A0A087XQA7_POEFO Loading...

Family with sequence similarity 217 member B

AlphaFold DB , UniProt , Accession A0A087XQA7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 575 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
1M42.7Very low46.3Very low245 Ų245156.6 Ų156.6100%1.20786%0.859SS**  0130.90-69.4142.267.600107.9
2G48.6Very low45.8Very low66 Ų66154.1 Ų154.168%0.6885%0.852SS**PPolyproline II helixtrans-88.9155.6173.600000111.7
3P54.6Low45.2Very low132 Ų132152.4 Ų152.486%0.85785%0.849SS**PPolyproline II helixtrans-72.8144.9177.730.4-34.4000112
4I46.8Very low44.9Very low165 Ų165153.5 Ų153.585%0.84685%0.851SS**PPolyproline II helixtrans-80.1128.3-178.9-63.5164.4000109.5
5M46.4Very low44.7Very low183 Ų183156.4 Ų156.490%0.90185%0.851SS**PPolyproline II helixtrans-80.8128.2170.2-69.1-134.3-61.800110.8
6Q51.9Low44.2Very low169 Ų169161.9 Ų161.979%0.7986%0.856SS**  trans-94109.4-179.7-170.2177.927.800110.3
7E49.3Very low43.8Very low190 Ų190160.6 Ų160.689%0.88886%0.855SS**  trans-71.2132.6-178.6-163172-171.900111.4
8R47.8Very low43.2Very low221 Ų221159.1 Ų159.183%0.83485%0.852SS**  trans-107.2114.5177.3-81.7-169.6170.2102-2.9110.9A10R8-A10 PolarHBondContact O-N 3.28Å
9T41.6Very low42.9Very low146 Ų146156.6 Ų156.690%0.89685%0.849SS**  trans-64.9121.7175.2-26.70000111.2
10A41.5Very low42.9Very low89 Ų89158.9 Ų158.974%0.73685%0.851SS**  trans-111.7111.5177.900000111.3R8 T12R8-A10 PolarHBondContact O-N 3.28Å; A10-T12 PolarHBondContact O-N 3.34Å
11S38.2Very low42.6Very low117 Ų117159.5 Ų159.582%0.81885%0.848SS**  trans-73.3114-178.1-58.90000112.5T13S11-T13 PolarHBondContact O-N 3.37Å
12T40.5Very low42.4Very low126 Ų126157.4 Ų157.477%0.77383%0.833SS**  trans-85111.2178.7550000112.4A10 L14A10-T12 PolarHBondContact O-N 3.34Å; T12-L14 PolarHBondContact O-N 3.48Å
13T37.9Very low42.1Very low132 Ų132161 Ų16181%0.8184%0.835SS**  trans-77.2104.6177.455.80000111.9S11 K15S11-T13 PolarHBondContact O-N 3.37Å; T13-K15 PolarHBondContact O-N 3.34Å
14L41Very low41.4Very low168 Ų168166.4 Ų166.488%0.8884%0.838SS**PPolyproline II helixtrans-72.4126.5175.1-71.8173.7000111.8T12T12-L14 PolarHBondContact O-N 3.48Å
15K41.8Very low41.1Very low197 Ų197164 Ų16486%0.85783%0.83SS**PPolyproline II helixtrans-75.4132.9177-68.3177.9178.2175.90110.4T13 V17T13-K15 PolarHBondContact O-N 3.34Å; K15-V17 PolarHBondContact O-N 3.2Å
16R36.7Very low40.7Very low245 Ų245164.1 Ų164.193%0.92583%0.826SS**PPolyproline II helixtrans-68.2128172.2-64.8-176.4179.4104-1.2110
17V36.7Very low39.9Very low139 Ų139163.3 Ų163.384%0.84283%0.827SS**PPolyproline II helixtrans-102.6127.9166.6176.90000108K15K15-V17 PolarHBondContact O-N 3.2Å
18V33.7Very low39.3Very low133 Ų133160.3 Ų160.381%0.80682%0.822SS**  trans-90.8106.5-178.1178.20000109.8K20V18-K20 PolarHBondContact O-N 2.81Å
19S38.4Very low38.6Very low113 Ų113158.7 Ų158.779%0.7982%0.824SS**  trans-76110.2171.352.10000110.4E21S19-E21 PolarHBondContact O-N 2.94Å
20K41.8Very low38.3Very low202 Ų202158.3 Ų158.388%0.87882%0.816SS**  trans-77.1113.5-177.7-171.2171.4-177.3174.10111.4V18V18-K20 PolarHBondContact O-N 2.81Å
21E36.2Very low38Very low171 Ų171159.5 Ų159.580%0.79982%0.819SS**  trans-65.7145.6177.9-170.6170.9-17400112.2S19S19-E21 PolarHBondContact O-N 2.94Å
22K39.8Very low37.6Very low202 Ų202157.5 Ų157.588%0.87882%0.818SS**  trans-121.486.2-173.7-165.8177.3-175.4-1800111.1R24K22-R24 PolarHBondContact O-N 3.19Å
23I42.2Very low37Very low141 Ų141156.8 Ų156.872%0.72382%0.817SS**  trans-63.5128.1-179.8-60.8173.9000110.4V25I23-V25 HydrophobicContact CG2-CG2 4.23Å
24R39.7Very low36.7Very low246 Ų246158 Ų15893%0.92882%0.818SS**  trans-96.295.1175.4179.2-179.8174.9160.5-0.3109.9K22K22-R24 PolarHBondContact O-N 3.19Å
25V40Very low36.2Very low113 Ų113155.7 Ų155.769%0.68581%0.811SS**  trans-75.6140.3169.8-1790000109.7I23I23-V25 HydrophobicContact CG2-CG2 4.23Å
26K39Very low35.8Very low186 Ų186150.8 Ų150.881%0.80980%0.802SS**  trans-97.6115.2177170.9-166.2174.1-172.80108.5
27N34.5Very low35.5Very low153 Ų153147 Ų14782%0.81880%0.8SS**  trans-118.8145.2164.4-82.6-8.7000109.8
28T37.3Very low35.2Very low127 Ų127144 Ų14478%0.77980%0.798SS**  trans-95.6142.4-179.9-51.10000109.6
29E33.1Very low35.2Very low186 Ų186143.5 Ų143.587%0.86980%0.795SS**  trans-73.3140.1173.6-62.3163.9111.300111.6
30N34.1Very low34.9Very low138 Ų138144.7 Ų144.774%0.73879%0.788SS**  trans-155.9151.1130.477.778.6000111.4
31S34.8Very low34.6Very low114 Ų114144.3 Ų144.380%0.79778%0.781SS**  trans59.7156.1153.8-43.90000120.8
32G30.2Very low34.5Very low76 Ų76141.5 Ų141.578%0.78478%0.779SS**  trans125.544.2145.300000118.5
33S29Very low34.2Very low110 Ų110138.1 Ų138.177%0.76978%0.775SS**  trans-48.1149.6170.5-44.70000116
34L30.7Very low33.8Very low157 Ų157137.8 Ų137.882%0.82278%0.779SS**  trans89.6143145.8-70.3161.9000123.3
35T31.7Very low33.6Very low120 Ų120133.8 Ų133.874%0.73677%0.773SS**  trans80.1116.8147.439.30000123.7
36S31.6Very low33.2Very low94 Ų94132.3 Ų132.366%0.65778%0.781SS**  75.3125127.869.10000123.2
37N30.4Very low33Very low165 Ų165131.1 Ų131.188%0.88278%0.778SS**  50.4120.1128.5-54.2-1000120
38G30.8Very low32.9Very low78 Ų78131.1 Ų131.180%0.80478%0.778SS**  trans-166.776.6176.500000113.4
39T33.2Very low32.8Very low121 Ų121135.7 Ų135.774%0.74278%0.781SS**  trans-26.8139.516133.70000118.5
40E34Very low32.8Very low138 Ų138134.5 Ų134.565%0.64578%0.78SS**  trans75.1155.3139.4-63.6-175.7141.300119.7
41R33.6Very low32.6Very low195 Ų195131.7 Ų131.774%0.73677%0.771SS**  cis-151157.1-10.4-124.5-179.9-110.8160.33.3110.6
42C34.8Very low32.4Very low111 Ų111135.4 Ų135.475%0.7577%0.772SS**  trans1.3158.9137.4-77.10000121.6
43V33.5Very low32.4Very low132 Ų132135.3 Ų135.380%0.876%0.76SS**  cis-120.7-131.8-0.7-151.40000110.3
44V34.3Very low32.5Very low134 Ų134139.7 Ų139.781%0.81276%0.761SS**  cis-136.9170.53.6-175.40000109.3
45M34.9Very low32.5Very low162 Ų162137.6 Ų137.680%0.79876%0.755SS**  trans-76.1163.5-175.9-61.3-172.9-77.100116.6
46G32Very low32.4Very low82 Ų82139.8 Ų139.885%0.84575%0.754SS**  trans-167.269.6166.600000112.9
47Q35.3Very low32.4Very low161 Ų161143 Ų14375%0.75276%0.759SS**  trans-82.1138.4179.7-60.9178.75.800111.8
48N31.7Very low32.4Very low152 Ų152140.5 Ų140.581%0.81375%0.754SS**  -166.6167.2101.8-123.4-40.6000114.7
49R34.5Very low32.4Very low224 Ų224140.9 Ų140.985%0.84575%0.75SS**  trans-128.4158.2172.6-68.5-179.4172.7-165-0.1110
50L34.2Very low32.4Very low161 Ų161143.9 Ų143.984%0.84376%0.755SS**  trans153.5159.9137.8-100.160.3000109.6
51S30.2Very low32.1Very low79 Ų79144 Ų14455%0.55276%0.755SS**  cis-177156-42.759.80000110.5
52K30.4Very low31.7Very low191 Ų191145.2 Ų145.283%0.8376%0.76SS**  trans68.3160.6153.6-72.4168.3-179.1179.50118.2
53S29.8Very low31.4Very low75 Ų75146 Ų14652%0.52476%0.761SS.*  cis178.8158.2-36.951.90000111.8
54Y30Very low31.2Very low202 Ų202144.5 Ų144.579%0.79276%0.757SS**  trans74.2128.2163.2-58.6-54.4000116.8
55T31.1Very low30.9Very low113 Ų113148.4 Ų148.469%0.69376%0.763SS**  73.3147.76165.10000114.6
56F29.7Very low30.7Very low165 Ų165144.4 Ų144.472%0.72476%0.756SS**  cis-164.217117.6-135.9-63.4000110.5
57H32.8Very low30.6Very low163 Ų163149.3 Ų149.376%0.75576%0.756SS**  trans69.3162.6152.7-83.1-59.7000119.4
58S29.6Very low30.4Very low111 Ų111149.8 Ų149.878%0.77676%0.763SS**  cis-154.7172-12.8-160.30000112.9
59A31.4Very low30.1Very low86 Ų86145.4 Ų145.471%0.71175%0.754SS**  trans-77.6-173.5-166.600000120.2
60Q33Very low29.9Very low185 Ų185142.4 Ų142.486%0.86475%0.753SS**  trans86.3153.5164.4-61.5-15960.500118.5
61H28.5Very low29.6Very low140 Ų140141.5 Ų141.565%0.64875%0.749SS**  cis-174.2157.1-22.6177.8-138.5000111.2
62W24.1Very low29.6Very low220 Ų220148.5 Ų148.583%0.83376%0.763SS**  trans90.5159.8144.1-124.425.1000125.7
63V28.9Very low29.5Very low127 Ų127145 Ų14577%0.7776%0.763SS**  trans79.9144.4165.6-156.90000120.9
64S28.9Very low29.3Very low102 Ų102144.4 Ų144.471%0.71377%0.769SS**  trans-108.1172.7-171.7-40.90000113.9
65F27.8Very low29.2Very low216 Ų216144.4 Ų144.495%0.94778%0.776SS**  trans-145166153.9-116.1-85000111.3
66A30.4Very low29.1Very low78 Ų78144 Ų14465%0.64578%0.778SS**  trans-146.3173.4-16500000114.8
67H30.9Very low29Very low184 Ų184142.3 Ų142.385%0.85279%0.785SS**  trans63.3121.9166.1-76.8-82000120.3
68L31.9Very low28.8Very low172 Ų172141 Ų14190%0.90178%0.784SS**  -165.3160.9115.1-105.2159.6000110.1
69G24.8Very low28.8Very low59 Ų59141.7 Ų141.761%0.60878%0.777SS**  trans-165166.2175.700000110.5
70I30.2Very low28.7Very low162 Ų162145.6 Ų145.683%0.83178%0.784SS**  trans-167.6160.8170.7-105150000109.1
71D27.4Very low28.7Very low142 Ų142144.1 Ų144.176%0.75978%0.775SS**  trans-61.3178-176.9-49-93.5000113.9
72R30.3Very low28.6Very low225 Ų225145.3 Ų145.385%0.84979%0.786SS**  cis177.4156.745.8-164.7171.2168.9-171.6-4.4112.1
73S29.3Very low29.2Very low118 Ų118142.9 Ų142.983%0.82578%0.784SS**  trans60.1160.7163.537.90000117.5
74G25Very low29.5Very low63 Ų63142.8 Ų142.865%0.64979%0.789SS**  cis147.6141.7-5.300000111.6
75E27.8Very low29.5Very low202 Ų202141.4 Ų141.494%0.94479%0.791SS**  trans62.1174.1175.8-56.1-174.3136.800116.4
76S29Very low29.7Very low104 Ų104136.2 Ų136.273%0.72778%0.782SS**  -173.3131.7-52-1750000106.7
77C27.9Very low29.5Very low129 Ų129139.4 Ų139.487%0.87279%0.793SS**  trans-95.6130.3-174.5-63.40000112.6
78N27.6Very low29.7Very low137 Ų137135.4 Ų135.473%0.73378%0.784SS**  trans-131.9112.7172.8-105.7-42.1000113.4
79I29.8Very low29.8Very low125 Ų125132.9 Ų132.964%0.64178%0.776SS**  trans31.9121.8133.4-50.6172.8000118.5K81I79-K81 HydrophobicContact CG2-CG 4.1Å
80I29.1Very low30.2Very low167 Ų167137.9 Ų137.986%0.85678%0.783SS**  trans-127.6136.3132-66.1-174.2000108.7
81K33Very low30.1Very low154 Ų154137.1 Ų137.167%0.6778%0.781SS**  trans-106.7167.9172.3-69.3174.5177.3172.20109.8I79I79-K81 HydrophobicContact CG2-CG 4.1Å
82N27.4Very low30.3Very low166 Ų166136.3 Ų136.389%0.88879%0.785SS**  trans-147.2153.8138.7-100.8-33.7000111.7
83Q36.2Very low30.1Very low169 Ų169131.2 Ų131.279%0.7978%0.784SS**  trans-114.3173.4178.9-66.3179.3-21.700108.4
84S35.7Very low30.1Very low125 Ų125136.2 Ų136.287%0.87479%0.785SS**  cis-174.6172.449.449.70000107.9
85G27.4Very low30.4Very low73 Ų73139.5 Ų139.575%0.75379%0.792SS**  cis-176.9-155.12.800000106.4
