Q1114-I1118 VanDerWaalsContact O-CG1 3.3Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.26Å; Q1114-I1118 PolarHBondContact O-N 2.89Å
1115K91.3Very high90.9Very high110 Ų110108.5 Ų108.548%0.47852%0.522SS..Hα-helixtrans-63.5-45.4174.9-77.7164.9173.3155.70112.4N1111 Q1112 K1117 I1118 H1119N1111-K1115 WeakPolarHBondContact O-CG 3.44Å; N1111-K1115 PolarHBondContact O-N 3.49Å; N1111-K1115 VanDerWaalsContact OD1-CE 3.29Å; N1111-K1115 WeakPolarHBondContact OD1-CE 3.35Å; N1111-K1115 PolarHBondContact OD1-NZ 3.41Å; Q1112-K1115 PolarHBondContact O-N 2.94Å; K1115-K1117 VanDerWaalsContact C-N 3.27Å; K1115-K1117 PolarHBondContact O-N 3.38Å; K1115-I1118 PolarHBondContact O-N 2.78Å; K1115-H1119 PolarHBondContact O-CD2 2.82Å; K1115-H1119 PolarHBondContact O-N 3.47Å
1116W91.4Very high91Very high200 Ų200106.7 Ų106.776%0.75851%0.514SS*.Hα-helixtrans-56-42.8171.3-87.498.8000111.9Q1112 H1113 H1119 E1120Q1112-W1116 PolarHBondContact O-N 3.2Å; H1113-W1116 PolarHBondContact O-N 2.91Å; W1116-H1119 PolarHBondContact O-N 3.22Å; W1116-E1120 PolarHBondContact O-N 3.24Å
1117K92.6Very high91.2Very high101 Ų101105.2 Ų105.244%0.43951%0.507SS..Hα-helixtrans-71.9-27.9179-170.753.2-177.6165.60113.6H1113 Q1114 K1115 E1120 L1121H1113-K1117 WeakPolarHBondContact O-CB 3.46Å; H1113-K1117 PolarHBondContact O-N 3.44Å; Q1114-K1117 PolarHBondContact O-N 2.95Å; K1115-K1117 VanDerWaalsContact C-N 3.27Å; K1115-K1117 PolarHBondContact O-N 3.38Å; K1117-E1120 HydrophobicContact CD-CB 4.48Å; K1117-E1120 HydrophobicContact CD-CG 4.38Å; K1117-L1121 HydrophobicContact CG-CD1 4.46Å; K1117-L1121 WeakPolarHBondContact O-CD1 3.37Å; K1117-L1121 VanDerWaalsContact O-CG 3.28Å; K1117-L1121 WeakPolarHBondContact O-CG 3.47Å; K1117-L1121 PolarHBondContact O-N 3.27Å
1118I89Confident91.2Very high88 Ų88105.9 Ų105.945%0.45150%0.502SS..Hα-helixtrans-67.1-50.6171.1-72.6162.9000109.9Q1114 K1115 E1120 L1121 E1122Q1114-I1118 VanDerWaalsContact O-CG1 3.3Å; Q1114-I1118 WeakPolarHBondContact O-CG1 3.26Å; Q1114-I1118 PolarHBondContact O-N 2.89Å; K1115-I1118 PolarHBondContact O-N 2.78Å; I1118-E1120 PolarHBondContact O-N 2.83Å; I1118-L1121 CarbonylContact O-C 3.57Å; I1118-L1121 WeakPolarHBondContact O-CA 3.47Å; I1118-L1121 WeakPolarHBondContact O-CB 3.47Å; I1118-L1121 PolarHBondContact O-N 3.4Å; I1118-E1122 HydrophobicContact CG2-CG 4.19Å; I1118-E1122 WeakPolarHBondContact O-CG 3.49Å; I1118-E1122 PolarHBondContact O-N 2.71Å
1119H91.5Very high91.5Very high107 Ų107102.2 Ų102.250%0.49550%0.497SS..Hα-helixtrans-59.9-42.1178.9-66.5-37.5000113K1115 W1116 L1121 E1122 D1123K1115-H1119 PolarHBondContact O-CD2 2.82Å; K1115-H1119 PolarHBondContact O-N 3.47Å; W1116-H1119 PolarHBondContact O-N 3.22Å; H1119-L1121 VanDerWaalsContact C-N 3.26Å; H1119-L1121 PolarHBondContact O-N 3.46Å; H1119-E1122 IonicContact CE1-OE2 3.54Å; H1119-E1122 IonicContact CG-OE2 2.63Å; H1119-E1122 IonicContact ND1-OE2 3.87Å; H1119-E1122 PolarHBondContact ND1-OE2 3.23Å; H1119-E1122 PolarHBondContact O-N 3.27Å; H1119-E1122 VanDerWaalsContact O-N 3.15Å; H1119-D1123 PolarHBondContact O-N 3.21Å
1120E91.3Very high91.6Very high96 Ų96102.1 Ų102.145%0.44950%0.496SS..Hα-helixtrans-56.8-37.1171.7170.565.7-145.700112.6W1116 K1117 I1118 Q1124W1116-E1120 PolarHBondContact O-N 3.24Å; K1117-E1120 HydrophobicContact CD-CB 4.48Å; K1117-E1120 HydrophobicContact CD-CG 4.38Å; I1118-E1120 PolarHBondContact O-N 2.83Å; E1120-Q1124 VanDerWaalsContact O-CG 3.27Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.38Å; E1120-Q1124 PolarHBondContact O-N 2.82Å; E1120-Q1124 PolarHBondContact OE1-NE2 3.04Å
1121L91.6Very high91.7Very high82 Ų82105.9 Ų105.943%0.42950%0.502SS..Hα-helixtrans-78.3-32.9176.7-70.2169.8000112.4K1117 I1118 H1119 Q1124 V1125K1117-L1121 HydrophobicContact CG-CD1 4.46Å; K1117-L1121 WeakPolarHBondContact O-CD1 3.37Å; K1117-L1121 VanDerWaalsContact O-CG 3.28Å; K1117-L1121 WeakPolarHBondContact O-CG 3.47Å; K1117-L1121 PolarHBondContact O-N 3.27Å; I1118-L1121 CarbonylContact O-C 3.57Å; I1118-L1121 WeakPolarHBondContact O-CA 3.47Å; I1118-L1121 WeakPolarHBondContact O-CB 3.47Å; I1118-L1121 PolarHBondContact O-N 3.4Å; H1119-L1121 VanDerWaalsContact C-N 3.26Å; H1119-L1121 PolarHBondContact O-N 3.46Å; L1121-Q1124 PolarHBondContact O-N 2.97Å; L1121-V1125 WeakPolarHBondContact O-CB 3.47Å; L1121-V1125 VanDerWaalsContact O-CG2 3.3Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.2Å; L1121-V1125 PolarHBondContact O-N 2.87Å
1122E92.3Very high91.7Very high94 Ų94106.7 Ų106.744%0.43951%0.506SS..Hα-helixtrans-63-46.7172.6-70.4170.8154.800110.7I1118 H1119 Q1124 V1125 I1126I1118-E1122 HydrophobicContact CG2-CG 4.19Å; I1118-E1122 WeakPolarHBondContact O-CG 3.49Å; I1118-E1122 PolarHBondContact O-N 2.71Å; H1119-E1122 IonicContact CE1-OE2 3.54Å; H1119-E1122 IonicContact CG-OE2 2.63Å; H1119-E1122 IonicContact ND1-OE2 3.87Å; H1119-E1122 PolarHBondContact ND1-OE2 3.23Å; H1119-E1122 PolarHBondContact O-N 3.27Å; H1119-E1122 VanDerWaalsContact O-N 3.15Å; E1122-Q1124 PolarHBondContact O-N 2.86Å; E1122-V1125 CarbonylContact O-C 3.57Å; E1122-V1125 PolarHBondContact O-N 3.43Å; E1122-V1125 VanDerWaalsContact O-N 3.15Å; E1122-I1126 VanDerWaalsContact O-CG1 3.28Å; E1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; E1122-I1126 PolarHBondContact O-N 2.98Å
1123D91.3Very high91.7Very high107 Ų107103 Ų10357%0.57249%0.493SS*.Hα-helixtrans-61.3-41.8175.2-79.2-26.2000112.1H1119 I1126 H1127H1119-D1123 PolarHBondContact O-N 3.21Å; D1123-I1126 PolarHBondContact O-N 2.96Å; D1123-H1127 WeakPolarHBondContact O-CB 3.46Å; D1123-H1127 PolarHBondContact O-N 3.37Å
1124Q93.8Very high91.7Very high71 Ų7197.3 Ų97.333%0.33247%0.473SS..Hα-helixtrans-61.5-43.3172.9-73.8179.528.200111.8E1120 L1121 E1122 H1127 Y1128E1120-Q1124 VanDerWaalsContact O-CG 3.27Å; E1120-Q1124 WeakPolarHBondContact O-CG 3.38Å; E1120-Q1124 PolarHBondContact O-N 2.82Å; E1120-Q1124 PolarHBondContact OE1-NE2 3.04Å; L1121-Q1124 PolarHBondContact O-N 2.97Å; E1122-Q1124 PolarHBondContact O-N 2.86Å; Q1124-H1127 PolarHBondContact O-N 3.33Å; Q1124-Y1128 HydrophobicContact CB-CE2 4.42Å; Q1124-Y1128 WeakPolarHBondContact O-CD2 3.42Å; Q1124-Y1128 PolarHBondContact O-N 2.94Å