86S33Very low31.8Very low107 Ų107135 Ų13575%0.74878%0.78SS**  cis179.2124.2-27.51730000107.8
87V26.5Very low31.8Very low145 Ų145139 Ų13988%0.87979%0.787SS**  trans-146.8139.7163.1-177.50000108.5
88C34.8Very low32Very low99 Ų99137.9 Ų137.967%0.66979%0.787SS**  trans-109.2173.7-179.3-58.90000111.1
89T33.6Very low32.3Very low120 Ų120140.5 Ų140.574%0.73680%0.795SS**  -176.51418132.90000112.6
90H33.4Very low32.4Very low164 Ų164141.3 Ų141.376%0.75981%0.805SS**  trans50.1150.5145.5-69.2-81.9000121.2
91N28.7Very low32.5Very low146 Ų146139.9 Ų139.978%0.78180%0.795SS**  cis-150.1164.812-126.8-15.9000111.7
92C29.7Very low32.4Very low124 Ų124142.6 Ų142.684%0.83881%0.807SS**  trans-153.3151.8172.6-171.40000111
93S27.3Very low32.7Very low118 Ų118144 Ų14483%0.82580%0.8SS**  trans-142.3175.2176.3-161.80000112.1
94R29.7Very low33.3Very low224 Ų224140.1 Ų140.185%0.84579%0.789SS**  trans-131.7133.9-147.4-81.4-173.6-176.6-175.62.2115
95V30Very low33.1Very low132 Ų132141.9 Ų141.980%0.878%0.784SS**  trans28.6171.9136.3-84.10000122.2
96P56.9Low33.3Very low107 Ų107144.1 Ų144.170%0.69578%0.778SS**  cis-136.6-165.8-1.6234.8000115.7
97E29.7Very low33.2Very low189 Ų189148.2 Ų148.288%0.88378%0.777SS**  trans82.5120.8151.6-51.8-154.2139.200122.7
98A31.9Very low33.5Very low105 Ų105148.5 Ų148.587%0.86877%0.766SS**  -165154.3119.300000110
99E34.1Very low33.3Very low191 Ų191150.7 Ų150.789%0.89377%0.767SS**  trans-91.2163.4-177.8-58.7177.1111.500113.7
100V32.8Very low33.2Very low142 Ų142149.1 Ų149.186%0.86176%0.761SS**  177.7131.1120.8150.50000109.8
101E30.2Very low33.1Very low138 Ų138146.5 Ų146.565%0.64576%0.761SS**  trans-95.9146.4173.3-176.1-173.3171.600110.5
102F32.3Very low33.4Very low211 Ų211144 Ų14493%0.92576%0.76SS**  trans-159.4154.4133.7-100.7-61.7000113.6
103R32Very low33.5Very low196 Ų196145.4 Ų145.474%0.7475%0.754SS**  trans-112.4-173.3-165.4-102.3-175.7152.5-153.24.7110.4
104P48.9Very low33.8Very low86 Ų86148.9 Ų148.956%0.55875%0.749SS**  cis-146.5-166.8-43.942.9-24.9000114.6
105Q33.1Very low34.1Very low162 Ų162146 Ų14676%0.75774%0.743SS**  trans71.7167.9148.2-76.9169.914.300118.1
106L29.7Very low34.4Very low121 Ų121146.9 Ų146.963%0.63474%0.739SS**  cis-150.2128.812.2-159.687.1000114.6
107R31Very low33.1Very low192 Ų192149 Ų14973%0.72574%0.739SS**  trans51.7143.5139.8-79.4176.1159175-3125.7
108K33.4Very low33.3Very low151 Ų151148.1 Ų148.166%0.65773%0.732SS**  trans79.9152.1134-76.6171.6163.6-150.90118.7
109Q30.5Very low33.5Very low145 Ų145153.4 Ų153.468%0.67873%0.73SS**  cis-155.9167.6-6.8-130.9166.1-50.200114.5
110S31.3Very low33.3Very low88 Ų88150.8 Ų150.862%0.61572%0.717SS**  trans-5.8157.1147.557.20000121.1
111S32.8Very low33.1Very low108 Ų108149.2 Ų149.276%0.75570%0.704SS**  cis175.9175.4-4.752.10000111.9
112A34.7Very low33.3Very low93 Ų93150 Ų15077%0.76971%0.708SS**  trans75.4166.716100000116.1
113H30.8Very low33.3Very low155 Ų155151.3 Ų151.372%0.71871%0.707SS**  cis-147.1137.79.8-177.3-105.1000113.8
114R34.2Very low33.3Very low190 Ų190149 Ų14972%0.71771%0.708SS**  trans7.2142152.3-94.1178.2174.2-175.2-1.7122.7
115K35.9Very low32.6Very low163 Ų163149.5 Ų149.571%0.70971%0.714SS**  50.2153.8124.4-75.5-179.7166.2-99.70120
116E36.2Very low33.4Very low152 Ų152148 Ų14871%0.7172%0.718SS**  cis-178.1179.9-9.4174.2167.4-161.900108.1
117E30Very low33.3Very low150 Ų150147.8 Ų147.870%0.70173%0.725SS**  trans11395.5158.7-160.4157.6-163.700119.9
118K33.3Very low33.1Very low171 Ų171142.2 Ų142.274%0.74373%0.728SS**  53.8107.2120.3-166.5-170.4-179.6-174.50122.5
119R36.7Very low33Very low217 Ų217140.2 Ų140.282%0.81973%0.728SS**  54.1125.2124-125.1-167.8-164.7-140.514.4122
120E30.2Very low33.1Very low135 Ų135140.4 Ų140.463%0.63173%0.729SS**  114.7125.1123.4-155.2163.9144.100121.9
121N28.4Very low33.4Very low109 Ų109142.9 Ų142.958%0.58374%0.735SS**  trans62.3110.6154.2-80.4-43.1000125.9
122Q33.8Very low33.6Very low156 Ų156144.8 Ų144.873%0.72974%0.736SS**  51.2124123.2-66.7-176.17400124.4
123R32.9Very low33.9Very low238 Ų238146.3 Ų146.390%0.89874%0.738SS**  trans-168.7138.5133.8-101.5167.4-167.7-1502.9107.6
124L32.4Very low34Very low146 Ų146145.3 Ų145.376%0.76474%0.738SS**  cis70.912837.2-58.7176.8000113.3
125S32.7Very low34.1Very low98 Ų98147.1 Ų147.169%0.68575%0.745SS**  cis-158.4159.82.11690000110
126P50.3Low34.1Very low129 Ų129147.5 Ų147.584%0.83875%0.749SS**  -138.4-154.8120.940.2-27.4000113
127C27.2Very low34.1Very low117 Ų117143.5 Ų143.579%0.79175%0.749SS**  trans-155169.6-163-169.10000112.5T129C127-T129 PolarHBondContact SG-OG1 2.95Å
128G27.2Very low34.5Very low75 Ų75145.6 Ų145.677%0.77376%0.761SS**  trans-170.4117.1167.900000110.5
129T30.8Very low34.8Very low109 Ų109140.3 Ų140.367%0.66976%0.755SS**  trans-136.2-170-162.3-52.80000110.9C127C127-T129 PolarHBondContact SG-OG1 2.95Å
130E33.6Very low35.5Very low150 Ų150139.5 Ų139.570%0.70176%0.757SS**  trans88.5132.2174.5-50-6879.400114.8
131L37Very low35.9Very low139 Ų139140.2 Ų140.273%0.72877%0.765SS**  cis-154.1156-5.6-114.3170.8000111.3
132L36.8Very low36.6Very low149 Ų149144.8 Ų144.878%0.7877%0.774SS**  trans-90.9158.3157.1-84169.5000109.6
133P41.5Very low36.9Very low125 Ų125147.6 Ų147.681%0.81278%0.778SS**  -130.9132.2123.235.3-28.8000113.2
134N33.2Very low37.2Very low133 Ų133140 Ų14071%0.71177%0.767SS**  trans-83.8128.6166.3178.3-16.8000109.2
135R37.3Very low37.5Very low229 Ų229142.1 Ų142.186%0.86478%0.778SS**  trans-117.9139.3158.4-91.4-165.1175-870.9110.4
136Q34.5Very low37.9Very low170 Ų170142 Ų14279%0.79478%0.777SS**  trans-75.3145.1-168.1-56.8104.4-5.600113.5
137G37.7Very low37.7Very low69 Ų69143.4 Ų143.471%0.71178%0.776SS**  79.878.2119.200000119.1
138M37.2Very low38.5Very low193 Ų193143.6 Ų143.695%0.95178%0.777SS**  trans-172.4134.8142.8-102.115361.500107.9
139G40.1Very low39Very low60 Ų60147.8 Ų147.862%0.61978%0.78SS**  cis135120.5-1.400000111.2
140K51.4Low39.3Very low201 Ų201147.5 Ų147.587%0.87478%0.782SS**  trans99.9137.1174-54.7152.2-173.7174.30116.5
141N38.7Very low39.8Very low149 Ų149146.3 Ų146.380%0.79779%0.787SS**  trans49.6119.2161.3-55.5-28.5000119.4
142R42.1Very low40.1Very low205 Ų205147.7 Ų147.777%0.77479%0.794SS**  cis75.1107.247.2-73.5-165.7166.4-168.9-1116.5
143R41.6Very low40Very low215 Ų215146.3 Ų146.381%0.81180%0.796SS**  trans87.3146.3136.4-68.9177.8174-165.8-4.1120.7
144A38.7Very low39.7Very low80 Ų80144.2 Ų144.266%0.66180%0.797SS**  trans74.289.5150.500000119.1S146A144-S146 PolarHBondContact O-N 3.07Å
145L38.4Very low39.8Very low190 Ų190146.1 Ų146.1100%0.99581%0.806SS**  trans-74.981138.4-68.9176.6000108.4
146S40.7Very low39.7Very low95 Ų95145.8 Ų145.866%0.66481%0.805SS**PPolyproline II helixtrans-98.1128.3169.950.10000109.8A144A144-S146 PolarHBondContact O-N 3.07Å
147L45.7Very low39.7Very low158 Ų158145.5 Ų145.583%0.82781%0.806SS**PPolyproline II helixtrans-60.3138.8-177.3-60.3170.6000111.8I149L147-I149 PolarHBondContact O-N 3.28Å
148P45.2Very low39.3Very low122 Ų122148.2 Ų148.279%0.79281%0.814SS**PPolyproline II helixtrans-71.9118.3172.629.2-32.8000110.5
149I36.8Very low39Very low163 Ų163144.9 Ų144.984%0.83681%0.809SS**PPolyproline II helixtrans-82.9119.6170.7-60.6172.3000107.7L147L147-I149 PolarHBondContact O-N 3.28Å
150S38.3Very low38.7Very low102 Ų102146.7 Ų146.771%0.71381%0.813SS**PPolyproline II helixtrans-76.5133.7176.1-63.20000110.9
151P43Very low37.9Very low125 Ų125145.8 Ų145.881%0.81281%0.812SS**PPolyproline II helixtrans-75.6141.1176.531.3-34.3000111.4
152I42.9Very low38.2Very low169 Ų169143.6 Ų143.687%0.86781%0.805SS**PPolyproline II helixtrans-91.1127.9171.7-61.4174.4000108.9
153S34.5Very low37.9Very low119 Ų119140.8 Ų140.883%0.83281%0.805SS**  trans-163.6151168.1-820000110.9
154G34.9Very low37.6Very low81 Ų81137 Ų13784%0.83580%0.798SS**  trans93.688.6162.500000116.9
155L35.8Very low37.4Very low173 Ų173141.5 Ų141.591%0.90681%0.805SS**  trans-68.5125.6154.7-87.6162.2000110.2
156R34.6Very low37.3Very low222 Ų222137.6 Ų137.684%0.83879%0.794SS**  160142.8110.8-81.8-142.7-71.9-166.4-1114.6
157M34.5Very low37.5Very low165 Ų165139.1 Ų139.181%0.81380%0.801SS**  trans33113141.8-54.8-67.690.600119.6
158S30.1Very low37.6Very low126 Ų126135.9 Ų135.988%0.88180%0.797SS**  trans-92.3116.415955.60000111.3
159S31.9Very low37.6Very low122 Ų122136.1 Ų136.185%0.85380%0.799SS**  trans-128.1153160.9570000109.8
160S33.3Very low38.6Very low99 Ų99133.2 Ų133.269%0.69279%0.789SS**  trans-95.6143.3-158.953.40000115.6
161H35Very low39.2Very low182 Ų182133.6 Ų133.684%0.84379%0.789SS**  trans68.4163.8159-66.8-56.6000117.5
162P43.8Very low39.6Very low102 Ų102133.7 Ų133.766%0.66278%0.778SS**  -136.8178.5-59.139.9-24.2000113.4
163L37.1Very low40Very low146 Ų146129.8 Ų129.876%0.76477%0.771SS**  trans33.3116.5150.6-72.2162.2000119.7
164M33.9Very low40.6Very low136 Ų136131.3 Ų131.367%0.6777%0.769SS**  176.7144.6111.4-93.5-68.6100.500113.8
165H35.1Very low41.5Very low175 Ų175134.9 Ų134.981%0.8176%0.764SS**  trans55.5144.7162.1-57.5-55.5000122.5
166S35.3Very low42.2Very low108 Ų108135.1 Ų135.176%0.75576%0.761SS**  trans-112.1152.3166.7-1640000107.9
167P45.8Very low42.7Very low126 Ų126133 Ų13382%0.81876%0.76SS**  -137.2168.584.636.1-21.5000114.3
168A47.9Very low43.3Very low90 Ų90135 Ų13574%0.74476%0.76SS**PPolyproline II helixtrans-92.2142.2179.300000113.1
169P44.4Very low44.2Very low128 Ų128136.2 Ų136.283%0.83176%0.757SS**PPolyproline II helixtrans-92.1162168.535.8-32.8000113
170T58.9Low44.6Very low102 Ų102137.8 Ų137.863%0.62676%0.756SS**PPolyproline II helixtrans-93.6166-170.657.90000113.4E172T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 WeakPolarHBondContact CB-OE2 3.08Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å
171P49.5Very low45.2Very low110 Ų110141.5 Ų141.571%0.71476%0.759SS**G310 helixtrans-77.9-3.3-16431-35.4000116.2A173P171-A173 PolarHBondContact O-N 3.27Å
172E53.1Low45.6Very low127 Ų127140.6 Ų140.659%0.59376%0.755SS**G310 helixtrans-64.6-24.3-175.4-65.268.8-14700113.5T170 L174 Q175T170-E172 VanDerWaalsContact C-N 3.32Å; T170-E172 WeakPolarHBondContact CB-OE2 3.08Å; T170-E172 PolarHBondContact O-N 3.49Å; T170-E172 PolarHBondContact OG1-OE2 2.92Å; E172-L174 PolarHBondContact O-N 3.48Å; E172-L174 VanDerWaalsContact O-N 3.16Å; E172-Q175 PolarHBondContact O-N 2.58Å
173A49.7Very low45.9Very low87 Ų87143.2 Ų143.272%0.71976%0.764SS**G310 helixtrans-65.2-18.6-173.700000114.9P171P171-A173 PolarHBondContact O-N 3.27Å
174L48.6Very low46.7Very low150 Ų150143.1 Ų143.179%0.78576%0.764SS**G310 helixtrans-85.3-12.4-175.5-120.6168000114E172E172-L174 PolarHBondContact O-N 3.48Å; E172-L174 VanDerWaalsContact O-N 3.16Å
175Q54.1Low47.3Very low157 Ų157142 Ų14273%0.73477%0.77SS**SBendtrans-82.8-23.2-167.8-158.765.577.300114.2E172E172-Q175 PolarHBondContact O-N 2.58Å
176Q49.8Very low48.7Very low177 Ų177140.4 Ų140.483%0.82777%0.767SS**G310 helixtrans-84.8-13.2-168.7-66.8-165.8-700115.6Y178Q176-Y178 VanDerWaalsContact C-N 3.27Å; Q176-Y178 PolarHBondContact O-N 3.48Å
177H46.1Very low49.7Very low179 Ų179140.5 Ų140.583%0.82977%0.767SS**G310 helixtrans-80.32.8-178-87-70.4000115.4
178Y45.8Very low50.6Low205 Ų205138.8 Ų138.880%0.80476%0.764SS**G310 helixtrans-111.212.1-173.6-100.4-73.8000115.8Q176Q176-Y178 VanDerWaalsContact C-N 3.27Å; Q176-Y178 PolarHBondContact O-N 3.48Å
179N49.4Very low50.9Low153 Ų153139 Ų13982%0.81876%0.76SS**  trans-144.187.3170.6-118.3-107.3000112.7
180N39.4Very low51.6Low155 Ų155141.3 Ų141.383%0.82977%0.765SS**  trans-149.3145.1132-124.64.5000110.4
181K46.8Very low51Low177 Ų177143.2 Ų143.277%0.7777%0.771SS**  trans-84.9171.8153.2-61.3174.4-178.6171.80105.6
182E42.6Very low51.4Low163 Ų163141.6 Ų141.676%0.76276%0.762SS**  cis-157.5154.749.9-91.3118.1-128.800110.7
183D50.4Low51.4Low157 Ų157140.7 Ų140.784%0.8476%0.762SS**  trans42156.5151.8-73.4-110.3000125.5
184D54.2Low51.8Low144 Ų144141.7 Ų141.777%0.7776%0.763SS**  trans57.692.3165.7-156.216.7000120.5
185S47.3Very low52.1Low112 Ų112142.3 Ų142.378%0.78376%0.762SS**  trans-157.5104.1131.7-79.70000110.2S187S185-S187 PolarHBondContact O-N 2.85Å
186D64Low52.2Low142 Ų142144.2 Ų144.276%0.75976%0.763SS**  trans-63.8124.6166-177.413000109.9
187S55.7Low52.5Low109 Ų109142.6 Ų142.676%0.76276%0.759SS**  trans-157.658.2178.2-800000111.2S185 S189S185-S187 PolarHBondContact O-N 2.85Å; S187-S189 PolarHBondContact O-N 2.84Å
188A64.1Low53Low90 Ų90139.1 Ų139.174%0.74475%0.752SS**  trans-65.299.3170.400000112
189S55.8Low53.2Low96 Ų96135.6 Ų135.667%0.67175%0.752SS**  trans-15766.5163.8-82.20000113S187 L191S187-S189 PolarHBondContact O-N 2.84Å; S189-L191 PolarHBondContact O-N 2.69Å
190D58.9Low53.5Low175 Ų175135 Ų13594%0.93675%0.748SS**  trans-71.968.6157.9-116.9-21.9000109.3S192D190-S192 PolarHBondContact O-N 2.8Å
191L46Very low54.1Low143 Ų143133 Ų13375%0.74974%0.743SS**  trans-79101.7170.2-69.8-176.4000108.4S189S189-L191 PolarHBondContact O-N 2.69Å
192S56.9Low54.1Low75 Ų75128.4 Ų128.452%0.52473%0.734SS.*  trans-47.3138-177-179.30000113.4D190 S194 E195D190-S192 PolarHBondContact O-N 2.8Å; S192-S194 PolarHBondContact O-N 2.89Å; S192-S194 PolarHBondContact OG-N 2.73Å; S192-S194 PolarHBondContact OG-OG 3.37Å; S192-E195 PolarHBondContact O-N 3Å
193D54.2Low54.4Low108 Ų108127.2 Ų127.258%0.57874%0.74SS**G310 helixtrans-50.9-8.5169.3-91.2-55.1000115.3E195 R196D193-E195 PolarHBondContact O-N 3.02Å; D193-R196 WeakPolarHBondContact O-CB 3.27Å; D193-R196 PolarHBondContact O-N 3.42Å; D193-R196 VanDerWaalsContact OD1-CD 3.24Å; D193-R196 WeakPolarHBondContact OD1-CD 3.2Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.74Å; D193-R196 IonicContact OD1-NH1 2.74Å; D193-R196 PolarHBondContact OD1-NH1 3.48Å
194S57.1Low54.1Low108 Ų108125.7 Ų125.776%0.75574%0.74SS**G310 helixtrans-62.9-19.9177.6-54.60000115S192S192-S194 PolarHBondContact O-N 2.89Å; S192-S194 PolarHBondContact OG-N 2.73Å; S192-S194 PolarHBondContact OG-OG 3.37Å
195E56.1Low54Low163 Ų163124 Ų12476%0.76274%0.735SS**G310 helixtrans-92.6-0.8171.879.6151.9-142.200114.6S192 D193 L197S192-E195 PolarHBondContact O-N 3Å; D193-E195 PolarHBondContact O-N 3.02Å; E195-L197 PolarHBondContact O-N 2.95Å
196R55.3Low54.2Low197 Ų197123.5 Ų123.574%0.74373%0.729SS**  trans-70.580.8165.8-70.3-168.1170.6141.8-5109.2D193D193-R196 WeakPolarHBondContact O-CB 3.27Å; D193-R196 PolarHBondContact O-N 3.42Å; D193-R196 VanDerWaalsContact OD1-CD 3.24Å; D193-R196 WeakPolarHBondContact OD1-CD 3.2Å; D193-R196 IonicContact OD1-CZ 2.72Å; D193-R196 IonicContact OD1-NE 2.74Å; D193-R196 IonicContact OD1-NH1 2.74Å; D193-R196 PolarHBondContact OD1-NH1 3.48Å
197L55.7Low53.7Low143 Ų143123.1 Ų123.175%0.74974%0.737SS**  trans-41.6136.5162.7-64.7173.4000108.4E195 V199E195-L197 PolarHBondContact O-N 2.95Å; L197-V199 PolarHBondContact O-N 3.38Å
198P57Low53.7Low107 Ų107122.9 Ų122.970%0.69573%0.73SS**  trans-54.2122.6168.825.1-33.1000106.8L200P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.33Å
199V51Low53.7Low131 Ų131123.1 Ų123.179%0.79473%0.725SS**  trans-63.695.2-171.8178.70000108.2L197L197-V199 PolarHBondContact O-N 3.38Å
200L55.4Low54.3Low139 Ų139123.7 Ų123.773%0.72873%0.726SS**PPolyproline II helixtrans-57.1123.4172.2-64.1178.1000106P198 S202P198-L200 VanDerWaalsContact C-N 3.29Å; P198-L200 PolarHBondContact O-N 3.33Å; L200-S202 PolarHBondContact O-N 2.99Å
201P51.7Low54.3Low113 Ų113123.3 Ų123.373%0.73472%0.718SS**PPolyproline II helixtrans-54.9120.7-177.121.3-32.3000108.1
202S46.3Very low55.3Low81 Ų81122.2 Ų122.257%0.56671%0.712SS**PPolyproline II helixtrans-57.4146.5-164.1-52.70000111L200 C204 T205L200-S202 PolarHBondContact O-N 2.99Å; S202-C204 PolarHBondContact O-N 3Å; S202-T205 PolarHBondContact O-N 3.41Å
203P49.5Very low55.3Low138 Ų138123.8 Ų123.890%0.89672%0.715SS**THydrogen-bonded Turntrans-73.431.8-171.532.3-38.4000114
204C45Very low55.8Low125 Ų125126.1 Ų126.185%0.84573%0.726SS**THydrogen-bonded Turntrans-115.74.1179.2-135.50000113.1S202S202-C204 PolarHBondContact O-N 3Å
205T51.3Low56.3Low109 Ų109129.5 Ų129.567%0.66972%0.723SS**SBendtrans-85.7128.7145.647.90000107.3S202 C207S202-T205 PolarHBondContact O-N 3.41Å; T205-C207 PolarHBondContact O-N 2.85Å
206P50.2Low56.8Low101 Ų101126.5 Ų126.566%0.65673%0.726SS**  trans-65.2137.8172.428.4-33.3000108.3T208P206-T208 PolarHBondContact O-N 2.86Å
207C55.3Low57.3Low135 Ų135123.7 Ų123.791%0.91272%0.721SS**  trans-73.359.4169.1-1660000110T205 P209T205-C207 PolarHBondContact O-N 2.85Å; C207-P209 VanDerWaalsContact O-CD 3.29Å; C207-P209 WeakPolarHBondContact O-CD 3.24Å
208T54.4Low57.9Low103 Ų103124.8 Ų124.863%0.63273%0.726SS**  trans-81.5107.2167.3-52.60000105P206P206-T208 PolarHBondContact O-N 2.86Å
209P64.4Low58.3Low96 Ų96125.1 Ų125.162%0.62372%0.721SS**  trans-55.7147168.626.5-34.1000108.3C207 H211C207-P209 VanDerWaalsContact O-CD 3.29Å; C207-P209 WeakPolarHBondContact O-CD 3.24Å; P209-H211 PolarHBondContact O-N 3.16Å
210P69.3Low58.8Low107 Ų107122 Ų12270%0.69570%0.7SS**  trans-51.1136.2-179.722.7-33.9000109.3L212P210-L212 PolarHBondContact O-N 3.5Å
211H58.9Low59.2Low167 Ų167120.7 Ų120.777%0.77370%0.698SS**  trans-67.987.5-175.3-169.3170000109.1P209 N213P209-H211 PolarHBondContact O-N 3.16Å; H211-N213 PolarHBondContact O-N 3.27Å
212L67.3Low59.7Low121 Ų121121.4 Ų121.463%0.63470%0.695SS**  trans-61.5110175-61.2-176.9000107.1P210 L214P210-L212 PolarHBondContact O-N 3.5Å; L212-L214 HydrophobicContact CB-CD2 4.21Å; L212-L214 HydrophobicContact CB-CG 4.2Å; L212-L214 PolarHBondContact O-N 2.97Å
213N56.8Low60.5Low107 Ų107123.3 Ų123.357%0.57270%0.699SS**  trans-68.480.4169.3-81.1-59.9000107.8H211 R215H211-N213 PolarHBondContact O-N 3.27Å; N213-R215 PolarHBondContact O-N 3.48Å
214L63.9Low61Low157 Ų157123 Ų12382%0.82268%0.684SS**  trans-70.963.8172.1-62.6-179.6000109.9L212L212-L214 HydrophobicContact CB-CD2 4.21Å; L212-L214 HydrophobicContact CB-CG 4.2Å; L212-L214 PolarHBondContact O-N 2.97Å
215R67.3Low61.7Low179 Ų179123.7 Ų123.768%0.67568%0.678SS**  trans-59.6151.6153.6-72.3-174.4167.989.45.1107.4N213 E217N213-R215 PolarHBondContact O-N 3.48Å; R215-E217 HydrophobicContact CB-CG 4.13Å; R215-E217 PolarHBondContact O-N 3.32Å
216A67.5Low62Low100 Ų100124.6 Ų124.683%0.82669%0.686SS**  trans-7465.8163.800000108.7I218A216-I218 PolarHBondContact O-N 3.17Å
217E65.9Low62.1Low139 Ų139125.1 Ų125.165%0.6568%0.683SS**  trans-59.1118.7164-74.4169.4-159.200106.3R215 I219R215-E217 HydrophobicContact CB-CG 4.13Å; R215-E217 PolarHBondContact O-N 3.32Å; E217-I219 PolarHBondContact O-N 3.46Å
218I66.5Low61.8Low165 Ų165125.8 Ų125.885%0.84668%0.676SS**  trans-73.687.7-179.9-61.6163.9000105.6A216 N220A216-I218 PolarHBondContact O-N 3.17Å; I218-N220 PolarHBondContact O-N 3.28Å
219I65.9Low61.7Low114 Ų114125 Ų12559%0.58567%0.673SS**  trans-63.1105.7178.6-47.7178.1000106.7E217 T221 F224E217-I219 PolarHBondContact O-N 3.46Å; I219-T221 PolarHBondContact O-N 2.8Å; I219-F224 HydrophobicContact CG2-CD2 4.46Å; I219-F224 HydrophobicContact CG2-CE2 3.48Å; I219-F224 VanDerWaalsContact CG2-CE2 3.48Å; I219-F224 HydrophobicContact CG2-CZ 3.67Å
220N62.8Low60.9Low66 Ų66122.1 Ų122.135%0.35366%0.661SS.*  trans-62.1119.7177.4173.428.7000107.7I218 N222 D223I218-N220 PolarHBondContact O-N 3.28Å; N220-N222 PolarHBondContact O-N 3.47Å; N220-N222 PolarHBondContact OD1-N 3.18Å; N220-N222 PolarHBondContact OD1-ND2 3.48Å; N220-D223 PolarHBondContact ND2-OD1 3.09Å; N220-D223 WeakPolarHBondContact O-CB 3.44Å; N220-D223 PolarHBondContact O-N 3.04Å
221T63.2Low59.9Low112 Ų112123.7 Ų123.769%0.68767%0.671SS**THydrogen-bonded Turntrans-63.3-13.7-177.439.60000113.2I219I219-T221 PolarHBondContact O-N 2.8Å
222N62.1Low59.2Low128 Ų128124 Ų12468%0.68467%0.673SS**THydrogen-bonded Turntrans-84-10.8174.1-51.3-75.7000113.8N220 F224N220-N222 PolarHBondContact O-N 3.47Å; N220-N222 PolarHBondContact OD1-N 3.18Å; N220-N222 PolarHBondContact OD1-ND2 3.48Å; N222-F224 VanDerWaalsContact C-N 3.26Å
223D63.6Low58.1Low121 Ų121121.5 Ų121.565%0.64768%0.676SS**SBendtrans-79.5-13.2175.1-62.3-5.8000111.7N220N220-D223 PolarHBondContact ND2-OD1 3.09Å; N220-D223 WeakPolarHBondContact O-CB 3.44Å; N220-D223 PolarHBondContact O-N 3.04Å
224F58.3Low57.5Low131 Ų131124.8 Ų124.858%0.57569%0.69SS**SBendtrans-85.6133.5168.4-63.4-71000110.3I219 N222I219-F224 HydrophobicContact CG2-CD2 4.46Å; I219-F224 HydrophobicContact CG2-CE2 3.48Å; I219-F224 VanDerWaalsContact CG2-CE2 3.48Å; I219-F224 HydrophobicContact CG2-CZ 3.67Å; N222-F224 VanDerWaalsContact C-N 3.26Å
225L60.4Low56.4Low139 Ų139122.3 Ų122.373%0.72869%0.692SS**  trans-59.7129.6166.5-126.875.8000108.8D227L225-D227 PolarHBondContact O-N 3.01Å
226P57.6Low55.2Low129 Ų129117.6 Ų117.684%0.83870%0.699SS**THydrogen-bonded Turntrans-69.3-1.8-176.427.9-35.8000114.3I228P226-I228 VanDerWaalsContact C-N 3.33Å; P226-I228 PolarHBondContact O-N 2.9Å