1125V92Very high91.7Very high90 Ų9096.5 Ų96.555%0.54547%0.471SS..Hα-helixtrans-64.2-40.2175.9167.30000111.4L1121 E1122 Y1128 T1129L1121-V1125 WeakPolarHBondContact O-CB 3.47Å; L1121-V1125 VanDerWaalsContact O-CG2 3.3Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.2Å; L1121-V1125 PolarHBondContact O-N 2.87Å; E1122-V1125 CarbonylContact O-C 3.57Å; E1122-V1125 PolarHBondContact O-N 3.43Å; E1122-V1125 VanDerWaalsContact O-N 3.15Å; V1125-Y1128 PolarHBondContact O-N 3.32Å; V1125-T1129 VanDerWaalsContact O-CB 3.28Å; V1125-T1129 WeakPolarHBondContact O-CB 3.29Å; V1125-T1129 PolarHBondContact O-N 3.03Å; V1125-T1129 PolarHBondContact O-OG1 3.26Å
1126I91Very high91.7Very high102 Ų10296 Ų9652%0.52347%0.471SS..Hα-helixtrans-62.7-43.9175.4-70162.6000110.7E1122 D1123 T1129 S1130E1122-I1126 VanDerWaalsContact O-CG1 3.28Å; E1122-I1126 WeakPolarHBondContact O-CG1 3.41Å; E1122-I1126 PolarHBondContact O-N 2.98Å; D1123-I1126 PolarHBondContact O-N 2.96Å; I1126-T1129 PolarHBondContact O-N 3.16Å; I1126-S1130 WeakPolarHBondContact O-CB 3.47Å; I1126-S1130 PolarHBondContact O-N 2.99Å; I1126-S1130 PolarHBondContact O-OG 3.13Å
1127H92.5Very high91.7Very high108 Ų10894.1 Ų94.150%0.546%0.463SS..Hα-helixtrans-62.2-47.5174.8165.5-101.8000112.2D1123 Q1124 S1130 R1131D1123-H1127 WeakPolarHBondContact O-CB 3.46Å; D1123-H1127 PolarHBondContact O-N 3.37Å; Q1124-H1127 PolarHBondContact O-N 3.33Å; H1127-S1130 PolarHBondContact O-N 3.38Å; H1127-R1131 WeakPolarHBondContact O-CB 3.44Å; H1127-R1131 PolarHBondContact O-N 3.35Å
1128Y92.5Very high91.7Very high130 Ų13096 Ų9651%0.5147%0.468SS..Hα-helixtrans-66.1-39.1177.9-74.2-59.4000112.5Q1124 V1125 R1131 I1132Q1124-Y1128 HydrophobicContact CB-CE2 4.42Å; Q1124-Y1128 WeakPolarHBondContact O-CD2 3.42Å; Q1124-Y1128 PolarHBondContact O-N 2.94Å; V1125-Y1128 PolarHBondContact O-N 3.32Å; Y1128-R1131 WeakPolarHBondContact O-CB 3.25Å; Y1128-R1131 PolarHBondContact O-N 2.87Å; Y1128-I1132 VanDerWaalsContact O-CG1 3.28Å; Y1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; Y1128-I1132 PolarHBondContact O-N 3.17Å
1129T95.2Very high91.7Very high74 Ų7494.7 Ų94.745%0.45447%0.467SS..Hα-helixtrans-61.8-46.1174.5-56.20000110.6V1125 I1126 R1131 I1132 S1133V1125-T1129 VanDerWaalsContact O-CB 3.28Å; V1125-T1129 WeakPolarHBondContact O-CB 3.29Å; V1125-T1129 PolarHBondContact O-N 3.03Å; V1125-T1129 PolarHBondContact O-OG1 3.26Å; I1126-T1129 PolarHBondContact O-N 3.16Å; T1129-R1131 VanDerWaalsContact C-N 3.29Å; T1129-R1131 PolarHBondContact O-N 3.33Å; T1129-I1132 PolarHBondContact O-N 3.48Å; T1129-I1132 VanDerWaalsContact O-N 3.15Å; T1129-S1133 PolarHBondContact O-N 3.34Å
1130S91.3Very high91.6Very high74 Ų7495 Ų9552%0.51747%0.471SS..Hα-helixtrans-60.3-38.8175.7-590000112.3I1126 H1127 G1134I1126-S1130 WeakPolarHBondContact O-CB 3.47Å; I1126-S1130 PolarHBondContact O-N 2.99Å; I1126-S1130 PolarHBondContact O-OG 3.13Å; H1127-S1130 PolarHBondContact O-N 3.38Å; S1130-G1134 PolarHBondContact O-N 3.18Å
1131R94Very high91.5Very high154 Ų15495 Ų9558%0.58147%0.474SS*.Hα-helixtrans-68.3-38.6174.7176174.9170.6145.5-3.2112.5H1127 Y1128 T1129 G1134 L1135H1127-R1131 WeakPolarHBondContact O-CB 3.44Å; H1127-R1131 PolarHBondContact O-N 3.35Å; Y1128-R1131 WeakPolarHBondContact O-CB 3.25Å; Y1128-R1131 PolarHBondContact O-N 2.87Å; T1129-R1131 VanDerWaalsContact C-N 3.29Å; T1129-R1131 PolarHBondContact O-N 3.33Å; R1131-G1134 CarbonylContact O-C 3.33Å; R1131-G1134 PolarHBondContact O-N 3.22Å; R1131-L1135 HydrophobicContact CG-CD1 4.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.38Å; R1131-L1135 PolarHBondContact O-N 3.41Å
1132I90.6Very high91.4Very high87 Ų8796.2 Ų96.245%0.44648%0.48SS..Hα-helixtrans-63-50.5174.4-72.6162.7000109.5Y1128 T1129 G1134 L1135 E1136Y1128-I1132 VanDerWaalsContact O-CG1 3.28Å; Y1128-I1132 WeakPolarHBondContact O-CG1 3.48Å; Y1128-I1132 PolarHBondContact O-N 3.17Å; T1129-I1132 PolarHBondContact O-N 3.48Å; T1129-I1132 VanDerWaalsContact O-N 3.15Å; I1132-G1134 PolarHBondContact O-N 3.08Å; I1132-G1134 VanDerWaalsContact O-N 3.13Å; I1132-L1135 CarbonylContact O-C 3.47Å; I1132-L1135 WeakPolarHBondContact O-CA 3.34Å; I1132-L1135 WeakPolarHBondContact O-CB 3.41Å; I1132-L1135 PolarHBondContact O-N 3.07Å; I1132-E1136 HydrophobicContact CG2-CG 4.09Å; I1132-E1136 WeakPolarHBondContact O-CG 3.14Å; I1132-E1136 PolarHBondContact O-N 3.4Å
1133S89.5Confident91.3Very high45 Ų4595.8 Ų95.832%0.31548%0.481SS..Hα-helixtrans-70.3-10.6176.6-570000114.6T1129 E1136 R1137T1129-S1133 PolarHBondContact O-N 3.34Å; S1133-E1136 WeakPolarHBondContact CA-OE2 3.31Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.27Å; S1133-E1136 PolarHBondContact OG-OE2 3.4Å; S1133-R1137 PolarHBondContact O-NE 3.46Å; S1133-R1137 PolarHBondContact O-NH2 3Å
1134G90.7Very high91.1Very high21 Ų2192.4 Ų92.422%0.21647%0.468CS..Hα-helixtrans-88.7-9.2164.300000114.6S1130 R1131 I1132 R1138S1130-G1134 PolarHBondContact O-N 3.18Å; R1131-G1134 CarbonylContact O-C 3.33Å; R1131-G1134 PolarHBondContact O-N 3.22Å; I1132-G1134 PolarHBondContact O-N 3.08Å; I1132-G1134 VanDerWaalsContact O-N 3.13Å; G1134-R1138 PolarHBondContact O-NE 3.33Å; G1134-R1138 PolarHBondContact O-NH2 2.81Å; G1134-R1138 VanDerWaalsContact O-NH2 3.15Å
1135L90.5Very high90.8Very high86 Ų8694.3 Ų94.345%0.4548%0.477SS..Hα-helixtrans-96.4-42.6169.5-75.8160.9000110.7R1131 I1132 R1137 R1138 S1139R1131-L1135 HydrophobicContact CG-CD1 4.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.38Å; R1131-L1135 PolarHBondContact O-N 3.41Å; I1132-L1135 CarbonylContact O-C 3.47Å; I1132-L1135 WeakPolarHBondContact O-CA 3.34Å; I1132-L1135 WeakPolarHBondContact O-CB 3.41Å; I1132-L1135 PolarHBondContact O-N 3.07Å; L1135-R1137 PolarHBondContact O-N 2.96Å; L1135-R1138 VanDerWaalsContact CD2-NH2 3.33Å; L1135-R1138 CarbonylContact O-C 3.3Å; L1135-R1138 PolarHBondContact O-N 3.22Å; L1135-R1138 VanDerWaalsContact O-N 3.09Å; L1135-S1139 PolarHBondContact O-N 3.48Å
1136E91.4Very high90.6Very high100 Ų10094 Ų9447%0.46747%0.472SS..Hα-helixtrans-55.5-48.4175.5-68168.9146.400111.4I1132 S1133 R1138 S1139 I1140I1132-E1136 HydrophobicContact CG2-CG 4.09Å; I1132-E1136 WeakPolarHBondContact O-CG 3.14Å; I1132-E1136 PolarHBondContact O-N 3.4Å; S1133-E1136 WeakPolarHBondContact CA-OE2 3.31Å; S1133-E1136 WeakPolarHBondContact CB-OE2 3.27Å; S1133-E1136 PolarHBondContact OG-OE2 3.4Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 3.43Å; E1136-S1139 WeakPolarHBondContact O-CB 3.28Å; E1136-S1139 PolarHBondContact O-N 3Å; E1136-S1139 VanDerWaalsContact O-N 3.1Å; E1136-I1140 WeakPolarHBondContact O-CG1 3.43Å; E1136-I1140 PolarHBondContact O-N 3.29Å
1137R90.7Very high90.5Very high159 Ų15993.6 Ų93.660%0.647%0.474SS*.Hα-helixtrans-55.7-46.8173.4-86177-77.9175.5-6.5112.3S1133 L1135 S1139 I1140 D1141S1133-R1137 PolarHBondContact O-NE 3.46Å; S1133-R1137 PolarHBondContact O-NH2 3Å; L1135-R1137 PolarHBondContact O-N 2.96Å; R1137-S1139 VanDerWaalsContact C-N 3.31Å; R1137-S1139 PolarHBondContact O-N 3.19Å; R1137-I1140 PolarHBondContact O-N 2.98Å; R1137-I1140 VanDerWaalsContact O-N 3.17Å; R1137-D1141 VanDerWaalsContact O-CG 3.23Å; R1137-D1141 PolarHBondContact O-N 3.37Å; R1137-D1141 VanDerWaalsContact O-OD2 3.1Å
1138R92.9Very high90.1Very high140 Ų14094.8 Ų94.853%0.52847%0.474SS..Hα-helixtrans-66.4-30176.7-79.5-177.6-71.7164-3.1113.3G1134 L1135 E1136 L1142G1134-R1138 PolarHBondContact O-NE 3.33Å; G1134-R1138 PolarHBondContact O-NH2 2.81Å; G1134-R1138 VanDerWaalsContact O-NH2 3.15Å; L1135-R1138 VanDerWaalsContact CD2-NH2 3.33Å; L1135-R1138 CarbonylContact O-C 3.3Å; L1135-R1138 PolarHBondContact O-N 3.22Å; L1135-R1138 VanDerWaalsContact O-N 3.09Å; E1136-R1138 VanDerWaalsContact C-N 3.35Å; E1136-R1138 PolarHBondContact O-N 3.43Å; R1138-L1142 WeakPolarHBondContact O-CB 3.43Å; R1138-L1142 WeakPolarHBondContact O-CD1 3.34Å; R1138-L1142 WeakPolarHBondContact O-CG 3.43Å; R1138-L1142 PolarHBondContact O-N 3.49Å
1139S89.3Confident89.7Confident62 Ų6291.1 Ų91.143%0.43447%0.471SS..Hα-helixtrans-64.9-49.3170.2-161.60000110L1135 E1136 R1137 D1141 L1142 D1143L1135-S1139 PolarHBondContact O-N 3.48Å; E1136-S1139 WeakPolarHBondContact O-CB 3.28Å; E1136-S1139 PolarHBondContact O-N 3Å; E1136-S1139 VanDerWaalsContact O-N 3.1Å; R1137-S1139 VanDerWaalsContact C-N 3.31Å; R1137-S1139 PolarHBondContact O-N 3.19Å; S1139-D1141 VanDerWaalsContact C-N 3.3Å; S1139-D1141 PolarHBondContact O-N 2.57Å; S1139-L1142 CarbonylContact O-C 3.45Å; S1139-L1142 PolarHBondContact O-N 2.85Å; S1139-L1142 VanDerWaalsContact O-N 3.13Å; S1139-D1143 WeakPolarHBondContact O-CB 3.47Å; S1139-D1143 PolarHBondContact O-N 2.93Å; S1139-D1143 PolarHBondContact OG-OD2 3.15Å
1140I89.5Confident89.2Confident114 Ų11494.2 Ų94.259%0.58548%0.477SS*.Hα-helixtrans-59.5-40.6177.9-64.4161.9000111.3E1136 R1137 A1144E1136-I1140 WeakPolarHBondContact O-CG1 3.43Å; E1136-I1140 PolarHBondContact O-N 3.29Å; R1137-I1140 PolarHBondContact O-N 2.98Å; R1137-I1140 VanDerWaalsContact O-N 3.17Å; I1140-A1144 VanDerWaalsContact O-CB 3.29Å; I1140-A1144 WeakPolarHBondContact O-CB 3.35Å; I1140-A1144 PolarHBondContact O-N 3.25Å
1141D89Confident88.7Confident95 Ų9593.4 Ų93.451%0.50848%0.475SS..Hα-helixtrans-62.9-45.4174.9-65.8-40.1000111.7R1137 S1139 A1144 E1145R1137-D1141 VanDerWaalsContact O-CG 3.23Å; R1137-D1141 PolarHBondContact O-N 3.37Å; R1137-D1141 VanDerWaalsContact O-OD2 3.1Å; S1139-D1141 VanDerWaalsContact C-N 3.3Å; S1139-D1141 PolarHBondContact O-N 2.57Å; D1141-A1144 PolarHBondContact O-N 3.01Å; D1141-E1145 PolarHBondContact O-N 3.11Å
1142L90.3Very high88.2Confident108 Ų10891.5 Ų91.557%0.56548%0.477SS*.Hα-helixtrans-69.3-36.8177.4-74.7169.1000112.9R1138 S1139 A1144 E1145 L1146R1138-L1142 WeakPolarHBondContact O-CB 3.43Å; R1138-L1142 WeakPolarHBondContact O-CD1 3.34Å; R1138-L1142 WeakPolarHBondContact O-CG 3.43Å; R1138-L1142 PolarHBondContact O-N 3.49Å; S1139-L1142 CarbonylContact O-C 3.45Å; S1139-L1142 PolarHBondContact O-N 2.85Å; S1139-L1142 VanDerWaalsContact O-N 3.13Å; L1142-A1144 VanDerWaalsContact C-N 3.32Å; L1142-E1145 CarbonylContact O-C 3.58Å; L1142-E1145 PolarHBondContact O-N 3.47Å; L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 PolarHBondContact O-N 3.21Å
1143D89.4Confident87.7Confident84 Ų8492.1 Ų92.145%0.44948%0.48SS..Hα-helixtrans-66.6-37.3173.6-76.9-52.7000110.1S1139 L1146 V1147S1139-D1143 WeakPolarHBondContact O-CB 3.47Å; S1139-D1143 PolarHBondContact O-N 2.93Å; S1139-D1143 PolarHBondContact OG-OD2 3.15Å; D1143-L1146 PolarHBondContact O-N 3.05Å; D1143-V1147 WeakPolarHBondContact O-CB 3.44Å; D1143-V1147 VanDerWaalsContact O-CG2 3.28Å; D1143-V1147 WeakPolarHBondContact O-CG2 3.43Å; D1143-V1147 PolarHBondContact O-N 3.1Å
1144A87.9Confident87.3Confident36 Ų3693.2 Ų93.230%0.29849%0.488SS..Hα-helixtrans-67.9-36.5171.200000112.5I1140 D1141 L1142 R1148I1140-A1144 VanDerWaalsContact O-CB 3.29Å; I1140-A1144 WeakPolarHBondContact O-CB 3.35Å; I1140-A1144 PolarHBondContact O-N 3.25Å; D1141-A1144 PolarHBondContact O-N 3.01Å; L1142-A1144 VanDerWaalsContact C-N 3.32Å; A1144-R1148 WeakPolarHBondContact O-CB 3.45Å; A1144-R1148 WeakPolarHBondContact O-CG 3.36Å; A1144-R1148 PolarHBondContact O-N 2.79Å
1145E87.1Confident86.6Confident112 Ų11294.5 Ų94.552%0.52350%0.496SS..Hα-helixtrans-65-40.3169.2-74.3-172.4170.300112.3D1141 L1142 R1148 A1149D1141-E1145 PolarHBondContact O-N 3.11Å; L1142-E1145 CarbonylContact O-C 3.58Å; L1142-E1145 PolarHBondContact O-N 3.47Å; E1145-R1148 WeakPolarHBondContact O-CB 3.37Å; E1145-R1148 PolarHBondContact O-N 3.44Å; E1145-A1149 WeakPolarHBondContact O-CB 3.32Å; E1145-A1149 PolarHBondContact O-N 3.44Å
1146L87.3Confident85.9Confident84 Ų8493.9 Ų93.944%0.4450%0.5SS..Hα-helixtrans-69.4-34.4178.4-169.9152.8000111.3L1142 D1143 K1150L1142-L1146 VanDerWaalsContact O-CB 3.25Å; L1142-L1146 WeakPolarHBondContact O-CB 3.41Å; L1142-L1146 PolarHBondContact O-N 3.21Å; D1143-L1146 PolarHBondContact O-N 3.05Å; L1146-K1150 HydrophobicContact CD2-CD 3.77Å; L1146-K1150 HydrophobicContact CD2-CG 4.3Å; L1146-K1150 VanDerWaalsContact CD2-NZ 3.32Å; L1146-K1150 VanDerWaalsContact O-CB 3.27Å; L1146-K1150 WeakPolarHBondContact O-CB 3.46Å; L1146-K1150 VanDerWaalsContact O-CG 3.29Å; L1146-K1150 WeakPolarHBondContact O-CG 3.37Å; L1146-K1150 PolarHBondContact O-N 2.91Å
1147V88.2Confident85.3Confident93 Ų9397.4 Ų97.456%0.56451%0.509SS*.Hα-helixtrans-67.5-43.3169.4167.30000111.2D1143 K1150 A1151D1143-V1147 WeakPolarHBondContact O-CB 3.44Å; D1143-V1147 VanDerWaalsContact O-CG2 3.28Å; D1143-V1147 WeakPolarHBondContact O-CG2 3.43Å; D1143-V1147 PolarHBondContact O-N 3.1Å; V1147-K1150 PolarHBondContact O-N 2.91Å; V1147-A1151 WeakPolarHBondContact O-CB 3.38Å; V1147-A1151 PolarHBondContact O-N 2.81Å
1148R85.8Confident84.5Confident133 Ų13395.5 Ų95.550%0.50251%0.507SS..Hα-helixtrans-59.1-51.4172.8-76-177.6-71.6-94.87111.3A1144 E1145 K1150 A1151 D1152A1144-R1148 WeakPolarHBondContact O-CB 3.45Å; A1144-R1148 WeakPolarHBondContact O-CG 3.36Å; A1144-R1148 PolarHBondContact O-N 2.79Å; E1145-R1148 WeakPolarHBondContact O-CB 3.37Å; E1145-R1148 PolarHBondContact O-N 3.44Å; R1148-K1150 VanDerWaalsContact C-N 3.31Å; R1148-K1150 PolarHBondContact O-N 3.42Å; R1148-A1151 CarbonylContact O-C 3.44Å; R1148-A1151 WeakPolarHBondContact O-CA 3.26Å; R1148-A1151 WeakPolarHBondContact O-CB 3.35Å; R1148-A1151 PolarHBondContact O-N 3.24Å; R1148-D1152 PolarHBondContact O-N 3.01Å