227D53.4Low53.7Low111 Ų111120.4 Ų120.459%0.59470%0.701SS**THydrogen-bonded Turntrans-85.11.4-168.6-134.515.3000114.3L225L225-D227 PolarHBondContact O-N 3.01Å
228I48.3Very low52.9Low149 Ų149123 Ų12376%0.76471%0.713SS**SBendtrans-125.389.4173.8-52.2-179.8000109.7P226 G230P226-I228 VanDerWaalsContact C-N 3.33Å; P226-I228 PolarHBondContact O-N 2.9Å; I228-G230 PolarHBondContact O-N 2.82Å
229P52.4Low51.8Low86 Ų86122.6 Ų122.656%0.55871%0.707SS**  trans-63.1104173.6-22.634.5000111.2Y246P229-Y246 HydrophobicContact CG-CD2 4.44Å
230G47.5Very low51Low36 Ų36127.1 Ų127.137%0.37173%0.726SS.*  trans-68171.2170.300000112.1I228 H232I228-G230 PolarHBondContact O-N 2.82Å; G230-H232 PolarHBondContact O-CD2 3.37Å; G230-H232 PolarHBondContact O-N 3.08Å
231P47.9Very low50.1Low140 Ų140127.6 Ų127.691%0.90973%0.734SS**  trans-71.776.7171.930.7-34.5000110.6G233P231-G233 PolarHBondContact O-N 2.71Å
232H45.3Very low49.4Very low174 Ų174131.2 Ų131.281%0.80674%0.743SS**  trans-67.6100.1179.8-77.1-86.5000111.1G230G230-H232 PolarHBondContact O-CD2 3.37Å; G230-H232 PolarHBondContact O-N 3.08Å
233G42.8Very low48.5Very low69 Ų69134.1 Ų134.171%0.71175%0.75SS**  trans-88.5121.2175.100000112.8P231P231-G233 PolarHBondContact O-N 2.71Å
234M45.2Very low47.7Very low175 Ų175133.8 Ų133.886%0.86276%0.755SS**SBendtrans54.160.7155.9-61.817964.700117.1
235A39.4Very low47.4Very low105 Ų105131.4 Ų131.487%0.86876%0.759SS**  trans-150139.4141.300000107.5
236G42.6Very low46.9Very low80 Ų80130.5 Ų130.583%0.82575%0.747SS**  cis160.540.61.100000113.5
237D35.8Very low46.8Very low160 Ų160130.6 Ų130.686%0.85675%0.745SS**  trans-150.1158.8167-147.8-20000110.1
238E49.7Very low46.9Very low194 Ų194132.6 Ų132.691%0.90775%0.746SS**  trans-10580.6-174.4-66.8-107116.800110.9
239E42.8Very low47.6Very low155 Ų155129.9 Ų129.972%0.72474%0.74SS**  trans-121116.6161.4-154-170.3137.700111S241E239-S241 PolarHBondContact O-N 2.97Å; E239-S241 WeakPolarHBondContact OE1-CB 3.42Å; E239-S241 PolarHBondContact OE1-OG 3.44Å
240E50.2Low48.4Very low210 Ų210129.7 Ų129.798%0.98173%0.734SS**  trans-7848.1173.5-160.6177153.900111.2E242E240-E242 PolarHBondContact O-N 2.91Å
241S42.9Very low49.8Very low75 Ų75132.9 Ų132.952%0.52474%0.738SS.*  trans-86.9109.6-178.5-123.60000111.1E239 K243E239-S241 PolarHBondContact O-N 2.97Å; E239-S241 WeakPolarHBondContact OE1-CB 3.42Å; E239-S241 PolarHBondContact OE1-OG 3.44Å; S241-K243 VanDerWaalsContact C-N 3.33Å; S241-K243 PolarHBondContact O-N 2.99Å
242E50.1Low51.4Low188 Ų188126.5 Ų126.588%0.87970%0.696SS**  trans11.369168.6-164.8168.2-152.400115.5E240 P244E240-E242 PolarHBondContact O-N 2.91Å; E242-P244 WeakPolarHBondContact O-CD 3.14Å
243K42.3Very low53.1Low189 Ų189121.3 Ų121.382%0.82268%0.678SS**  trans-49.8107.1-176-178.1176.5-169.6165.30109.8S241 A245S241-K243 VanDerWaalsContact C-N 3.33Å; S241-K243 PolarHBondContact O-N 2.99Å; K243-A245 PolarHBondContact O-N 3.36Å
244P46.1Very low54.9Low115 Ų115123.1 Ų123.175%0.74768%0.677SS**  trans-68.1105.4-173.325.6-32.5000107.4E242 Y246E242-P244 WeakPolarHBondContact O-CD 3.14Å; P244-Y246 PolarHBondContact O-N 2.75Å
245A53.1Low56.6Low81 Ų81119.3 Ų119.367%0.66967%0.665SS**  trans-64.594.8169.700000105.8K243 T247K243-A245 PolarHBondContact O-N 3.36Å; A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 WeakPolarHBondContact O-CA 3.16Å; A245-T247 PolarHBondContact O-N 2.92Å; A245-T247 PolarHBondContact O-OG1 2.82Å
246Y49.2Very low58.4Low119 Ų119117.1 Ų117.147%0.46764%0.636SS.*  trans-55.292.1-173.3178.1-100.5000109P229 P244 Y248P229-Y246 HydrophobicContact CG-CD2 4.44Å; P244-Y246 PolarHBondContact O-N 2.75Å; Y246-Y248 HydrophobicContact CD1-CD1 4.38Å; Y246-Y248 HydrophobicContact CD1-CG 4.13Å; Y246-Y248 AromaticContact CE1-CD1 3.35Å; Y246-Y248 HydrophobicContact CE1-CD1 3.35Å; Y246-Y248 AromaticContact CE1-CD2 3.92Å; Y246-Y248 HydrophobicContact CE1-CD2 3.92Å; Y246-Y248 AromaticContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE2 4.32Å; Y246-Y248 AromaticContact CE1-CG 3.45Å; Y246-Y248 HydrophobicContact CE1-CG 3.45Å; Y246-Y248 VanDerWaalsContact CE1-CG 3.45Å; Y246-Y248 AromaticContact CZ-CD1 3.68Å; Y246-Y248 AromaticContact CZ-CE1 3.91Å; Y246-Y248 PolarHBondContact O-N 2.98Å; Y246-Y248 WeakPolarHBondContact OH-CD1 3.5Å; Y246-Y248 WeakPolarHBondContact OH-CE1 3.36Å
247T55.9Low60.2Low132 Ų132116.3 Ų116.381%0.8161%0.613SS**  trans-85.777.9-169.7-64.10000105.6A245 S249A245-T247 VanDerWaalsContact C-N 3.27Å; A245-T247 WeakPolarHBondContact O-CA 3.16Å; A245-T247 PolarHBondContact O-N 2.92Å; A245-T247 PolarHBondContact O-OG1 2.82Å; T247-S249 PolarHBondContact O-N 3.41Å
248Y55.5Low62.4Low153 Ų153113.6 Ų113.660%0.661%0.605SS**  trans-54.7132.2-171.2-149.51.2000109Y246 F251Y246-Y248 HydrophobicContact CD1-CD1 4.38Å; Y246-Y248 HydrophobicContact CD1-CG 4.13Å; Y246-Y248 AromaticContact CE1-CD1 3.35Å; Y246-Y248 HydrophobicContact CE1-CD1 3.35Å; Y246-Y248 AromaticContact CE1-CD2 3.92Å; Y246-Y248 HydrophobicContact CE1-CD2 3.92Å; Y246-Y248 AromaticContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE1 3.78Å; Y246-Y248 HydrophobicContact CE1-CE2 4.32Å; Y246-Y248 AromaticContact CE1-CG 3.45Å; Y246-Y248 HydrophobicContact CE1-CG 3.45Å; Y246-Y248 VanDerWaalsContact CE1-CG 3.45Å; Y246-Y248 AromaticContact CZ-CD1 3.68Å; Y246-Y248 AromaticContact CZ-CE1 3.91Å; Y246-Y248 PolarHBondContact O-N 2.98Å; Y246-Y248 WeakPolarHBondContact OH-CD1 3.5Å; Y246-Y248 WeakPolarHBondContact OH-CE1 3.36Å; Y248-F251 AromaticContact CD1-CE2 3.71Å; Y248-F251 HydrophobicContact CD1-CE2 3.71Å; Y248-F251 AromaticContact CD1-CZ 3.51Å; Y248-F251 HydrophobicContact CD1-CZ 3.51Å; Y248-F251 AromaticContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CZ 4.2Å; Y248-F251 AromaticContact CE1-CE2 3.88Å; Y248-F251 HydrophobicContact CE1-CE2 3.88Å; Y248-F251 AromaticContact CE1-CZ 3.39Å; Y248-F251 HydrophobicContact CE1-CZ 3.39Å; Y248-F251 AromaticContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CZ 4.08Å; Y248-F251 AromaticContact CG-CE2 3.58Å; Y248-F251 HydrophobicContact CG-CE2 3.58Å; Y248-F251 AromaticContact CG-CZ 3.92Å; Y248-F251 HydrophobicContact CG-CZ 3.92Å; Y248-F251 AromaticContact CZ-CE2 3.89Å; Y248-F251 AromaticContact CZ-CZ 3.66Å
249S63.2Low64.2Low92 Ų92109.9 Ų109.964%0.64358%0.583SS**  trans-52.8149.8-176.9-69.50000111.6T247 F251T247-S249 PolarHBondContact O-N 3.41Å; S249-F251 WeakPolarHBondContact O-CD2 3.11Å; S249-F251 WeakPolarHBondContact O-CE2 3.47Å; S249-F251 WeakPolarHBondContact O-CG 3.04Å; S249-F251 WeakPolarHBondContact O-CZ 3.29Å; S249-F251 PolarHBondContact O-N 3.21Å
250D68Low66.4Low82 Ų82105 Ų10544%0.43957%0.566SS.*  trans-72.1104.4-158.2-147.5-37000114L252 N257D250-L252 PolarHBondContact O-N 2.88Å; D250-L252 PolarHBondContact OD1-N 3.11Å; D250-N257 HydrophobicContact CB-CB 4.27Å; D250-N257 VanDerWaalsContact CG-CA 3.48Å; D250-N257 VanDerWaalsContact OD1-CA 3.24Å; D250-N257 WeakPolarHBondContact OD1-CA 3.44Å; D250-N257 VanDerWaalsContact OD2-CA 3.27Å; D250-N257 WeakPolarHBondContact OD2-CA 3.2Å; D250-N257 WeakPolarHBondContact OD2-CB 3.37Å; D250-N257 PolarHBondContact OD2-ND2 3.38Å
251F77.6Confident68.4Low103 Ų10396.8 Ų96.845%0.45253%0.529SS..  trans-42.9-26171.133.9-132.1000116.4Y248 S249Y248-F251 AromaticContact CD1-CE2 3.71Å; Y248-F251 HydrophobicContact CD1-CE2 3.71Å; Y248-F251 AromaticContact CD1-CZ 3.51Å; Y248-F251 HydrophobicContact CD1-CZ 3.51Å; Y248-F251 AromaticContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CE2 3.65Å; Y248-F251 HydrophobicContact CD2-CZ 4.2Å; Y248-F251 AromaticContact CE1-CE2 3.88Å; Y248-F251 HydrophobicContact CE1-CE2 3.88Å; Y248-F251 AromaticContact CE1-CZ 3.39Å; Y248-F251 HydrophobicContact CE1-CZ 3.39Å; Y248-F251 AromaticContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CE2 3.8Å; Y248-F251 HydrophobicContact CE2-CZ 4.08Å; Y248-F251 AromaticContact CG-CE2 3.58Å; Y248-F251 HydrophobicContact CG-CE2 3.58Å; Y248-F251 AromaticContact CG-CZ 3.92Å; Y248-F251 HydrophobicContact CG-CZ 3.92Å; Y248-F251 AromaticContact CZ-CE2 3.89Å; Y248-F251 AromaticContact CZ-CZ 3.66Å; S249-F251 WeakPolarHBondContact O-CD2 3.11Å; S249-F251 WeakPolarHBondContact O-CE2 3.47Å; S249-F251 WeakPolarHBondContact O-CG 3.04Å; S249-F251 WeakPolarHBondContact O-CZ 3.29Å; S249-F251 PolarHBondContact O-N 3.21Å
252L81.6Confident70.6Confident6 Ų698.5 Ų98.53%0.03152%0.524CS..SBendtrans-117.7130.9-164.3-54.1-178.3000110.9D250 F256 N257 W259 L261 Y287 L288 L291D250-L252 PolarHBondContact O-N 2.88Å; D250-L252 PolarHBondContact OD1-N 3.11Å; L252-F256 HydrophobicContact CB-CB 3.81Å; L252-F256 HydrophobicContact CD1-CB 4.32Å; L252-F256 VanDerWaalsContact CD1-O 3.29Å; L252-F256 WeakPolarHBondContact CD1-O 3.2Å; L252-N257 WeakPolarHBondContact O-CB 3.45Å; L252-W259 HydrophobicContact CD1-CB 4.15Å; L252-L261 HydrophobicContact CD1-CD2 4.09Å; L252-L261 HydrophobicContact CD1-CG 4.33Å; L252-Y287 HydrophobicContact CD2-CE1 4.26Å; L252-L288 HydrophobicContact CD1-CD2 3.99Å; L252-L288 HydrophobicContact CD2-CD2 3.51Å; L252-L288 HydrophobicContact CG-CD2 4.36Å; L252-L291 HydrophobicContact CD2-CD1 3.49Å; L252-L291 VanDerWaalsContact CD2-CD1 3.49Å
253P80.2Confident72.5Confident65 Ų6596.3 Ų96.342%0.42251%0.514SS..  trans-61.6139.7176.926.2-33.6000109.7F256 L284P253-F256 HydrophobicContact CG-CD2 4.47Å; P253-F256 WeakPolarHBondContact O-CB 3.48Å; P253-F256 WeakPolarHBondContact O-CD2 3.33Å; P253-F256 PolarHBondContact O-N 3.41Å; P253-L284 HydrophobicContact CG-CD1 4.01Å
254P81.8Confident74.8Confident107 Ų10789.8 Ų89.870%0.69549%0.487SS*.THydrogen-bonded Turntrans-51.6135.9173.6-28.135.6000111.3N257P254-N257 HydrophobicContact CG-CB 4.49Å
255P79.9Confident76.9Confident94 Ų9484.3 Ų84.361%0.6145%0.452SS*.THydrogen-bonded Turncis-92.93.210.538.5-37.8000114.9N257P255-N257 PolarHBondContact O-N 3.08Å