1149A82.8Confident83.7Confident53 Ų5392.4 Ų92.444%0.43850%0.503SS..Hα-helixtrans-62.4-34.8177.300000112.9E1145 L1153E1145-A1149 WeakPolarHBondContact O-CB 3.32Å; E1145-A1149 PolarHBondContact O-N 3.44Å; A1149-L1153 WeakPolarHBondContact O-CB 3.32Å; A1149-L1153 PolarHBondContact O-N 3.17Å
1150K85.6Confident82.7Confident138 Ų13891.3 Ų91.360%0.650%0.498SS*.Hα-helixtrans-65.9-38.6169.7-84.4176.2178.3164.50112L1146 V1147 R1148 S1154L1146-K1150 HydrophobicContact CD2-CD 3.77Å; L1146-K1150 HydrophobicContact CD2-CG 4.3Å; L1146-K1150 VanDerWaalsContact CD2-NZ 3.32Å; L1146-K1150 VanDerWaalsContact O-CB 3.27Å; L1146-K1150 WeakPolarHBondContact O-CB 3.46Å; L1146-K1150 VanDerWaalsContact O-CG 3.29Å; L1146-K1150 WeakPolarHBondContact O-CG 3.37Å; L1146-K1150 PolarHBondContact O-N 2.91Å; V1147-K1150 PolarHBondContact O-N 2.91Å; R1148-K1150 VanDerWaalsContact C-N 3.31Å; R1148-K1150 PolarHBondContact O-N 3.42Å; K1150-S1154 WeakPolarHBondContact O-CB 3.41Å; K1150-S1154 PolarHBondContact O-N 3.36Å
1151A81.1Confident81.7Confident57 Ų5788.4 Ų88.447%0.47149%0.488SS..Hα-helixtrans-67.5-43.9175.800000111.5V1147 R1148 S1154 A1155V1147-A1151 WeakPolarHBondContact O-CB 3.38Å; V1147-A1151 PolarHBondContact O-N 2.81Å; R1148-A1151 CarbonylContact O-C 3.44Å; R1148-A1151 WeakPolarHBondContact O-CA 3.26Å; R1148-A1151 WeakPolarHBondContact O-CB 3.35Å; R1148-A1151 PolarHBondContact O-N 3.24Å; A1151-S1154 CarbonylContact O-C 3.54Å; A1151-S1154 WeakPolarHBondContact O-CA 3.48Å; A1151-S1154 WeakPolarHBondContact O-CB 3.32Å; A1151-S1154 PolarHBondContact O-N 3.21Å; A1151-S1154 VanDerWaalsContact O-N 3.15Å; A1151-A1155 PolarHBondContact O-N 3.03Å
1152D83.6Confident80.7Confident115 Ų11589 Ų8962%0.61549%0.49SS*.Hα-helixtrans-62.3-43.8174.4-65.6-35.5000111.6R1148 S1154 A1155 S1156R1148-D1152 PolarHBondContact O-N 3.01Å; D1152-S1154 VanDerWaalsContact C-N 3.3Å; D1152-S1154 PolarHBondContact O-N 3.44Å; D1152-A1155 PolarHBondContact O-N 3.34Å; D1152-S1156 VanDerWaalsContact O-CB 3.27Å; D1152-S1156 WeakPolarHBondContact O-CB 3.34Å; D1152-S1156 PolarHBondContact O-N 3.16Å
1153L78.9Confident79.9Confident99 Ų9993.6 Ų93.652%0.51850%0.5SS..Hα-helixtrans-69.4-29.4175.6-161.5152.4000111.3A1149 R1157A1149-L1153 WeakPolarHBondContact O-CB 3.32Å; A1149-L1153 PolarHBondContact O-N 3.17Å; L1153-R1157 HydrophobicContact CD2-CG 4.07Å; L1153-R1157 VanDerWaalsContact O-CB 3.26Å; L1153-R1157 WeakPolarHBondContact O-CB 3.29Å; L1153-R1157 VanDerWaalsContact O-CG 3.29Å; L1153-R1157 WeakPolarHBondContact O-CG 3.49Å; L1153-R1157 PolarHBondContact O-N 2.71Å
1154S80.8Confident78.7Confident69 Ų6996 Ų9648%0.48350%0.503SS..Hα-helixtrans-69.2-45.3171-166.60000111.5K1150 A1151 D1152 S1156 R1157 E1158K1150-S1154 WeakPolarHBondContact O-CB 3.41Å; K1150-S1154 PolarHBondContact O-N 3.36Å; A1151-S1154 CarbonylContact O-C 3.54Å; A1151-S1154 WeakPolarHBondContact O-CA 3.48Å; A1151-S1154 WeakPolarHBondContact O-CB 3.32Å; A1151-S1154 PolarHBondContact O-N 3.21Å; A1151-S1154 VanDerWaalsContact O-N 3.15Å; D1152-S1154 VanDerWaalsContact C-N 3.3Å; D1152-S1154 PolarHBondContact O-N 3.44Å; S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact O-N 2.98Å; S1154-R1157 CarbonylContact O-C 3.59Å; S1154-R1157 WeakPolarHBondContact O-CB 3.5Å; S1154-R1157 PolarHBondContact O-N 3.25Å; S1154-E1158 VanDerWaalsContact O-CB 3.28Å; S1154-E1158 WeakPolarHBondContact O-CB 3.38Å; S1154-E1158 PolarHBondContact O-N 2.89Å
1155A76.5Confident77.3Confident47 Ų4796 Ų9639%0.38850%0.503SS..Hα-helixtrans-65.5-34.5174.500000112.1A1151 D1152 E1158 T1159A1151-A1155 PolarHBondContact O-N 3.03Å; D1152-A1155 PolarHBondContact O-N 3.34Å; A1155-E1158 PolarHBondContact O-N 3.25Å; A1155-T1159 WeakPolarHBondContact O-CB 3.37Å; A1155-T1159 WeakPolarHBondContact O-CG2 3.32Å; A1155-T1159 PolarHBondContact O-N 3Å; A1155-T1159 PolarHBondContact O-OG1 3.47Å
1156S76.9Confident76Confident74 Ų7493.3 Ų93.352%0.51750%0.5SS..Hα-helixtrans-68.2-41171.1-170.50000111.7D1152 S1154 T1159 A1160D1152-S1156 VanDerWaalsContact O-CB 3.27Å; D1152-S1156 WeakPolarHBondContact O-CB 3.34Å; D1152-S1156 PolarHBondContact O-N 3.16Å; S1154-S1156 VanDerWaalsContact C-N 3.32Å; S1154-S1156 PolarHBondContact O-N 2.98Å; S1156-T1159 WeakPolarHBondContact CA-OG1 3.27Å; S1156-T1159 PolarHBondContact O-OG1 3.33Å; S1156-T1159 VanDerWaalsContact O-OG1 3.11Å; S1156-A1160 VanDerWaalsContact O-CB 3.22Å; S1156-A1160 WeakPolarHBondContact O-CB 3.49Å; S1156-A1160 PolarHBondContact O-N 2.85Å
1157R77.5Confident74.9Confident174 Ų17497.1 Ų97.166%0.65751%0.513SS*.Hα-helixtrans-65.8-36.7171.3-83.5179.3172.9-170.5-1.5112.4L1153 S1154 A1160 S1161L1153-R1157 HydrophobicContact CD2-CG 4.07Å; L1153-R1157 VanDerWaalsContact O-CB 3.26Å; L1153-R1157 WeakPolarHBondContact O-CB 3.29Å; L1153-R1157 VanDerWaalsContact O-CG 3.29Å; L1153-R1157 WeakPolarHBondContact O-CG 3.49Å; L1153-R1157 PolarHBondContact O-N 2.71Å; S1154-R1157 CarbonylContact O-C 3.59Å; S1154-R1157 WeakPolarHBondContact O-CB 3.5Å; S1154-R1157 PolarHBondContact O-N 3.25Å; R1157-A1160 CarbonylContact O-C 3.59Å; R1157-A1160 PolarHBondContact O-N 2.82Å; R1157-S1161 WeakPolarHBondContact O-CA 3.43Å; R1157-S1161 VanDerWaalsContact O-CB 3.23Å; R1157-S1161 WeakPolarHBondContact O-CB 3.29Å; R1157-S1161 PolarHBondContact O-N 3.26Å
1158E75.2Confident73.4Confident119 Ų11995.7 Ų95.756%0.55651%0.505SS*.Hα-helixtrans-72.3-46179.6-175.3179.1-176.400110.5S1154 A1155 A1160 S1161 L1162S1154-E1158 VanDerWaalsContact O-CB 3.28Å; S1154-E1158 WeakPolarHBondContact O-CB 3.38Å; S1154-E1158 PolarHBondContact O-N 2.89Å; A1155-E1158 PolarHBondContact O-N 3.25Å; E1158-A1160 VanDerWaalsContact C-N 3.3Å; E1158-A1160 PolarHBondContact O-N 3.48Å; E1158-S1161 CarbonylContact O-C 3.6Å; E1158-S1161 WeakPolarHBondContact O-CA 3.5Å; E1158-S1161 WeakPolarHBondContact O-CB 3.21Å; E1158-S1161 PolarHBondContact O-N 3.34Å; E1158-L1162 HydrophobicContact CG-CD1 4.4Å; E1158-L1162 WeakPolarHBondContact O-CG 3.44Å; E1158-L1162 PolarHBondContact O-N 3.23Å