256F78.1Confident78.8Confident60 Ų6083 Ų8326%0.26344%0.436SS..G310 helixtrans-70.3-12.4-175.9-58.8-73.9000113.3L252 P253 C258 W259 L284L252-F256 HydrophobicContact CB-CB 3.81Å; L252-F256 HydrophobicContact CD1-CB 4.32Å; L252-F256 VanDerWaalsContact CD1-O 3.29Å; L252-F256 WeakPolarHBondContact CD1-O 3.2Å; P253-F256 HydrophobicContact CG-CD2 4.47Å; P253-F256 WeakPolarHBondContact O-CB 3.48Å; P253-F256 WeakPolarHBondContact O-CD2 3.33Å; P253-F256 PolarHBondContact O-N 3.41Å; F256-C258 VanDerWaalsContact C-N 3.27Å; F256-C258 PolarHBondContact O-N 3.43Å; F256-W259 HydrophobicContact CD1-CD2 4.18Å; F256-W259 AromaticContact CD1-CE2 3.94Å; F256-W259 HydrophobicContact CD1-CE3 4.05Å; F256-W259 AromaticContact CD1-CH2 3.53Å; F256-W259 HydrophobicContact CD1-CH2 3.53Å; F256-W259 AromaticContact CD1-CZ2 3.63Å; F256-W259 HydrophobicContact CD1-CZ2 3.63Å; F256-W259 AromaticContact CD1-CZ3 3.73Å; F256-W259 HydrophobicContact CD1-CZ3 3.73Å; F256-W259 AromaticContact CE1-CH2 3.7Å; F256-W259 HydrophobicContact CE1-CH2 3.7Å; F256-W259 AromaticContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ3 4.24Å; F256-W259 WeakPolarHBondContact O-CB 3.13Å; F256-W259 PolarHBondContact O-N 2.95Å; F256-L284 HydrophobicContact CD2-CD2 4.17Å; F256-L284 HydrophobicContact CE2-CD2 3.76Å; F256-L284 HydrophobicContact CZ-CD2 4.44Å
257N80.9Confident80.8Confident63 Ų6382.3 Ų82.334%0.33744%0.435SS..G310 helixtrans-54.7-39-178.295.2-93.1000112.3D250 L252 P254 P255 W259D250-N257 HydrophobicContact CB-CB 4.27Å; D250-N257 VanDerWaalsContact CG-CA 3.48Å; D250-N257 VanDerWaalsContact OD1-CA 3.24Å; D250-N257 WeakPolarHBondContact OD1-CA 3.44Å; D250-N257 VanDerWaalsContact OD2-CA 3.27Å; D250-N257 WeakPolarHBondContact OD2-CA 3.2Å; D250-N257 WeakPolarHBondContact OD2-CB 3.37Å; D250-N257 PolarHBondContact OD2-ND2 3.38Å; L252-N257 WeakPolarHBondContact O-CB 3.45Å; P254-N257 HydrophobicContact CG-CB 4.49Å; P255-N257 PolarHBondContact O-N 3.08Å; N257-W259 PolarHBondContact O-N 3.37Å
258C82.1Confident82.3Confident102 Ų10277.4 Ų77.469%0.68940%0.404SS*.G310 helixtrans-728.7177.9740000115.3F256F256-C258 VanDerWaalsContact C-N 3.27Å; F256-C258 PolarHBondContact O-N 3.43Å
259W87.2Confident83.7Confident116 Ų11672.6 Ų72.644%0.43939%0.386SS..  trans-94.4114.8-177.3-69.49.3000112.5L252 F256 N257 L261 L264L252-W259 HydrophobicContact CD1-CB 4.15Å; F256-W259 HydrophobicContact CD1-CD2 4.18Å; F256-W259 AromaticContact CD1-CE2 3.94Å; F256-W259 HydrophobicContact CD1-CE3 4.05Å; F256-W259 AromaticContact CD1-CH2 3.53Å; F256-W259 HydrophobicContact CD1-CH2 3.53Å; F256-W259 AromaticContact CD1-CZ2 3.63Å; F256-W259 HydrophobicContact CD1-CZ2 3.63Å; F256-W259 AromaticContact CD1-CZ3 3.73Å; F256-W259 HydrophobicContact CD1-CZ3 3.73Å; F256-W259 AromaticContact CE1-CH2 3.7Å; F256-W259 HydrophobicContact CE1-CH2 3.7Å; F256-W259 AromaticContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ2 3.93Å; F256-W259 HydrophobicContact CE1-CZ3 4.24Å; F256-W259 WeakPolarHBondContact O-CB 3.13Å; F256-W259 PolarHBondContact O-N 2.95Å; N257-W259 PolarHBondContact O-N 3.37Å; W259-L261 PolarHBondContact O-N 3.43Å; W259-L264 HydrophobicContact CB-CD1 3.91Å; W259-L264 HydrophobicContact CD2-CD1 4.1Å; W259-L264 HydrophobicContact CE3-CD1 3.68Å; W259-L264 HydrophobicContact CG-CD1 4.25Å; W259-L264 HydrophobicContact CZ3-CD1 4.48Å
260S89.3Confident84.8Confident52 Ų5271.9 Ų71.936%0.36438%0.378SS..  trans-66.9101.3169.3-175.60000111R262 Q263 L264S260-R262 PolarHBondContact O-N 3.35Å; S260-Q263 PolarHBondContact O-N 2.74Å; S260-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact OG-N 3.14Å; S260-L264 PolarHBondContact O-N 2.72Å
261L90.4Very high85.2Confident39 Ų3974.6 Ų74.620%0.20439%0.388CS..Hα-helixtrans-51.2-38.1173.9-72.9172.4000111.8L252 W259 L264 A265 L291 L292 E295L252-L261 HydrophobicContact CD1-CD2 4.09Å; L252-L261 HydrophobicContact CD1-CG 4.33Å; W259-L261 PolarHBondContact O-N 3.43Å; L261-L264 PolarHBondContact O-N 2.88Å; L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.98Å; L261-L291 HydrophobicContact CD1-CB 4.25Å; L261-L291 HydrophobicContact CD1-CD1 4.15Å; L261-L291 HydrophobicContact CD2-CB 4.07Å; L261-L291 HydrophobicContact CD2-CD1 4.45Å; L261-L292 HydrophobicContact CD2-CD2 3.9Å; L261-L292 HydrophobicContact CD2-CG 4.24Å; L261-E295 HydrophobicContact CB-CG 4.36Å
262R89.9Confident84.9Confident111 Ų11170.4 Ų70.442%0.41937%0.374SS..Hα-helixtrans-60.5-50.1176.1173.7152.4-68.9-144.2-4112.6S260 A265 V266 E295 I299S260-R262 PolarHBondContact O-N 3.35Å; R262-A265 PolarHBondContact O-N 2.88Å; R262-V266 WeakPolarHBondContact O-CG2 3.22Å; R262-V266 PolarHBondContact O-N 3.36Å; R262-E295 HydrophobicContact CB-CG 4.29Å; R262-E295 IonicContact CZ-OE1 3.53Å; R262-E295 IonicContact NE-OE1 2.63Å; R262-E295 PolarHBondContact NE-OE1 2.87Å; R262-E295 IonicContact NH2-OE1 3.34Å; R262-E295 PolarHBondContact NH2-OE1 2.99Å; R262-I299 HydrophobicContact CG-CD1 4.23Å
263Q90.7Very high84.4Confident142 Ų14278.9 Ų78.966%0.66441%0.406SS*.Hα-helixtrans-64.5-43.4179.6-67.6174.3-15.800111.1S260 V266 F267S260-Q263 PolarHBondContact O-N 2.74Å; S260-Q263 VanDerWaalsContact O-N 3.09Å; S260-Q263 PolarHBondContact OG-N 3.14Å; Q263-V266 PolarHBondContact O-N 2.77Å; Q263-F267 VanDerWaalsContact O-CB 3.3Å; Q263-F267 WeakPolarHBondContact O-CB 3.48Å; Q263-F267 PolarHBondContact O-N 2.92Å
264L90.6Very high83.5Confident51 Ų5179.2 Ų79.227%0.26742%0.422SS..Hα-helixtrans-63.3-41.8175.9-68.9177000112.3W259 S260 L261 L268 L292W259-L264 HydrophobicContact CB-CD1 3.91Å; W259-L264 HydrophobicContact CD2-CD1 4.1Å; W259-L264 HydrophobicContact CE3-CD1 3.68Å; W259-L264 HydrophobicContact CG-CD1 4.25Å; W259-L264 HydrophobicContact CZ3-CD1 4.48Å; S260-L264 PolarHBondContact O-N 2.72Å; L261-L264 PolarHBondContact O-N 2.88Å; L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 WeakPolarHBondContact O-CD1 3.32Å; L264-L268 WeakPolarHBondContact O-CG 3.45Å; L264-L268 PolarHBondContact O-N 3.01Å; L264-L292 HydrophobicContact CB-CD2 3.48Å; L264-L292 VanDerWaalsContact CB-CD2 3.48Å; L264-L292 HydrophobicContact CD1-CD2 4.4Å
265A90.8Very high83.1Confident0 Ų077.1 Ų77.10%041%0.413CS..Hα-helixtrans-64.4-44177.800000111.5L261 R262 H269 L292 E295 W296 I299L261-A265 WeakPolarHBondContact O-CB 3.43Å; L261-A265 PolarHBondContact O-N 2.98Å; R262-A265 PolarHBondContact O-N 2.88Å; A265-H269 PolarHBondContact O-N 2.92Å; A265-H269 PolarHBondContact O-ND1 3.2Å; A265-L292 HydrophobicContact CB-CD2 4.28Å; A265-E295 HydrophobicContact CB-CB 4.12Å; A265-E295 HydrophobicContact CB-CG 3.81Å; A265-W296 HydrophobicContact CB-CB 4.25Å; A265-I299 HydrophobicContact CB-CD1 4.16Å
266V92.3Very high82.3Confident55 Ų5579 Ų7933%0.33343%0.425SS..Hα-helixtrans-60.5-58.9172.6173.90000110.1R262 Q263 L268 H269 T270 I299R262-V266 WeakPolarHBondContact O-CG2 3.22Å; R262-V266 PolarHBondContact O-N 3.36Å; Q263-V266 PolarHBondContact O-N 2.77Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; V266-H269 PolarHBondContact O-N 3.12Å; V266-T270 HydrophobicContact CG1-CG2 3.95Å; V266-T270 PolarHBondContact O-N 3.36Å; V266-T270 PolarHBondContact O-OG1 3.03Å; V266-I299 HydrophobicContact CG2-CD1 3.89Å
267F90.9Very high82Confident104 Ų10483.3 Ų83.346%0.45644%0.44SS..Hα-helixtrans-52-46-175.6175.6-104.2000112.5Q263 H269 E271 G272Q263-F267 VanDerWaalsContact O-CB 3.3Å; Q263-F267 WeakPolarHBondContact O-CB 3.48Å; Q263-F267 PolarHBondContact O-N 2.92Å; F267-H269 VanDerWaalsContact C-N 3.29Å; F267-H269 PolarHBondContact O-N 2.79Å; F267-E271 HydrophobicContact CD2-CB 3.94Å; F267-E271 WeakPolarHBondContact CD2-OE2 3.3Å; F267-E271 HydrophobicContact CE2-CB 3.92Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.38Å; F267-E271 PolarHBondContact O-N 3.05Å; F267-G272 PolarHBondContact O-N 2.85Å
268L87.3Confident81.6Confident29 Ų2985.7 Ų85.715%0.15246%0.459CS..Hα-helixtrans-66.4-28.8179.7-70.5169.4000113.7L264 V266 R273 L292L264-L268 WeakPolarHBondContact O-CB 3.4Å; L264-L268 WeakPolarHBondContact O-CD1 3.32Å; L264-L268 WeakPolarHBondContact O-CG 3.45Å; L264-L268 PolarHBondContact O-N 3.01Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; L268-R273 WeakPolarHBondContact O-CD 3.21Å; L268-R273 WeakPolarHBondContact O-CG 3.46Å; L268-R273 PolarHBondContact O-N 2.92Å; L268-L292 HydrophobicContact CD1-CD1 3.84Å
269H85.3Confident81.3Confident51 Ų5189.6 Ų89.624%0.23646%0.464CS..Hα-helixtrans-94.4-24.4-177.8-68.593.6000114A265 V266 F267 R273 W296A265-H269 PolarHBondContact O-N 2.92Å; A265-H269 PolarHBondContact O-ND1 3.2Å; V266-H269 PolarHBondContact O-N 3.12Å; F267-H269 VanDerWaalsContact C-N 3.29Å; F267-H269 PolarHBondContact O-N 2.79Å; H269-R273 WeakPolarHBondContact O-CG 3.39Å; H269-R273 PolarHBondContact O-NH1 2.79Å; H269-W296 HydrophobicContact CB-CD2 3.63Å; H269-W296 HydrophobicContact CB-CE3 3.7Å; H269-W296 HydrophobicContact CB-CG 4.39Å; H269-W296 HydrophobicContact CB-CH2 3.67Å; H269-W296 HydrophobicContact CB-CZ2 3.6Å; H269-W296 HydrophobicContact CB-CZ3 3.72Å; H269-W296 AromaticContact CD2-CD1 3.62Å; H269-W296 AromaticContact CD2-CD2 3.95Å; H269-W296 AromaticContact CD2-CE2 3.82Å; H269-W296 AromaticContact CD2-CG 3.83Å; H269-W296 AromaticContact CD2-NE1 3.59Å; H269-W296 AromaticContact CE1-CD1 3.75Å; H269-W296 AromaticContact CE1-CG 3.43Å; H269-W296 VanDerWaalsContact CE1-CG 3.43Å; H269-W296 AromaticContact CG-CD1 3.86Å; H269-W296 AromaticContact CG-CD2 3.39Å; H269-W296 AromaticContact CG-CE2 3.54Å; H269-W296 AromaticContact CG-CE3 3.85Å; H269-W296 AromaticContact CG-CG 3.63Å; H269-W296 AromaticContact CG-NE1 3.8Å; H269-W296 AromaticContact ND1-CD1 3.94Å; H269-W296 AromaticContact ND1-CD2 3.45Å; H269-W296 AromaticContact ND1-CE3 3.8Å; H269-W296 AromaticContact ND1-CG 3.38Å; H269-W296 AromaticContact NE2-CD1 3.57Å; H269-W296 AromaticContact NE2-CG 3.74Å
270T85.1Confident80.9Confident77 Ų7785.7 Ų85.747%0.47245%0.454SS..Hα-helixtrans-92.6-47.2175.756.50000113.2V266V266-T270 HydrophobicContact CG1-CG2 3.95Å; V266-T270 PolarHBondContact O-N 3.36Å; V266-T270 PolarHBondContact O-OG1 3.03Å
271E77.3Confident80.4Confident139 Ų13989 Ų8965%0.6547%0.471SS*.THydrogen-bonded Turntrans-117.9-45-165.8-72.3155.3-125.900112.4F267 R273F267-E271 HydrophobicContact CD2-CB 3.94Å; F267-E271 WeakPolarHBondContact CD2-OE2 3.3Å; F267-E271 HydrophobicContact CE2-CB 3.92Å; F267-E271 WeakPolarHBondContact CE2-OE2 3.38Å; F267-E271 PolarHBondContact O-N 3.05Å; E271-R273 PolarHBondContact O-N 3.2Å; E271-R273 VanDerWaalsContact O-N 3.12Å
272G72.1Confident80.3Confident15 Ų1588.1 Ų88.116%0.15547%0.472CS..G310 helixtrans-70.5-4.1-176.700000115.7F267 G274 A275F267-G272 PolarHBondContact O-N 2.85Å; G272-G274 PolarHBondContact O-N 3.44Å; G272-A275 WeakPolarHBondContact O-CB 3.36Å; G272-A275 PolarHBondContact O-N 3.01Å