1159T75.4Confident71.9Confident75 Ų7598.3 Ų98.346%0.4651%0.514SS..Hα-helixtrans-63.4-35.8171.751.40000111.9A1155 S1156 S1161 L1162 R1163A1155-T1159 WeakPolarHBondContact O-CB 3.37Å; A1155-T1159 WeakPolarHBondContact O-CG2 3.32Å; A1155-T1159 PolarHBondContact O-N 3Å; A1155-T1159 PolarHBondContact O-OG1 3.47Å; S1156-T1159 WeakPolarHBondContact CA-OG1 3.27Å; S1156-T1159 PolarHBondContact O-OG1 3.33Å; S1156-T1159 VanDerWaalsContact O-OG1 3.11Å; T1159-S1161 VanDerWaalsContact C-N 3.33Å; T1159-L1162 PolarHBondContact O-N 2.95Å; T1159-R1163 WeakPolarHBondContact O-CG 3.35Å; T1159-R1163 PolarHBondContact O-N 3.45Å
1160A68.5Low70.4Confident39 Ų39102.8 Ų102.832%0.32253%0.528SS..Hα-helixtrans-68.9-28.7167.800000113.1S1156 R1157 E1158 R1164S1156-A1160 VanDerWaalsContact O-CB 3.22Å; S1156-A1160 WeakPolarHBondContact O-CB 3.49Å; S1156-A1160 PolarHBondContact O-N 2.85Å; R1157-A1160 CarbonylContact O-C 3.59Å; R1157-A1160 PolarHBondContact O-N 2.82Å; E1158-A1160 VanDerWaalsContact C-N 3.3Å; E1158-A1160 PolarHBondContact O-N 3.48Å; A1160-R1164 PolarHBondContact O-N 2.69Å
1161S68Low68.8Low53 Ų5398.5 Ų98.537%0.37152%0.518SS..Hα-helixtrans-78.1-29.8175.3-137.60000112.2R1157 E1158 T1159 R1164 A1165R1157-S1161 WeakPolarHBondContact O-CA 3.43Å; R1157-S1161 VanDerWaalsContact O-CB 3.23Å; R1157-S1161 WeakPolarHBondContact O-CB 3.29Å; R1157-S1161 PolarHBondContact O-N 3.26Å; E1158-S1161 CarbonylContact O-C 3.6Å; E1158-S1161 WeakPolarHBondContact O-CA 3.5Å; E1158-S1161 WeakPolarHBondContact O-CB 3.21Å; E1158-S1161 PolarHBondContact O-N 3.34Å; T1159-S1161 VanDerWaalsContact C-N 3.33Å; S1161-R1164 CarbonylContact O-C 3.56Å; S1161-R1164 PolarHBondContact O-N 2.84Å; S1161-R1164 PolarHBondContact OG-NH1 3.32Å; S1161-A1165 WeakPolarHBondContact O-CB 3.27Å; S1161-A1165 PolarHBondContact O-N 3.26Å
1162L69.2Low67.2Low107 Ų10799.4 Ų99.456%0.5652%0.515SS*.Hα-helixtrans-72.3-37.9170.6-71.9167000110.2E1158 T1159 A1166E1158-L1162 HydrophobicContact CG-CD1 4.4Å; E1158-L1162 WeakPolarHBondContact O-CG 3.44Å; E1158-L1162 PolarHBondContact O-N 3.23Å; T1159-L1162 PolarHBondContact O-N 2.95Å; L1162-A1166 VanDerWaalsContact O-CB 3.26Å; L1162-A1166 WeakPolarHBondContact O-CB 3.25Å; L1162-A1166 PolarHBondContact O-N 2.87Å
1163R72.4Confident65.6Low204 Ų204102 Ų10277%0.7752%0.524SS*.Hα-helixtrans-63.8-40.2168.1-70.4177-166.6-152.15.5112T1159 K1167T1159-R1163 WeakPolarHBondContact O-CG 3.35Å; T1159-R1163 PolarHBondContact O-N 3.45Å; R1163-K1167 PolarHBondContact O-N 2.81Å
1164R64.7Low64.1Low135 Ų135107.8 Ų107.851%0.50954%0.539SS..Hα-helixtrans-64.8-53.9171.7-90.6-176.5-85.394.74.9110.8A1160 S1161 A1166 K1167 T1168A1160-R1164 PolarHBondContact O-N 2.69Å; S1161-R1164 CarbonylContact O-C 3.56Å; S1161-R1164 PolarHBondContact O-N 2.84Å; S1161-R1164 PolarHBondContact OG-NH1 3.32Å; R1164-A1166 VanDerWaalsContact C-N 3.3Å; R1164-A1166 PolarHBondContact O-N 3.26Å; R1164-K1167 CarbonylContact O-C 3.54Å; R1164-K1167 VanDerWaalsContact O-CA 3.24Å; R1164-K1167 WeakPolarHBondContact O-CA 3.35Å; R1164-K1167 VanDerWaalsContact O-CB 3.25Å; R1164-K1167 WeakPolarHBondContact O-CB 3.48Å; R1164-K1167 PolarHBondContact O-N 3.44Å; R1164-T1168 PolarHBondContact O-N 3.3Å; R1164-T1168 PolarHBondContact O-OG1 3.36Å
1165A57.2Low62.5Low35 Ų35111.4 Ų111.429%0.28955%0.552SS.*Hα-helixtrans-63.3-26.2-179.500000114.2S1161 K1167 T1168 R1169S1161-A1165 WeakPolarHBondContact O-CB 3.27Å; S1161-A1165 PolarHBondContact O-N 3.26Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å; A1165-T1168 WeakPolarHBondContact CA-OG1 3.35Å; A1165-T1168 PolarHBondContact O-N 3.27Å; A1165-R1169 WeakPolarHBondContact O-CB 3.37Å; A1165-R1169 WeakPolarHBondContact O-CG 3.43Å; A1165-R1169 PolarHBondContact O-N 2.63Å
1166A61Low60.9Low56 Ų56116.1 Ų116.146%0.46357%0.571SS.*Hα-helixtrans-66.7-36.8167.300000111.6L1162 R1164L1162-A1166 VanDerWaalsContact O-CB 3.26Å; L1162-A1166 WeakPolarHBondContact O-CB 3.25Å; L1162-A1166 PolarHBondContact O-N 2.87Å; R1164-A1166 VanDerWaalsContact C-N 3.3Å; R1164-A1166 PolarHBondContact O-N 3.26Å
1167K64.2Low59.5Low164 Ų164119.1 Ų119.171%0.71358%0.58SS**Hα-helixtrans-78.8-30.5172.8-167.2-179.5-179.2-176.30112.6R1163 R1164 A1165 M1170R1163-K1167 PolarHBondContact O-N 2.81Å; R1164-K1167 CarbonylContact O-C 3.54Å; R1164-K1167 VanDerWaalsContact O-CA 3.24Å; R1164-K1167 WeakPolarHBondContact O-CA 3.35Å; R1164-K1167 VanDerWaalsContact O-CB 3.25Å; R1164-K1167 WeakPolarHBondContact O-CB 3.48Å; R1164-K1167 PolarHBondContact O-N 3.44Å; A1165-K1167 VanDerWaalsContact C-N 3.33Å; K1167-M1170 PolarHBondContact O-N 2.91Å
1168T56.7Low57.7Low64 Ų64118.8 Ų118.839%0.39359%0.59SS.*Hα-helixtrans-71.4-40.3173.4-32.70000109.8R1164 A1165 M1170 A1171 D1172R1164-T1168 PolarHBondContact O-N 3.3Å; R1164-T1168 PolarHBondContact O-OG1 3.36Å; A1165-T1168 WeakPolarHBondContact CA-OG1 3.35Å; A1165-T1168 PolarHBondContact O-N 3.27Å; T1168-M1170 PolarHBondContact O-N 3.22Å; T1168-M1170 VanDerWaalsContact O-N 3.12Å; T1168-A1171 CarbonylContact O-C 3.59Å; T1168-A1171 VanDerWaalsContact O-C 3.3Å; T1168-A1171 VanDerWaalsContact O-CA 3.26Å; T1168-A1171 WeakPolarHBondContact O-CA 3.23Å; T1168-A1171 WeakPolarHBondContact O-CB 3.33Å; T1168-A1171 PolarHBondContact O-N 2.6Å; T1168-D1172 WeakPolarHBondContact CG2-OD1 3.5Å; T1168-D1172 PolarHBondContact O-N 3.47Å
1169R53.7Low55.8Low187 Ų187120.3 Ų120.371%0.70660%0.602SS**Hα-helixtrans-56.4-31.1172.9-78.4171.1-177-176.51.4113.6A1165 A1171 D1172A1165-R1169 WeakPolarHBondContact O-CB 3.37Å; A1165-R1169 WeakPolarHBondContact O-CG 3.43Å; A1165-R1169 PolarHBondContact O-N 2.63Å; R1169-A1171 PolarHBondContact O-N 2.94Å; R1169-D1172 WeakPolarHBondContact CA-OD2 3.32Å; R1169-D1172 PolarHBondContact N-OD2 3.43Å
1170M51.2Low54.1Low148 Ų148124.9 Ų124.973%0.72962%0.622SS**Hα-helixtrans-74.6-7.8171.9-65.7175.6168.800114.2K1167 T1168K1167-M1170 PolarHBondContact O-N 2.91Å; T1168-M1170 PolarHBondContact O-N 3.22Å; T1168-M1170 VanDerWaalsContact O-N 3.12Å
1171A52.2Low52.8Low48 Ų48128.1 Ų128.140%0.39764%0.64SS.*Hα-helixtrans-117.4-18175.200000113T1168 R1169 E1173 W1174 L1175T1168-A1171 CarbonylContact O-C 3.59Å; T1168-A1171 VanDerWaalsContact O-C 3.3Å; T1168-A1171 VanDerWaalsContact O-CA 3.26Å; T1168-A1171 WeakPolarHBondContact O-CA 3.23Å; T1168-A1171 WeakPolarHBondContact O-CB 3.33Å; T1168-A1171 PolarHBondContact O-N 2.6Å; R1169-A1171 PolarHBondContact O-N 2.94Å; A1171-E1173 VanDerWaalsContact C-N 3.32Å; A1171-W1174 WeakPolarHBondContact O-CA 3.33Å; A1171-W1174 VanDerWaalsContact O-CB 3.27Å; A1171-W1174 WeakPolarHBondContact O-CB 3.39Å; A1171-W1174 PolarHBondContact O-N 2.76Å; A1171-L1175 PolarHBondContact O-N 2.86Å
1172D48.1Very low51.2Low75 Ų75132.6 Ų132.640%0.40166%0.659SS.*Hα-helixtrans-75.8-24.9175.8-61.8-38.3000110.5T1168 R1169 W1174T1168-D1172 WeakPolarHBondContact CG2-OD1 3.5Å; T1168-D1172 PolarHBondContact O-N 3.47Å; R1169-D1172 WeakPolarHBondContact CA-OD2 3.32Å; R1169-D1172 PolarHBondContact N-OD2 3.43Å; D1172-W1174 PolarHBondContact O-N 3.43Å
1173E50.2Low49.7Very low171 Ų171135.4 Ų135.480%0.79967%0.67SS**Hα-helixtrans-57.3-22.1161.2-72.6-173.5162.800112.8A1171A1171-E1173 VanDerWaalsContact C-N 3.32Å
1174W46.1Very low48.2Very low219 Ų219130.6 Ų130.683%0.8366%0.663SS**Hα-helixtrans-104.2-14.7-175.3-88.487.2000115.2A1171 D1172A1171-W1174 WeakPolarHBondContact O-CA 3.33Å; A1171-W1174 VanDerWaalsContact O-CB 3.27Å; A1171-W1174 WeakPolarHBondContact O-CB 3.39Å; A1171-W1174 PolarHBondContact O-N 2.76Å; D1172-W1174 PolarHBondContact O-N 3.43Å
1175L47.3Very low47Very low145 Ų145132.3 Ų132.376%0.75968%0.677SS**Hα-helixtrans-135.426.2-170.7-142.272.9000114.9A1171 I1177A1171-L1175 PolarHBondContact O-N 2.86Å; L1175-I1177 PolarHBondContact O-N 2.83Å
1176N43.6Very low46.2Very low147 Ų147136.9 Ų136.979%0.78670%0.696SS**  trans-77.338.8-179.8-144.6-1000113.3
1177I46.8Very low45.5Very low137 Ų137143.8 Ų143.870%0.70371%0.712SS**  trans-144.3112.2-167.3-59.1-178.8000111.6L1175L1175-I1177 PolarHBondContact O-N 2.83Å
1178L39.7Very low44.4Very low167 Ų167142.3 Ų142.387%0.87471%0.711SS**  trans82125.9164.9-63.6163.5000119.9
1179D35.1Very low43.9Very low151 Ų151146.7 Ų146.781%0.80773%0.733SS**  trans-101.2153.7-176.9-42.8-98.2000114.5
1180I39.8Very low43.3Very low171 Ų171145.2 Ų145.288%0.87774%0.739SS**  trans-150.9124.1149-52.8-178.7000111.1
1181P41.1Very low42.9Very low107 Ų107145.7 Ų145.770%0.69574%0.744SS**  trans-125.4157.6157.938.6-27.3000114
1182N34.5Very low42.3Very low147 Ų147150.2 Ų150.279%0.78676%0.762SS**  trans-177.9151.9157.7-115.652000108.5
1183E38.3Very low41.7Very low166 Ų166153.4 Ų153.478%0.77678%0.779SS**  cis76.5129.330.1-79.8-177.9-142.400115.9
1184T40.8Very low41.1Very low102 Ų102148.1 Ų148.163%0.62677%0.77SS**  cis-126.6-125.9-9-39.30000111.5
1185E38.8Very low40.8Very low171 Ų171147.4 Ų147.480%0.79977%0.769SS**  cis-151.1150.21.8-61.2162.2112.900105.1
1186D41.6Very low40Very low131 Ų131148.8 Ų148.870%0.70177%0.771SS**  cis101.8141.624.2-77.2-21.8000117
1187Y44.7Very low39.5Very low202 Ų202151.3 Ų151.379%0.79277%0.77SS**  trans140.782.6159.8-76.9-55.6000117
1188D41.8Very low38.8Very low132 Ų132151.6 Ų151.671%0.70677%0.768SS**  52175.6111.4-52.6-21.3000125.1
1189D45.5Very low38.5Very low157 Ų157150.2 Ų150.284%0.8477%0.766SS**  trans77.8112.1-174.9-64.1-12.4000116.7
1190D42.2Very low38.5Very low156 Ų156150.3 Ų150.383%0.83477%0.765SS**  cis114.117014.5-84.1-33.4000116.4
1191D41.8Very low38.3Very low157 Ų157150.4 Ų150.484%0.8477%0.767SS**  trans78.771.6175.8-83.5-1.5000121
1192D40.4Very low37.9Very low144 Ų144154.9 Ų154.977%0.7778%0.776SS**  21.1131.5121.1-163.16.5000121.5G1194D1192-G1194 PolarHBondContact OD1-N 3.29Å
1193N36Very low38Very low142 Ų142157 Ų15776%0.75978%0.781SS**  trans-157.880.4148.7-142.9-54.3000113.2
1194G37.1Very low37.8Very low60 Ų60160 Ų16062%0.61979%0.785SS**  trans-83.3109.5-176.600000117D1192D1192-G1194 PolarHBondContact OD1-N 3.29Å
1195Y39Very low37.3Very low204 Ų204165.2 Ų165.280%0.880%0.799SS**  trans-122.291.5167.5-85.1-77.7000114.8
1196Q32.1Very low37.1Very low173 Ų173162 Ų16281%0.80880%0.795SS**  trans21.4121.4144.3-60.9179.4-7.800121.4
1197R33.4Very low36.8Very low200 Ų200165 Ų16576%0.75580%0.802SS**  trans62.3118.4131.9-76.4178.7171.5-960.5121.8
1198E30.1Very low36.3Very low143 Ų143163.1 Ų163.167%0.66880%0.8SS**  81.889.7127.3-68.8168.5135.200120.9
1199V35.4Very low35.9Very low138 Ų138164 Ų16484%0.83681%0.805SS**  trans85.4155.9140.6-164.80000117.6
1200I34.6Very low35.2Very low153 Ų153163.2 Ų163.279%0.78580%0.8SS**  trans83.8100.8175.1-45.8-178.4000115.8F1202I1200-F1202 PolarHBondContact O-N 2.61Å
1201L36Very low35.2Very low174 Ų174162.9 Ų162.991%0.91180%0.798SS**  trans-85.897.7174.5-72.7165.5000112.2
1202F32.6Very low34.9Very low200 Ų200162.8 Ų162.888%0.87780%0.797SS**  trans-160.595.3165.6-111-72.5000114.1I1200I1200-F1202 PolarHBondContact O-N 2.61Å
1203Q35.2Very low35.1Very low192 Ų192162.5 Ų162.590%0.89780%0.801SS**  trans-158.3106.5156.5-123174.210200117.2
1204R34.4Very low35.3Very low230 Ų230161 Ų16187%0.86880%0.802SS**  trans25.8104135.6-174.1-172.9-79.4175.9-6.7119.4
1205K31.6Very low35.6Very low211 Ų211164.3 Ų164.392%0.91781%0.805SS**  trans-168.571.6131.4-108.8173.6-176.9177.90111.4
1206S32.7Very low36.3Very low102 Ų102159.9 Ų159.971%0.71380%0.795SS**  trans-159178.2175.2-173.90000109.6
1207K35.8Very low37Very low194 Ų194158.6 Ų158.684%0.84379%0.793SS**  trans79.1112.1-164.9-56.5-174.1-179-170.40111.9
1208Q35.1Very low37.7Very low163 Ų163153.9 Ų153.976%0.76279%0.787SS**  cis51.59024-66.8175-28.800110.5
1209N32.8Very low38.8Very low151 Ų151154 Ų15481%0.80779%0.785SS**SBend57.612982.1-161.77.4000111.6
1210I31.9Very low39.5Very low141 Ų141154.5 Ų154.572%0.72378%0.778SS**  trans76.9135.4-168.1-47.1159.7000114
1211N40.2Very low39.9Very low149 Ų149158.2 Ų158.280%0.79778%0.782SS**  trans109.583.6168.3-58.8-63.6000116.7
1212D35.5Very low40.2Very low155 Ų155157 Ų15783%0.82978%0.776SS**  trans-80.1137.1168.4-49-80.3000111.7
1213T45.9Very low40.6Very low138 Ų138157.1 Ų157.185%0.84777%0.77SS**  trans163.9-20.2157.327.40000113.7
1214S39.5Very low40.9Very low111 Ų111156.6 Ų156.678%0.77677%0.772SS**SBendtrans-96.312.8-160.3-167.10000117.5
1215N44.3Very low40.8Very low129 Ų129148.6 Ų148.669%0.6976%0.761SS**SBendtrans-108.5-19.7-172.4-98.7-30.3000116.2
1216D53.1Low41Very low111 Ų111148.2 Ų148.259%0.59476%0.762SS**Hα-helixtrans-81.4-33.6-171-63.6-59.3000113.9V1218 K1219 Q1220D1216-V1218 PolarHBondContact O-N 2.69Å; D1216-V1218 VanDerWaalsContact O-N 3.09Å; D1216-K1219 PolarHBondContact O-N 3.29Å; D1216-Q1220 PolarHBondContact O-N 3.49Å
1217L46.8Very low41.2Very low146 Ų146148 Ų14876%0.76476%0.761SS**Hα-helixtrans-62.5-17.1176.7-79.9165.3000114.1
1218V48.1Very low41.2Very low101 Ų101147.2 Ų147.261%0.61276%0.76SS**Hα-helixtrans-91.6-25173.4-177.30000111.8D1216D1216-V1218 PolarHBondContact O-N 2.69Å; D1216-V1218 VanDerWaalsContact O-N 3.09Å