273R70.6Confident80.2Confident184 Ų18488.3 Ų88.369%0.69449%0.488SS*.G310 helixtrans-58-21.9-174.7-69.1-74.5-84.4-78.86.9114.9L268 H269 E271L268-R273 WeakPolarHBondContact O-CD 3.21Å; L268-R273 WeakPolarHBondContact O-CG 3.46Å; L268-R273 PolarHBondContact O-N 2.92Å; H269-R273 WeakPolarHBondContact O-CG 3.39Å; H269-R273 PolarHBondContact O-NH1 2.79Å; E271-R273 PolarHBondContact O-N 3.2Å; E271-R273 VanDerWaalsContact O-N 3.12Å
274G61.9Low80Confident73 Ų7384.5 Ų84.575%0.75347%0.472SS*.G310 helixtrans-93.9-8.5178.500000115.4G272 P276G272-G274 PolarHBondContact O-N 3.44Å; G274-P276 WeakPolarHBondContact O-CD 3.47Å
275A71.7Confident79.9Confident63 Ų6386.6 Ų86.652%0.52148%0.48SS..SBendtrans-77.9127.2-175.400000111.5G272 R277G272-A275 WeakPolarHBondContact O-CB 3.36Å; G272-A275 PolarHBondContact O-N 3.01Å; A275-R277 PolarHBondContact O-N 3.02Å
276P63.9Low79.8Confident133 Ų13392 Ų9286%0.86450%0.504SS*.  trans-67.390171.8-18.832.8000110.8G274G274-P276 WeakPolarHBondContact O-CD 3.47Å
277R70.8Confident79.7Confident150 Ų15094.4 Ų94.457%0.56651%0.507SS*.PPolyproline II helixtrans-73.5139.4176.1-100.2-172.7165.8-160.3-6.4111.1A275A275-R277 PolarHBondContact O-N 3.02Å
278P73.8Confident79.6Confident114 Ų11490.4 Ų90.474%0.7449%0.491SS*.PPolyproline II helixtrans-59.9144.8161.428.5-33.8000109.2
279K75.1Confident79.7Confident183 Ų18392.9 Ų92.980%0.79650%0.501SS*.PPolyproline II helixtrans-64.1139.3171-64.1177.5179.6177.80108.5V281K279-V281 VanDerWaalsContact O-CG2 3.32Å; K279-V281 WeakPolarHBondContact O-CG2 3.42Å; K279-V281 PolarHBondContact O-N 3.26Å; K279-V281 VanDerWaalsContact O-N 3.08Å
280P80.1Confident80Confident34 Ų3497 Ų9722%0.22152%0.515CS..  trans-63.5113.9175.926.5-34.1000110E285 K286P280-E285 HydrophobicContact CB-CB 3.55Å; P280-K286 HydrophobicContact CB-CG 3.96Å; P280-K286 HydrophobicContact CG-CG 4.13Å; P280-K286 WeakPolarHBondContact O-CE 3.47Å
281V77.7Confident80.4Confident121 Ų12194.9 Ų94.973%0.73350%0.5SS*.  trans-86.7-47.4-176.5-170.10000109.3K279 E285 K286K279-V281 VanDerWaalsContact O-CG2 3.32Å; K279-V281 WeakPolarHBondContact O-CG2 3.42Å; K279-V281 PolarHBondContact O-N 3.26Å; K279-V281 VanDerWaalsContact O-N 3.08Å; V281-E285 WeakPolarHBondContact CA-OE2 3.26Å; V281-E285 PolarHBondContact N-OE2 3.45Å; V281-K286 PolarHBondContact O-NZ 3.47Å
282G88.1Confident81Confident22 Ų2288.9 Ų88.923%0.22747%0.473CS..SBendtrans-82.6158.5-175.300000114.9L284 E285 K286G282-L284 VanDerWaalsContact C-N 3.35Å; G282-L284 PolarHBondContact O-N 2.91Å; G282-E285 PolarHBondContact N-OE2 3.25Å; G282-E285 PolarHBondContact O-N 3.47Å; G282-K286 WeakPolarHBondContact O-CG 3.32Å; G282-K286 PolarHBondContact O-N 3.21Å; G282-K286 VanDerWaalsContact O-N 3.17Å
283P87.6Confident82Confident115 Ų11592 Ų9275%0.74748%0.484SS*.Hα-helixtrans-59.7-41.8173.5-23.634.4000113.1E285 K286 Y287P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 2.87Å; P283-K286 PolarHBondContact O-N 3.46Å; P283-Y287 PolarHBondContact O-N 3.03Å
284L86.9Confident83.2Confident62 Ų6287 Ų8733%0.32547%0.47SS..Hα-helixtrans-61.6-40.3176.3177.761.1000112P253 F256 G282 K286 Y287 L288P253-L284 HydrophobicContact CG-CD1 4.01Å; F256-L284 HydrophobicContact CD2-CD2 4.17Å; F256-L284 HydrophobicContact CE2-CD2 3.76Å; F256-L284 HydrophobicContact CZ-CD2 4.44Å; G282-L284 VanDerWaalsContact C-N 3.35Å; G282-L284 PolarHBondContact O-N 2.91Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 3.28Å; L284-Y287 HydrophobicContact CD1-CD1 4.42Å; L284-Y287 PolarHBondContact O-N 2.83Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.05Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.49Å
285E88.2Confident84.7Confident94 Ų9485 Ų8544%0.43944%0.441SS..Hα-helixtrans-67.6-36.3-179.9-57.1177.5147.800111.5P280 V281 G282 P283 E289P280-E285 HydrophobicContact CB-CB 3.55Å; V281-E285 WeakPolarHBondContact CA-OE2 3.26Å; V281-E285 PolarHBondContact N-OE2 3.45Å; G282-E285 PolarHBondContact N-OE2 3.25Å; G282-E285 PolarHBondContact O-N 3.47Å; P283-E285 VanDerWaalsContact C-N 3.33Å; P283-E285 PolarHBondContact O-N 2.87Å; E285-E289 WeakPolarHBondContact O-CB 3.14Å; E285-E289 PolarHBondContact O-N 2.86Å
286K89.7Confident85.7Confident115 Ų11584.3 Ų84.350%0.543%0.425SS..Hα-helixtrans-69.4-37.4173.4-66.9168.6-174.3166.30111.9P280 V281 G282 P283 L284 R290P280-K286 HydrophobicContact CB-CG 3.96Å; P280-K286 HydrophobicContact CG-CG 4.13Å; P280-K286 WeakPolarHBondContact O-CE 3.47Å; V281-K286 PolarHBondContact O-NZ 3.47Å; G282-K286 WeakPolarHBondContact O-CG 3.32Å; G282-K286 PolarHBondContact O-N 3.21Å; G282-K286 VanDerWaalsContact O-N 3.17Å; P283-K286 PolarHBondContact O-N 3.46Å; L284-K286 VanDerWaalsContact C-N 3.34Å; L284-K286 PolarHBondContact O-N 3.28Å; K286-R290 WeakPolarHBondContact O-CB 3.46Å; K286-R290 PolarHBondContact O-N 3Å
287Y89.4Confident87.2Confident105 Ų10582.6 Ų82.641%0.41241%0.408SS..Hα-helixtrans-64.8-47.3173.1176.6-111.2000111.5L252 P283 L284 E289 R290 L291L252-Y287 HydrophobicContact CD2-CE1 4.26Å; P283-Y287 PolarHBondContact O-N 3.03Å; L284-Y287 HydrophobicContact CD1-CD1 4.42Å; L284-Y287 PolarHBondContact O-N 2.83Å; Y287-E289 PolarHBondContact O-N 3.48Å; Y287-R290 PolarHBondContact O-N 3.36Å; Y287-R290 VanDerWaalsContact O-N 3.16Å; Y287-L291 HydrophobicContact CD1-CD1 3.97Å; Y287-L291 HydrophobicContact CE1-CD1 3.45Å; Y287-L291 VanDerWaalsContact CE1-CD1 3.45Å; Y287-L291 HydrophobicContact CE1-CG 4.26Å; Y287-L291 HydrophobicContact CE2-CD1 4.22Å; Y287-L291 HydrophobicContact CE2-CD2 4.36Å; Y287-L291 HydrophobicContact CE2-CG 4.18Å; Y287-L291 WeakPolarHBondContact O-CG 3.48Å; Y287-L291 PolarHBondContact O-N 2.91Å
288L89.1Confident88.3Confident20 Ų2080.6 Ų80.611%0.10541%0.405CS..Hα-helixtrans-59-46.3174.1-75167.4000112L252 L284 R290 L291 L292L252-L288 HydrophobicContact CD1-CD2 3.99Å; L252-L288 HydrophobicContact CD2-CD2 3.51Å; L252-L288 HydrophobicContact CG-CD2 4.36Å; L284-L288 HydrophobicContact CD1-CD1 4.32Å; L284-L288 HydrophobicContact CD1-CG 4.33Å; L284-L288 HydrophobicContact CG-CD1 4.05Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 3.49Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 3.25Å; L288-L292 WeakPolarHBondContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CD1 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 3.29Å
289E89.9Confident89.2Confident80 Ų8076.1 Ų76.137%0.37438%0.375SS..Hα-helixtrans-59.8-42.1174.7-174.6176.8-109.500111.4E285 Y287 L292 Q293E285-E289 WeakPolarHBondContact O-CB 3.14Å; E285-E289 PolarHBondContact O-N 2.86Å; Y287-E289 PolarHBondContact O-N 3.48Å; E289-L292 PolarHBondContact O-N 2.8Å; E289-Q293 WeakPolarHBondContact O-CG 3.33Å; E289-Q293 PolarHBondContact O-N 2.92Å
290R92Very high90.1Very high137 Ų13772.1 Ų72.152%0.51736%0.359SS..Hα-helixtrans-67.4-39.8178.9-174.554.8177.5172.72.5112.9K286 Y287 L288 Q293 L294K286-R290 WeakPolarHBondContact O-CB 3.46Å; K286-R290 PolarHBondContact O-N 3Å; Y287-R290 PolarHBondContact O-N 3.36Å; Y287-R290 VanDerWaalsContact O-N 3.16Å; L288-R290 VanDerWaalsContact C-N 3.31Å; L288-R290 PolarHBondContact O-N 2.84Å; R290-Q293 WeakPolarHBondContact O-CB 3.43Å; R290-Q293 PolarHBondContact O-N 2.64Å; R290-L294 HydrophobicContact CG-CD1 4.2Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.21Å; R290-L294 VanDerWaalsContact O-N 3.08Å
291L91.8Very high90.7Very high33 Ų3373.3 Ų73.317%0.17337%0.366CS..Hα-helixtrans-60.8-44.9172.8-75176.1000111.4L252 L261 Y287 L288 Q293 L294 E295L252-L291 HydrophobicContact CD2-CD1 3.49Å; L252-L291 VanDerWaalsContact CD2-CD1 3.49Å; L261-L291 HydrophobicContact CD1-CB 4.25Å; L261-L291 HydrophobicContact CD1-CD1 4.15Å; L261-L291 HydrophobicContact CD2-CB 4.07Å; L261-L291 HydrophobicContact CD2-CD1 4.45Å; Y287-L291 HydrophobicContact CD1-CD1 3.97Å; Y287-L291 HydrophobicContact CE1-CD1 3.45Å; Y287-L291 VanDerWaalsContact CE1-CD1 3.45Å; Y287-L291 HydrophobicContact CE1-CG 4.26Å; Y287-L291 HydrophobicContact CE2-CD1 4.22Å; Y287-L291 HydrophobicContact CE2-CD2 4.36Å; Y287-L291 HydrophobicContact CE2-CG 4.18Å; Y287-L291 WeakPolarHBondContact O-CG 3.48Å; Y287-L291 PolarHBondContact O-N 2.91Å; L288-L291 PolarHBondContact O-N 3.25Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-L294 PolarHBondContact O-N 3.21Å; L291-L294 VanDerWaalsContact O-N 3.11Å; L291-E295 PolarHBondContact O-N 3.13Å
292L91.5Very high91.4Very high14 Ų1470.8 Ų70.87%0.07335%0.35CS..Hα-helixtrans-66.4-31.5179.1-67.4165.8000112.8L261 L264 A265 L268 L288 E289 W296L261-L292 HydrophobicContact CD2-CD2 3.9Å; L261-L292 HydrophobicContact CD2-CG 4.24Å; L264-L292 HydrophobicContact CB-CD2 3.48Å; L264-L292 VanDerWaalsContact CB-CD2 3.48Å; L264-L292 HydrophobicContact CD1-CD2 4.4Å; A265-L292 HydrophobicContact CB-CD2 4.28Å; L268-L292 HydrophobicContact CD1-CD1 3.84Å; L288-L292 WeakPolarHBondContact O-CB 3.26Å; L288-L292 WeakPolarHBondContact O-CD1 3.49Å; L288-L292 WeakPolarHBondContact O-CG 3.5Å; L288-L292 PolarHBondContact O-N 3.29Å; E289-L292 PolarHBondContact O-N 2.8Å; L292-W296 VanDerWaalsContact O-CB 3.26Å; L292-W296 WeakPolarHBondContact O-CB 3.34Å; L292-W296 PolarHBondContact O-N 2.93Å; L292-W296 VanDerWaalsContact O-N 3.14Å
293Q93.2Very high91.4Very high81 Ų8175.9 Ų75.938%0.37937%0.368SS..Hα-helixtrans-65.7-41.7169.3-71.4168.811.400112.2E289 R290 L291 L297E289-Q293 WeakPolarHBondContact O-CG 3.33Å; E289-Q293 PolarHBondContact O-N 2.92Å; R290-Q293 WeakPolarHBondContact O-CB 3.43Å; R290-Q293 PolarHBondContact O-N 2.64Å; L291-Q293 VanDerWaalsContact C-N 3.32Å; L291-Q293 PolarHBondContact O-N 2.85Å; Q293-L297 WeakPolarHBondContact O-CB 3.15Å; Q293-L297 PolarHBondContact O-N 3.42Å
294L94Very high91.3Very high78 Ų7872.8 Ų72.841%0.40835%0.353SS..Hα-helixtrans-72.7-44.8-177.3-70.5168.2000111.8R290 L291 W296 L297 Q298R290-L294 HydrophobicContact CG-CD1 4.2Å; R290-L294 VanDerWaalsContact O-CG 3.32Å; R290-L294 WeakPolarHBondContact O-CG 3.47Å; R290-L294 PolarHBondContact O-N 3.21Å; R290-L294 VanDerWaalsContact O-N 3.08Å; L291-L294 PolarHBondContact O-N 3.21Å; L291-L294 VanDerWaalsContact O-N 3.11Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 3.17Å; L294-L297 PolarHBondContact O-N 2.65Å; L294-Q298 WeakPolarHBondContact O-CB 3.44Å; L294-Q298 PolarHBondContact O-N 3.29Å