1219K52.4Low41.2Very low144 Ų144147 Ų14763%0.62677%0.765SS**Hα-helixtrans-82.3-16.2178.1-82.7-175.3174.2178.90114.9D1216D1216-K1219 PolarHBondContact O-N 3.29Å
1220Q50Low41.5Very low150 Ų150147.3 Ų147.370%0.70177%0.766SS**SBendtrans-83.7-29.1173.2-81.8179.7-42.100113.5D1216 L1222D1216-Q1220 PolarHBondContact O-N 3.49Å; Q1220-L1222 VanDerWaalsContact C-N 3.3Å; Q1220-L1222 PolarHBondContact O-N 3.33Å
1221R44Very low41.8Very low231 Ų231149.3 Ų149.387%0.87278%0.777SS**THydrogen-bonded Turntrans-86.615.4-176.2-80.2-170.6166.2-142.9-4.2115.7
1222L42.9Very low41.8Very low149 Ų149149.9 Ų149.978%0.7878%0.78SS**THydrogen-bonded Turntrans-140.327.9-173-110.1168.1000113.8Q1220Q1220-L1222 VanDerWaalsContact C-N 3.3Å; Q1220-L1222 PolarHBondContact O-N 3.33Å
1223R40.5Very low42.1Very low201 Ų201151.7 Ų151.776%0.75878%0.78SS**  trans-119.913-178.3-139.9-171.9-63.1-168.43.6115.5
1224I42.1Very low41.8Very low181 Ų181151.5 Ų151.593%0.92877%0.774SS**SBendtrans-104.986.7170.6-57.1179.5000107.9
1225G32.2Very low41.9Very low62 Ų62152.5 Ų152.564%0.63977%0.771SS**SBendtrans142.7137.1176.800000113.9
1226Q34.4Very low41.6Very low203 Ų203150.8 Ų150.895%0.94977%0.768SS**  trans70.580.5169-56.9-175.5-11.600118.5
1227S38.5Very low41.1Very low98 Ų98155 Ų15569%0.68578%0.782SS**  trans-158.3106.7136.6560000107.3
1228E35.7Very low40.6Very low177 Ų177156.9 Ų156.983%0.82779%0.786SS**  78109.3107.1-69160.6163.400111.8
1229N35.1Very low40Very low159 Ų159161.6 Ų161.685%0.8580%0.795SS**  53.659.855.7-65.2-22000114.2
1230D38.5Very low39.5Very low157 Ų157162.9 Ų162.984%0.8480%0.8SS**  trans-164.799.7142.2-109-23.9000112.2
1231L38.4Very low38.9Very low184 Ų184161.4 Ų161.496%0.96380%0.804SS**  trans-167.656.7158.9-111163.9000111.2
1232L39.5Very low38.7Very low161 Ų161155.5 Ų155.584%0.84380%0.798SS**  trans-111.4108.8171.5-96169.8000110.2
1233K41.9Very low38.5Very low192 Ų192154.1 Ų154.184%0.83580%0.796SS**  trans-177.3143.9151.3-105.1146.3-168.81670113.1
1234N40.8Very low38.6Very low134 Ų134150.8 Ų150.872%0.71780%0.8SS**  trans66.5128.9165.5-49.20.4000115.2
1235D40Very low38.3Very low133 Ų133149.8 Ų149.871%0.71180%0.795SS**  cis-149.2130-10.2-100.2-46.6000107.7
1236S38.6Very low38.5Very low92 Ų92154.5 Ų154.564%0.64381%0.805SS**  88.6100.770.7-62.80000113.7
1237K42.3Very low38.8Very low201 Ų201153.5 Ų153.587%0.87480%0.797SS**  trans97137.6175.3-55.5158.1-172.4173.30113.8
1238E36.5Very low38.7Very low184 Ų184154.9 Ų154.986%0.8680%0.797SS**  cis-141.4170.73.4-155.8147.9-170.400113.7
1239Y36.6Very low38.7Very low200 Ų200150.4 Ų150.478%0.78479%0.785SS**  trans-67158.7-172-77.8-174.5000115.1
1240K40.9Very low38.7Very low171 Ų171153.8 Ų153.874%0.74379%0.786SS**  cis-159.8164.61.2-118.9169.4-177.6175.90111.3
1241P38.2Very low38.7Very low120 Ų120157.2 Ų157.278%0.77979%0.789SS**  trans-117.8171.3-163.642.5-33.9000116.7
1242S38.5Very low38.5Very low107 Ų107160 Ų16075%0.74879%0.787SS**  trans-155.496.6153.962.90000114.7
1243T40Very low38.3Very low120 Ų120156.3 Ų156.374%0.73677%0.774SS**  trans24.1138137.861.20000120.6
1244P41.7Very low38Very low130 Ų130155.4 Ų155.484%0.84477%0.773SS**  -135.2162.186.638.7-29000115.7
1245I37.1Very low37.7Very low160 Ų160154.2 Ų154.282%0.82178%0.775SS**  trans-92.3135-177.7-66.3163.8000110.6
1246L34.9Very low37.6Very low162 Ų162153.6 Ų153.685%0.84878%0.776SS**  trans-92.3136.5159.8-77.6165.9000109.9
1247K40.4Very low37.3Very low182 Ų182157.1 Ų157.179%0.79179%0.787SS**  trans-176.2148.1130.4-104.3176.8-178.3-173.40115.3
1248D37.3Very low36.8Very low127 Ų127152.7 Ų152.768%0.67978%0.781SS**  trans64.390.6144.6-54.1-19.3000122.7
1249S35Very low36.9Very low83 Ų83151 Ų15158%0.5878%0.778SS**  66.6118.711881.50000120.7
1250R36.3Very low37Very low230 Ų230149.7 Ų149.787%0.86878%0.782SS**  -177.5151.989.8-109.8162.3-82.6-161.6-8113.9
1251Y37.9Very low36.8Very low228 Ų228144.4 Ų144.489%0.89478%0.777SS**  trans-66.3138.5166.1-79.8-115.3000111.3
1252R34.2Very low36.8Very low243 Ų243149.9 Ų149.992%0.91778%0.782SS**  -165.4169114.6-112.2177.6-179.6-107.5-0.2113.9
1253S35.1Very low36.9Very low84 Ų84152.7 Ų152.759%0.58779%0.787SS**  trans-74.6159.9-158.1-26.30000116.8
1254E34.9Very low36.8Very low172 Ų172152.7 Ų152.780%0.80478%0.778SS**  trans67.9104.1138.5-71.1166.1121.600121.3
1255S35.3Very low36.6Very low109 Ų109155.7 Ų155.776%0.76277%0.773SS**  87.4167.9127.280.70000120.1
1256V38.2Very low36.7Very low120 Ų120156.5 Ų156.573%0.72777%0.77SS**  trans72.292.3172.3-168.30000117.9
1257L32.5Very low36.9Very low167 Ų167154 Ų15487%0.87477%0.767SS**  trans68.6137.6140.2-62.2173.3000121.7
1258S31.9Very low36.7Very low107 Ų107151.2 Ų151.275%0.74877%0.765SS**  trans-60.6146.8165.7-30.30000112.8
1259N38.8Very low36.7Very low149 Ų149152.5 Ų152.580%0.79777%0.77SS**  -172.6163.7121.5-103.6-35.4000114.4
1260I38.3Very low36.7Very low172 Ų172159.2 Ų159.288%0.88278%0.783SS**  trans68.2132165.1-61145.1000116.3
1261G36.2Very low36.7Very low60 Ų60152.2 Ų152.262%0.61977%0.769SS**  trans-156.9-174.4167.400000110.1
1262R38.3Very low36.8Very low235 Ų235147.9 Ų147.989%0.88776%0.761SS**  trans72.2118.8-173.1-54.3176.5172.6179.5-2115.6
1263I40.4Very low36.9Very low167 Ų167142.7 Ų142.786%0.85675%0.751SS**  176.5144.5124.9-93.6153.7000107
1264H38.8Very low37.1Very low120 Ų120146.9 Ų146.956%0.55677%0.768SS**  cis-175.4133.5-36.2-133.59.5000107.6
1265R37.6Very low37.2Very low193 Ų193146.1 Ų146.173%0.72876%0.763SS**  trans67.5162.9145.2-64.7174177.5174.72.1117.2
1266K38.5Very low37.3Very low176 Ų176148.6 Ų148.677%0.76577%0.766SS**  cis-160.6179-3.8-129.2179.4177.8-165.30111.8
1267S38Very low37.1Very low111 Ų111148.9 Ų148.978%0.77676%0.764SS**  trans93.2154.4155.777.30000118.2
1268T36Very low37.3Very low123 Ų123148.2 Ų148.276%0.75576%0.76SS**  168.5131.4-57.5-83.80000109.9
1269I38.1Very low37.5Very low154 Ų154150 Ų15079%0.7976%0.761SS**  trans174.9119.5155.8-96.6150000105.2
1270R35.6Very low37.2Very low224 Ų224145.5 Ų145.585%0.84575%0.75SS**  62.2138.380.6-80.9-169.9-178.2-154.11114
1271S36.7Very low37.1Very low82 Ų82143.1 Ų143.157%0.57374%0.743SS**  cis-174.5-178.8-1545.50000106.9
1272D38.6Very low37Very low137 Ų137149.3 Ų149.373%0.73375%0.748SS**  cis-136.3-96.816.3-77.6-86.6000114
1273N36.7Very low36.9Very low134 Ų134143.3 Ų143.372%0.71774%0.742SS**  trans-133.1147.8-159.9-48.9-59.3000115.7
1274N40.1Very low36.7Very low173 Ų173143.8 Ų143.893%0.92574%0.738SS**  -156.2146.8118.3-119-9.7000110.6
1275H36Very low36.4Very low155 Ų155142.7 Ų142.772%0.71874%0.744SS**  trans-103.4134.7-175.3-85.5-85.7000112.7
1276I38.6Very low36.3Very low161 Ų161138.8 Ų138.883%0.82675%0.746SS**  trans-146.8139.5136.2-96.4152.4000105.8
1277N33.7Very low36.1Very low127 Ų127138 Ų13868%0.67975%0.747SS**  trans-93.6120.1-174.8-71.6-23.2000111.2
1278I37.4Very low36Very low153 Ų153139.4 Ų139.479%0.78575%0.746SS**  trans-133.6107.7159.4-56.8-179.6000107.5G1280I1278-G1280 PolarHBondContact O-N 2.89Å
1279N34.9Very low35.9Very low144 Ų144142 Ų14277%0.7775%0.754SS**  trans-97.461.1-174.3-86.1-22.5000112.3T1281N1279-T1281 PolarHBondContact O-N 3.23Å
1280G32.5Very low35.8Very low54 Ų54143.9 Ų143.956%0.55776%0.757SS**  trans-7590.6174.900000112.8I1278 R1282I1278-G1280 PolarHBondContact O-N 2.89Å; G1280-R1282 VanDerWaalsContact C-N 3.26Å; G1280-R1282 PolarHBondContact O-N 3.45Å
1281T36.5Very low35.7Very low123 Ų123138.6 Ų138.676%0.75575%0.754SS**  trans-79.360.7-177.947.70000114.2N1279 S1283N1279-T1281 PolarHBondContact O-N 3.23Å; T1281-S1283 PolarHBondContact O-N 2.87Å; T1281-S1283 PolarHBondContact O-OG 3.35Å
1282R33.9Very low35.7Very low190 Ų190142.6 Ų142.672%0.71777%0.769SS**  trans-71.180.2-175.6-158.1171.2-167.2-173.75.3113.5E881 G1280 K1284E881-R1282 IonicContact OE1-NH2 2.93Å; G1280-R1282 VanDerWaalsContact C-N 3.26Å; G1280-R1282 PolarHBondContact O-N 3.45Å; R1282-K1284 PolarHBondContact O-N 2.82Å
1283S35.3Very low35.5Very low108 Ų108139.6 Ų139.676%0.75577%0.77SS**  trans-79.978.3-172.5-64.70000113.8T1281 S1285T1281-S1283 PolarHBondContact O-N 2.87Å; T1281-S1283 PolarHBondContact O-OG 3.35Å; S1283-S1285 PolarHBondContact O-N 3.23Å
1284K36.5Very low35.5Very low177 Ų177141.7 Ų141.777%0.7778%0.78SS**  trans-63.895.6173.4-71.3-169.7174.4-1720112.3R1282 S1286R1282-K1284 PolarHBondContact O-N 2.82Å; K1284-S1286 PolarHBondContact O-N 3.46Å
1285S32.6Very low35.3Very low98 Ų98143 Ų14369%0.68578%0.778SS**  trans-88.461.3176.8-179.20000113.1S1283 M1287S1283-S1285 PolarHBondContact O-N 3.23Å; S1285-M1287 PolarHBondContact O-N 3.19Å; S1285-M1287 VanDerWaalsContact O-N 3.16Å
1286S35.2Very low35Very low110 Ų110141.3 Ų141.377%0.76978%0.783SS**  trans-71.2104.1173.855.80000111.6K1284K1284-S1286 PolarHBondContact O-N 3.46Å
1287M36Very low34.9Very low160 Ų160138.6 Ų138.679%0.78878%0.779SS**  trans-117.492.9176.7-72.3-144.2-16500114.1S1285S1285-M1287 PolarHBondContact O-N 3.19Å; S1285-M1287 VanDerWaalsContact O-N 3.16Å
1288N34.6Very low35Very low140 Ų140138.1 Ų138.175%0.74978%0.78SS**  trans43.985.2144.5-64.6-79.8000118.1K1290N1288-K1290 PolarHBondContact O-N 3.42Å
1289L35.2Very low34.8Very low177 Ų177138.6 Ų138.693%0.92778%0.784SS**  trans-61126.9148.3-76.3170000109.4
1290K34.9Very low34.8Very low195 Ų195136.7 Ų136.785%0.84878%0.782SS**  trans-105.281.8171.5-78.6-175.9175177.80110.4N1288N1288-K1290 PolarHBondContact O-N 3.42Å
1291S35Very low35Very low112 Ų112141.2 Ų141.278%0.78379%0.793SS**  trans-83.3124158.343.80000108.7
1292N36.8Very low34.8Very low167 Ų167143.2 Ų143.289%0.89379%0.794SS**  trans-156.3129.5-178.1-126.9-2.3000110.7
1293G33Very low34.9Very low73 Ų73140.4 Ų140.475%0.75380%0.798SS**  trans93.271.5163.700000116.8
1294L36.2Very low34.9Very low178 Ų178142.4 Ų142.493%0.93280%0.795SS**  trans-53.9142.1154.7-72.8164.5000110.6
1295K37.1Very low35Very low202 Ų202142.2 Ų142.288%0.87880%0.795SS**  trans-139.496.8158.7-77-165.9175.3-174.30110
1296S30.4Very low35Very low118 Ų118145 Ų14583%0.82580%0.797SS**  trans-83.3140.4162.2176.10000109.4
1297S36.1Very low35.1Very low105 Ų105147 Ų14773%0.73479%0.794SS**  trans-144.896.4168.2-72.40000110.8
1298T35.6Very low35.2Very low117 Ų117148.6 Ų148.672%0.71880%0.797SS**  trans50.7107.4140.158.90000120.4
1299N32.1Very low35.3Very low162 Ų162149.3 Ų149.387%0.86680%0.795SS**  30.4126.8124.2-49.62.6000119.7
1300S35Very low35.4Very low104 Ų104148.2 Ų148.273%0.72779%0.786SS**  -175.9168.8104.3-160.70000111.5
1301L37.6Very low35.4Very low150 Ų150143.7 Ų143.779%0.78578%0.778SS**  trans66.9108.2175.9-48.7179000114
1302Q32.3Very low35.5Very low165 Ų165149 Ų14977%0.77178%0.783SS**  cis85.113128.1-156178.47.700113.8
1303T36.3Very low35.5Very low130 Ų130148 Ų14880%0.79878%0.778SS**  trans64.1144.8-169.254.90000114
1304E35.6Very low35.5Very low151 Ų151149.2 Ų149.271%0.70677%0.774SS**  cis-154.9172.916.3-145.1166.4-158.700112.3
1305F36.9Very low35.6Very low173 Ų173148 Ų14876%0.75977%0.768SS**  trans63.373.6166.4-63.3-68.2000122.4
1306Q34.1Very low35.6Very low157 Ų157144.2 Ų144.273%0.73476%0.763SS**  33138.8104.1-169.2162.5-16.700122.5
1307E36.3Very low35.9Very low150 Ų150147.1 Ų147.170%0.70176%0.763SS**  trans66.4121.4165.4-77.1161.5-136.700117.6
1308K39Very low36.1Very low195 Ų195151.5 Ų151.585%0.84877%0.769SS**  cis-143.7159.143-70.1175.8177.9173.10115.9
1309H36Very low36.3Very low155 Ų155154.6 Ų154.672%0.71878%0.775SS**  trans-67.2169.9161.4-71.6-128.5000111.3
1310E36.6Very low36.5Very low154 Ų154154.2 Ų154.272%0.7277%0.773SS**  cis-165.4158.23.8-129.5154-153.900110.4
1311S36.3Very low36.8Very low100 Ų100158.5 Ų158.570%0.69978%0.782SS**  trans62.3156.5163.9710000117.1
1312Y37Very low36.6Very low223 Ų223164.3 Ų164.388%0.87581%0.805SS**  cis-119162.68.3-92.8-105.4000112.9
1313D35.5Very low36.8Very low147 Ų147164.3 Ų164.379%0.78681%0.807SS**  trans-139.1162.3167.6-159-9.9000108.5
1314S33.3Very low36.8Very low97 Ų97166.1 Ų166.168%0.67881%0.807SS**  trans53.1112.7175.158.70000119.9
1315D38.2Very low36.9Very low152 Ų152166.9 Ų166.981%0.81381%0.813SS**  trans166.3141133.2-88-12.6000109.1
1316T37.7Very low36.9Very low123 Ų123166.6 Ų166.676%0.75582%0.816SS**  cis-151.9160-3.22.90000109.9
1317Q36.3Very low37Very low180 Ų180167.2 Ų167.284%0.84182%0.821SS**  trans-96.1165.8157.2-77.4-171.9-45.700110.5
1318K41.1Very low37.1Very low197 Ų197168.3 Ų168.386%0.85783%0.829SS**  trans84.1151.2-172-52.5174-178.4-1800111.9
1319E38.7Very low36.9Very low182 Ų182166.4 Ų166.485%0.8583%0.828SS**  cis-122.3157.318.6-69.5168.3137.700114.2
1320N37.4Very low37Very low154 Ų154167.3 Ų167.382%0.82484%0.837SS**  trans-90.7142.3153-68.3-6.8000106.7
1321E40.8Very low37.1Very low193 Ų193168.4 Ų168.490%0.90285%0.846SS**  trans166.669.6137.1-93.2172.9-161.200111.6
1322Q32.5Very low37.1Very low273 Ų273174.6 Ų174.6100%1.27686%0.86SS**  trans-160.50141.1-110.1172.5-100109.1

Retrieved 1,322 of 1,322 residues in 258.4 ms (Link to these results)