295E93.3Very high91.1Very high31 Ų3175.4 Ų75.415%0.14536%0.363CS..Hα-helixtrans-61.8-40.6173.7177.259.2-143.300111.2L261 R262 A265 L291 Q298 I299L261-E295 HydrophobicContact CB-CG 4.36Å; R262-E295 HydrophobicContact CB-CG 4.29Å; R262-E295 IonicContact CZ-OE1 3.53Å; R262-E295 IonicContact NE-OE1 2.63Å; R262-E295 PolarHBondContact NE-OE1 2.87Å; R262-E295 IonicContact NH2-OE1 3.34Å; R262-E295 PolarHBondContact NH2-OE1 2.99Å; A265-E295 HydrophobicContact CB-CB 4.12Å; A265-E295 HydrophobicContact CB-CG 3.81Å; L291-E295 PolarHBondContact O-N 3.13Å; E295-Q298 PolarHBondContact O-N 2.83Å; E295-I299 HydrophobicContact CG-CD1 4.06Å; E295-I299 WeakPolarHBondContact O-CD1 3.41Å; E295-I299 VanDerWaalsContact O-CG1 3.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.06Å; E295-I299 PolarHBondContact O-N 3.47Å
296W94.4Very high90.7Very high49 Ų4975.5 Ų75.519%0.18637%0.374CS..Hα-helixtrans-62.7-42.7173.6-179.6-108.8000112.5A265 H269 L292 L294 Q298 I299 Q300A265-W296 HydrophobicContact CB-CB 4.25Å; H269-W296 HydrophobicContact CB-CD2 3.63Å; H269-W296 HydrophobicContact CB-CE3 3.7Å; H269-W296 HydrophobicContact CB-CG 4.39Å; H269-W296 HydrophobicContact CB-CH2 3.67Å; H269-W296 HydrophobicContact CB-CZ2 3.6Å; H269-W296 HydrophobicContact CB-CZ3 3.72Å; H269-W296 AromaticContact CD2-CD1 3.62Å; H269-W296 AromaticContact CD2-CD2 3.95Å; H269-W296 AromaticContact CD2-CE2 3.82Å; H269-W296 AromaticContact CD2-CG 3.83Å; H269-W296 AromaticContact CD2-NE1 3.59Å; H269-W296 AromaticContact CE1-CD1 3.75Å; H269-W296 AromaticContact CE1-CG 3.43Å; H269-W296 VanDerWaalsContact CE1-CG 3.43Å; H269-W296 AromaticContact CG-CD1 3.86Å; H269-W296 AromaticContact CG-CD2 3.39Å; H269-W296 AromaticContact CG-CE2 3.54Å; H269-W296 AromaticContact CG-CE3 3.85Å; H269-W296 AromaticContact CG-CG 3.63Å; H269-W296 AromaticContact CG-NE1 3.8Å; H269-W296 AromaticContact ND1-CD1 3.94Å; H269-W296 AromaticContact ND1-CD2 3.45Å; H269-W296 AromaticContact ND1-CE3 3.8Å; H269-W296 AromaticContact ND1-CG 3.38Å; H269-W296 AromaticContact NE2-CD1 3.57Å; H269-W296 AromaticContact NE2-CG 3.74Å; L292-W296 VanDerWaalsContact O-CB 3.26Å; L292-W296 WeakPolarHBondContact O-CB 3.34Å; L292-W296 PolarHBondContact O-N 2.93Å; L292-W296 VanDerWaalsContact O-N 3.14Å; L294-W296 VanDerWaalsContact C-N 3.33Å; L294-W296 PolarHBondContact O-N 3.17Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.84Å; W296-I299 HydrophobicContact CE3-CD1 4.3Å; W296-I299 HydrophobicContact CE3-CG2 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 4.28Å; W296-I299 PolarHBondContact O-N 3.19Å; W296-Q300 HydrophobicContact CD2-CG 4.41Å; W296-Q300 HydrophobicContact CZ2-CG 4.06Å; W296-Q300 VanDerWaalsContact NE1-NE2 3.17Å; W296-Q300 WeakPolarHBondContact O-CG 3.42Å; W296-Q300 PolarHBondContact O-N 2.74Å
297L93.8Very high89.8Confident96 Ų9674.3 Ų74.350%0.50338%0.381SS..Hα-helixtrans-62.6-37.8174.6179.862.2000111.9Q293 L294 Q300 T301Q293-L297 WeakPolarHBondContact O-CB 3.15Å; Q293-L297 PolarHBondContact O-N 3.42Å; L294-L297 PolarHBondContact O-N 2.65Å; L297-Q300 PolarHBondContact O-N 3.42Å; L297-T301 WeakPolarHBondContact O-CB 3.42Å; L297-T301 PolarHBondContact O-N 3.16Å; L297-T301 PolarHBondContact O-OG1 2.75Å
298Q94.9Very high88.7Confident108 Ų10876.9 Ų76.951%0.50539%0.39SS..Hα-helixtrans-65.8-43.3174.9-176.1174.2-12.800111.5L294 E295 W296 Q300 T301 V302L294-Q298 WeakPolarHBondContact O-CB 3.44Å; L294-Q298 PolarHBondContact O-N 3.29Å; E295-Q298 PolarHBondContact O-N 2.83Å; W296-Q298 VanDerWaalsContact C-N 3.31Å; W296-Q298 PolarHBondContact O-N 2.84Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 3.36Å; Q298-T301 PolarHBondContact O-N 3.06Å; Q298-V302 WeakPolarHBondContact O-CB 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.32Å; Q298-V302 PolarHBondContact O-N 3.43Å
299I92.5Very high87.4Confident20 Ų2080.6 Ų80.610%0.10342%0.415CS..Hα-helixtrans-58.6-45.7172.4-67.4159.4000110.6R262 A265 V266 E295 W296 T301 Q303R262-I299 HydrophobicContact CG-CD1 4.23Å; A265-I299 HydrophobicContact CB-CD1 4.16Å; V266-I299 HydrophobicContact CG2-CD1 3.89Å; E295-I299 HydrophobicContact CG-CD1 4.06Å; E295-I299 WeakPolarHBondContact O-CD1 3.41Å; E295-I299 VanDerWaalsContact O-CG1 3.26Å; E295-I299 WeakPolarHBondContact O-CG1 3.06Å; E295-I299 PolarHBondContact O-N 3.47Å; W296-I299 HydrophobicContact CE3-CD1 4.3Å; W296-I299 HydrophobicContact CE3-CG2 4.44Å; W296-I299 HydrophobicContact CZ3-CG2 4.28Å; W296-I299 PolarHBondContact O-N 3.19Å; I299-T301 PolarHBondContact O-N 2.74Å; I299-Q303 WeakPolarHBondContact O-CB 3.39Å; I299-Q303 VanDerWaalsContact O-CG 3.23Å; I299-Q303 WeakPolarHBondContact O-CG 3.21Å; I299-Q303 PolarHBondContact O-N 2.72Å
300Q93.7Very high85.6Confident99 Ų9982.7 Ų82.746%0.46344%0.435SS..Hα-helixtrans-63.1-40.2176.8-72.3-172-41.300112.6W296 L297 Q298 Q303 A304W296-Q300 HydrophobicContact CD2-CG 4.41Å; W296-Q300 HydrophobicContact CZ2-CG 4.06Å; W296-Q300 VanDerWaalsContact NE1-NE2 3.17Å; W296-Q300 WeakPolarHBondContact O-CG 3.42Å; W296-Q300 PolarHBondContact O-N 2.74Å; L297-Q300 PolarHBondContact O-N 3.42Å; Q298-Q300 VanDerWaalsContact C-N 3.34Å; Q298-Q300 PolarHBondContact O-N 3.36Å; Q300-Q303 PolarHBondContact O-N 3.29Å; Q300-A304 VanDerWaalsContact O-CB 3.29Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.02Å
301T92.8Very high83.9Confident59 Ų5979.6 Ų79.636%0.36245%0.446SS..Hα-helixtrans-66.1-50.3178.5-57.40000110.9L297 Q298 I299 Q303 A304 E305L297-T301 WeakPolarHBondContact O-CB 3.42Å; L297-T301 PolarHBondContact O-N 3.16Å; L297-T301 PolarHBondContact O-OG1 2.75Å; Q298-T301 PolarHBondContact O-N 3.06Å; I299-T301 PolarHBondContact O-N 2.74Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 2.72Å; T301-A304 CarbonylContact O-C 3.49Å; T301-A304 WeakPolarHBondContact O-CA 3.28Å; T301-A304 PolarHBondContact O-N 2.63Å; T301-E305 HydrophobicContact CG2-CG 4.42Å; T301-E305 WeakPolarHBondContact O-CG 3.24Å; T301-E305 PolarHBondContact O-N 2.76Å
302V91.6Very high81.8Confident68 Ų6880.1 Ų80.141%0.41246%0.46SS..Hα-helixtrans-58.7-38.2177171.40000111.5Q298 E305 S306Q298-V302 WeakPolarHBondContact O-CB 3.23Å; Q298-V302 WeakPolarHBondContact O-CG2 3.32Å; Q298-V302 PolarHBondContact O-N 3.43Å; V302-E305 PolarHBondContact O-N 2.79Å; V302-S306 WeakPolarHBondContact O-CB 3.4Å; V302-S306 PolarHBondContact O-N 3.02Å
303Q88.3Confident80Confident129 Ų12991.3 Ų91.360%0.60350%0.501SS*.Hα-helixtrans-69.1-37.4173.6-69.7-71.4-8.200112.6I299 Q300 T301 E305 S307I299-Q303 WeakPolarHBondContact O-CB 3.39Å; I299-Q303 VanDerWaalsContact O-CG 3.23Å; I299-Q303 WeakPolarHBondContact O-CG 3.21Å; I299-Q303 PolarHBondContact O-N 2.72Å; Q300-Q303 PolarHBondContact O-N 3.29Å; T301-Q303 VanDerWaalsContact C-N 3.27Å; T301-Q303 PolarHBondContact O-N 2.72Å; Q303-E305 VanDerWaalsContact C-N 3.29Å; Q303-E305 PolarHBondContact O-N 3.07Å; Q303-S307 VanDerWaalsContact O-CB 3.28Å; Q303-S307 WeakPolarHBondContact O-CB 3.47Å; Q303-S307 PolarHBondContact O-N 2.8Å; Q303-S307 VanDerWaalsContact O-N 3.13Å; Q303-S307 PolarHBondContact O-OG 3.24Å
304A86.2Confident77.8Confident51 Ų5193.1 Ų93.142%0.42152%0.518SS..Hα-helixtrans-75.5-13.9176.800000114.4Q300 T301 R308Q300-A304 VanDerWaalsContact O-CB 3.29Å; Q300-A304 WeakPolarHBondContact O-CB 3.29Å; Q300-A304 PolarHBondContact O-N 3.02Å; T301-A304 CarbonylContact O-C 3.49Å; T301-A304 WeakPolarHBondContact O-CA 3.28Å; T301-A304 PolarHBondContact O-N 2.63Å; A304-R308 PolarHBondContact O-NE 3.12Å
305E83.3Confident75.4Confident116 Ų11699.1 Ų99.154%0.54254%0.535SS..Hα-helixtrans-95.1-48.6172.3-71.3175.2163.400110.9T301 V302 Q303 S307 R308T301-E305 HydrophobicContact CG2-CG 4.42Å; T301-E305 WeakPolarHBondContact O-CG 3.24Å; T301-E305 PolarHBondContact O-N 2.76Å; V302-E305 PolarHBondContact O-N 2.79Å; Q303-E305 VanDerWaalsContact C-N 3.29Å; Q303-E305 PolarHBondContact O-N 3.07Å; E305-S307 PolarHBondContact O-N 3.26Å; E305-R308 VanDerWaalsContact O-CB 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.44Å; E305-R308 PolarHBondContact O-N 3.42Å
306S78.8Confident73.3Confident97 Ų97104 Ų10468%0.67857%0.57SS**Hα-helixtrans-64.3-18.4177-173.70000114V302 R308V302-S306 WeakPolarHBondContact O-CB 3.4Å; V302-S306 PolarHBondContact O-N 3.02Å; S306-R308 VanDerWaalsContact C-N 3.33Å
307S70.6Confident71Confident90 Ų90108.2 Ų108.263%0.62959%0.591SS**THydrogen-bonded Turntrans-85.6-1.2171.952.30000113.8Q303 E305Q303-S307 VanDerWaalsContact O-CB 3.28Å; Q303-S307 WeakPolarHBondContact O-CB 3.47Å; Q303-S307 PolarHBondContact O-N 2.8Å; Q303-S307 VanDerWaalsContact O-N 3.13Å; Q303-S307 PolarHBondContact O-OG 3.24Å; E305-S307 PolarHBondContact O-N 3.26Å
308R68.1Low68.3Low159 Ų159107.4 Ų107.460%0.659%0.594SS**SBendtrans-89.7125170.2-60.9174.8-176.7-1120.6108.9A304 E305 S306A304-R308 PolarHBondContact O-NE 3.12Å; E305-R308 VanDerWaalsContact O-CB 3.32Å; E305-R308 WeakPolarHBondContact O-CB 3.44Å; E305-R308 PolarHBondContact O-N 3.42Å; S306-R308 VanDerWaalsContact C-N 3.33Å
309P61.9Low65.8Low97 Ų97109.7 Ų109.763%0.6360%0.602SS**PPolyproline II helixtrans-64.9137.8-18025.6-33.4000111.2G311 G312P309-G311 PolarHBondContact O-N 2.81Å; P309-G312 PolarHBondContact O-N 2.74Å
310P50.3Low63.5Low124 Ų124114.7 Ų114.781%0.80564%0.636SS**THydrogen-bonded Turntrans-52.1136172.7-27.335.5000111.7
311G57.3Low61Low72 Ų72114.5 Ų114.574%0.74265%0.646SS**THydrogen-bonded Turntrans94.3-12.8-171.700000114.9P309 R313P309-G311 PolarHBondContact O-N 2.81Å; G311-R313 PolarHBondContact O-N 2.85Å
312G47.3Very low58.6Low45 Ų45117.5 Ų117.546%0.46467%0.669SS.*  trans-70.954.3176.400000115.7P309 T314P309-G312 PolarHBondContact O-N 2.74Å; G312-T314 PolarHBondContact O-N 3.47Å
313R53Low56.2Low249 Ų249120.3 Ų120.394%0.9469%0.686SS**  trans-73.155.5175.4-79.2-164.8174.3-144.31.2112.9G311 R315G311-R313 PolarHBondContact O-N 2.85Å; R313-R315 PolarHBondContact O-N 2.71Å; R313-R315 VanDerWaalsContact O-N 3.12Å
314T47.6Very low53.9Low119 Ų119118.4 Ų118.473%0.7369%0.693SS**  trans-76.796.5167.1400000110.6G312G312-T314 PolarHBondContact O-N 3.47Å
315R44.4Very low52Low203 Ų203120.6 Ų120.677%0.76671%0.71SS**  trans-32.3138.9156.7178.6-176.4-173.5174.13.8110.7R313 Q317R313-R315 PolarHBondContact O-N 2.71Å; R313-R315 VanDerWaalsContact O-N 3.12Å; R315-Q317 VanDerWaalsContact C-N 3.32Å; R315-Q317 PolarHBondContact O-N 3.02Å
316P48.2Very low49.9Very low135 Ų135123.5 Ų123.588%0.87773%0.729SS**SBendtrans-65.489-177.626.5-34.9000111.6
317Q45.9Very low47.9Very low136 Ų136124.2 Ų124.264%0.63673%0.734SS**  trans-139.5113.1179.4-95.8-71.52.900108.7R315R315-Q317 VanDerWaalsContact C-N 3.32Å; R315-Q317 PolarHBondContact O-N 3.02Å
318S37.6Very low46.5Very low80 Ų80125.1 Ų125.156%0.55975%0.747SS**SBendtrans50.4102.2142.9-60.20000120
319F42.2Very low45Very low156 Ų156128.5 Ų128.568%0.68476%0.76SS**  trans75.1138.5153.5-48-72.3000120.1S321F319-S321 PolarHBondContact O-N 2.91Å
320P45.3Very low44Very low124 Ų124129.7 Ų129.781%0.80577%0.767SS**  trans-83.485.5159.334.4-30.9000110.3S322P320-S322 PolarHBondContact O-N 3.04Å
321S40.3Very low43.8Very low96 Ų96132.8 Ų132.867%0.67177%0.771SS**  trans-75.9104.8170.6-72.60000110.7F319 T323F319-S321 PolarHBondContact O-N 2.91Å; S321-T323 PolarHBondContact O-N 2.73Å; S321-T323 PolarHBondContact O-OG1 3.16Å
322S43.3Very low43.2Very low122 Ų122136.2 Ų136.285%0.85378%0.777SS**  trans-62.6107.3169.8-175.10000109.8P320P320-S322 PolarHBondContact O-N 3.04Å
323T39.5Very low42.8Very low127 Ų127138.6 Ų138.678%0.77979%0.793SS**  trans-122.364.2-176.7-38.70000109.8S321 A325S321-T323 PolarHBondContact O-N 2.73Å; S321-T323 PolarHBondContact O-OG1 3.16Å; T323-A325 PolarHBondContact O-N 3.27Å
324A40.8Very low42.4Very low89 Ų89132.9 Ų132.974%0.73679%0.788SS**  trans-73.9111175.100000110.3
325A46.4Very low42.2Very low96 Ų96133.5 Ų133.579%0.79380%0.797SS**  trans3113.6169.900000118.8T323T323-A325 PolarHBondContact O-N 3.27Å
326L39.2Very low42.2Very low177 Ų177128.7 Ų128.793%0.92780%0.795SS**  trans-126.4142.6146.8-74.2177.7000109.3
327S35.9Very low41.9Very low112 Ų112133.1 Ų133.178%0.78379%0.794SS**  trans-68.4144.5-173.353.70000113R329S327-R329 PolarHBondContact O-N 2.92Å
328A42.9Very low42.2Very low110 Ų110135.3 Ų135.391%0.90981%0.809SS**  trans-56.8130.6170.800000111.4
329R35.4Very low42.2Very low230 Ų230139.1 Ų139.187%0.86882%0.823SS**  trans-136134.6173.4-163173.3-169.1-133.9-1.9108.4S327S327-R329 PolarHBondContact O-N 2.92Å
330P40.4Very low41.9Very low121 Ų121136 Ų13679%0.78682%0.821SS**  trans-69.8158.2-164.625.9-35.6000114.8
331H47.4Very low42.2Very low190 Ų190136.2 Ų136.288%0.8882%0.822SS**  trans-82111.2-172.8-55.2-102.8000113.1
332T45Very low42.3Very low143 Ų143141.4 Ų141.488%0.87783%0.833SS**  trans-162.480.415548.10000112.1
333A39.1Very low42.4Very low96 Ų96139.2 Ų139.279%0.79383%0.829SS**  trans-177.4146.2156.400000111.5
334P44.1Very low42.6Very low128 Ų128141.4 Ų141.483%0.83184%0.835SS**  trans-84.5147.1174.633.8-34.2000112.6
335S42.8Very low43.1Very low132 Ų132148.3 Ų148.392%0.92384%0.842SS**  trans-81.6117.4175.8177.40000111.6
336S45.4Very low42.8Very low103 Ų103153 Ų15372%0.7285%0.847SS**  trans-154.2160.2170.2-169.20000112
337R41.6Very low42.6Very low227 Ų227148.1 Ų148.186%0.85784%0.84SS**  trans71.789.1177.7-55.3-170.9-179-82-3.4116.5
338L52.3Low43.2Very low183 Ų183148.5 Ų148.596%0.95884%0.843SS**  trans-8.4129.8138.3-55.3169.2000115
339N36.5Very low43Very low160 Ų160155.1 Ų155.186%0.85684%0.844SS**  trans-129.9130.8158.9-165.8-0.8000109.7
340S36.9Very low43.4Very low91 Ų91148 Ų14864%0.63683%0.834SS**  trans-116.4127.6179179.70000108.4K342S340-K342 PolarHBondContact O-N 3.06Å
341P51.8Low43.5Very low128 Ų128152.2 Ų152.283%0.83184%0.841SS**  trans-67.6103.5-174.827.1-33.8000110.9G343P341-G343 PolarHBondContact O-N 3.29Å
342K42.8Very low44.1Very low205 Ų205147.1 Ų147.189%0.89183%0.825SS**PPolyproline II helixtrans-71.2124.3172.6-65.8179.6-179.5178.70109.1S340S340-K342 PolarHBondContact O-N 3.06Å
343G43.5Very low43.8Very low76 Ų76150.6 Ų150.678%0.78483%0.828SS**PPolyproline II helixtrans-71140.8177.300000112.5P341P341-G343 PolarHBondContact O-N 3.29Å
344L45Very low43.9Very low172 Ų172151.8 Ų151.890%0.90183%0.826SS**PPolyproline II helixtrans-94128.3174.6-171.463.8000109.9
345R50.5Low44.7Very low234 Ų234151 Ų15188%0.88382%0.82SS**  trans-130.8100.2-178.5-83.1-82.6-137.6-120.70.7110.2
346H39.7Very low44.3Very low195 Ų195151.5 Ų151.590%0.90382%0.817SS**  trans-158.9140.6161-94.6-88.6000106.7
347G36.3Very low43.7Very low75 Ų75152.5 Ų152.577%0.77382%0.815SS**  cis-153.9173.7-5.800000110.8
348S48.8Very low43.2Very low120 Ų120148.6 Ų148.684%0.83981%0.811SS**  trans-89.6142.5-17053.40000114.9
349R37.6Very low43.1Very low249 Ų249144.6 Ų144.694%0.9480%0.796SS**  trans-149.2145.6136.6-158.4170.9-67.8-116.63.3109.3
350A43.8Very low43.5Very low80 Ų80143 Ų14366%0.66180%0.795SS**  trans-132.6160.7179.800000109.8
351F42.1Very low43.2Very low210 Ų210143.7 Ų143.792%0.92180%0.799SS**  trans-175.4166.4133.5-92.5-45.3000110
352P60.9Low43.1Very low83 Ų83144.1 Ų144.154%0.53980%0.802SS.*  trans-130.5-179.9-137.642.6-26.1000114.7T354P352-T354 HydrophobicContact CB-CG2 4.41Å
353F39Very low42.7Very low216 Ų216138.8 Ų138.895%0.94780%0.796SS**  trans-135.9153.1142.4-84.2-72.3000110.2
354T40.1Very low42.5Very low121 Ų121140.8 Ų140.874%0.74280%0.798SS**  trans-127.2-161.3-165.964.30000110.2P352P352-T354 HydrophobicContact CB-CG2 4.41Å
355P61.1Low42.3Very low111 Ų111137.8 Ų137.872%0.72180%0.798SS**  -130157.9-120.134.4-12.4000117.4
356V34.1Very low42Very low142 Ų142135.4 Ų135.486%0.86180%0.797SS**  trans-142.899.5158.7-173.20000106.5
357N33.3Very low41.9Very low125 Ų125134.8 Ų134.867%0.66879%0.794SS**  78.69270.7-172.630.6000115
358N31.4Very low41.9Very low144 Ų144140.1 Ų140.177%0.7780%0.799SS**  -169.8159121.9-104.4-58.1000111.2
359P50.8Low41.6Very low100 Ų100142.2 Ų142.265%0.64980%0.8SS**PPolyproline II helixtrans-99.2155.8-170.337.5-34.6000114.6
360P43.3Very low42.1Very low127 Ų127135.6 Ų135.683%0.82579%0.792SS**PPolyproline II helixtrans-96.7120.4160.933.7-27.3000112
361S31.9Very low42.4Very low105 Ų105143 Ų14373%0.73480%0.803SS**PPolyproline II helixtrans-70.7161.8169.2-76.40000112.4A363S361-A363 PolarHBondContact O-N 3.1Å; S361-A363 VanDerWaalsContact O-N 3.14Å
362P48.5Very low42.8Very low137 Ų137141.1 Ų141.189%0.8979%0.794SS**SBendtrans-83.696.9-15831.8-36.1000114.4
363A35.9Very low42.7Very low92 Ų92142.9 Ų142.976%0.7681%0.806SS**  trans-148.848177.500000115.1S361S361-A363 PolarHBondContact O-N 3.1Å; S361-A363 VanDerWaalsContact O-N 3.14Å
364S37.3Very low44Very low118 Ų118135.9 Ų135.983%0.82578%0.781SS**  trans-154.734.8175.7-81.90000115.4Q366S364-Q366 PolarHBondContact O-N 3.41Å
365A42.8Very low45.5Very low109 Ų109132.5 Ų132.590%0.90176%0.761SS**  trans-96.138.5-174.500000115
366Q42.7Very low45.6Very low185 Ų185132 Ų13286%0.86476%0.758SS**SBendtrans-150.19.8-175.5-134.6178.3-2.400120.3S364S364-Q366 PolarHBondContact O-N 3.41Å
367Q37.9Very low46.9Very low182 Ų182130.4 Ų130.485%0.8574%0.741SS**  trans-12915.7179-68.7-163.4-6.400116.6L369Q367-L369 PolarHBondContact O-N 3.42Å
368Q37.4Very low48.6Very low187 Ų187124.5 Ų124.587%0.87471%0.709SS**  trans-94.848.6-179.2-71.7-70.9-14.700113.6
369L42.5Very low50.3Low164 Ų164122.6 Ų122.686%0.85970%0.696SS**SBendtrans-133-1.8-171.3-93.8170.3000117.5Q367Q367-L369 PolarHBondContact O-N 3.42Å
370S47.3Very low51.3Low109 Ų109125.7 Ų125.776%0.76270%0.703SS**SBendtrans-126.519.6-16958.70000116.2
371R49.6Very low52.3Low236 Ų236126.3 Ų126.389%0.89169%0.689SS**  trans-134.769176.7-70.2-169.5179.61742.3114.3
372F51.3Low53.8Low171 Ų171128.5 Ų128.575%0.7568%0.682SS**SBendtrans-118.1143155.2-74.6-78.4000109.5V374F372-V374 PolarHBondContact O-N 3.02Å; F372-V374 VanDerWaalsContact O-N 3.17Å
373P58.8Low54.5Low120 Ų120127 Ų12778%0.77967%0.673SS**PPolyproline II helixtrans-66.1116.2179.726.8-33.3000110.1C375P373-C375 PolarHBondContact O-N 3.01Å
374V66.1Low55.8Low69 Ų69130.4 Ų130.442%0.41868%0.677SS.*PPolyproline II helixtrans-60.4124.8-179.4-1790000109.6F372 P376 H379F372-V374 PolarHBondContact O-N 3.02Å; F372-V374 VanDerWaalsContact O-N 3.17Å; V374-P376 WeakPolarHBondContact O-CD 3.08Å; V374-H379 HydrophobicContact CG1-CB 3.91Å
375C71.3Confident57.1Low49 Ų49126.5 Ų126.533%0.33165%0.65SS.*PPolyproline II helixtrans-63120.5177.1179.30000110.2P373 H377 C378 H379 C389P373-C375 PolarHBondContact O-N 3.01Å; C375-H377 PolarHBondContact O-N 3.22Å; C375-C378 HydrophobicContact CB-CB 4.32Å; C375-C378 VanDerWaalsContact CB-SG 3.59Å; C375-C378 PolarHBondContact O-N 2.78Å; C375-C378 VanDerWaalsContact SG-SG 3.66Å; C375-H379 PolarHBondContact O-N 3.17Å; C375-C389 HydrophobicContact CB-CB 4.19Å
376P63.3Low58Low100 Ų100128.5 Ų128.565%0.64965%0.645SS**Hα-helixtrans-63-31-172.723.5-33.7000112.5V374 C378 M380V374-P376 WeakPolarHBondContact O-CD 3.08Å; P376-C378 VanDerWaalsContact C-N 3.3Å; P376-C378 PolarHBondContact O-N 3.2Å; P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.22Å; P376-M380 PolarHBondContact O-N 3.49Å; P376-M380 VanDerWaalsContact O-N 3.1Å
377H61.6Low58.9Low109 Ų109120.2 Ų120.251%0.50561%0.61SS.*Hα-helixtrans-68.7-27.3177.4-162.386.7000113.5C375 R381C375-H377 PolarHBondContact O-N 3.22Å; H377-R381 PolarHBondContact CE1-NH2 3.11Å; H377-R381 PolarHBondContact NE2-NE 3.26Å; H377-R381 PolarHBondContact NE2-NH2 3.47Å
378C67.9Low60.1Low1 Ų1116.7 Ų116.71%0.00761%0.605CS.*Hα-helixtrans-81.1-45.8178.1-47.70000110.5C375 P376 M380 R381 Y382 C389 Y394C375-C378 HydrophobicContact CB-CB 4.32Å; C375-C378 VanDerWaalsContact CB-SG 3.59Å; C375-C378 PolarHBondContact O-N 2.78Å; C375-C378 VanDerWaalsContact SG-SG 3.66Å; P376-C378 VanDerWaalsContact C-N 3.3Å; P376-C378 PolarHBondContact O-N 3.2Å; C378-M380 VanDerWaalsContact C-N 3.34Å; C378-M380 PolarHBondContact O-N 3.39Å; C378-R381 PolarHBondContact O-N 2.93Å; C378-R381 VanDerWaalsContact O-N 3.16Å; C378-Y382 PolarHBondContact O-N 2.04Å; C378-C389 HydrophobicContact CB-CB 3.82Å; C378-C389 WeakPolarHBondContact CB-SG 3.05Å; C378-C389 WeakPolarHBondContact SG-CB 3.29Å; C378-C389 CovalentContact SG-SG 2.04Å; C378-C389 PolarHBondContact SG-SG 3.29Å; C378-Y394 PolarHBondContact SG-OH 2.92Å
379H68.9Low61.4Low105 Ų105109.3 Ų109.349%0.48657%0.574SS.*Hα-helixtrans-61.3-38.8178.2-169-89.8000112.9V374 C375 R381V374-H379 HydrophobicContact CG1-CB 3.91Å; C375-H379 PolarHBondContact O-N 3.17Å; H379-R381 PolarHBondContact O-N 3.2Å
380M70.2Confident62.2Low165 Ų165104.9 Ų104.981%0.81356%0.556SS**THydrogen-bonded Turntrans-63.2-22.5176.6-74.7-83.4-72.900114.3P376 C378P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.22Å; P376-M380 PolarHBondContact O-N 3.49Å; P376-M380 VanDerWaalsContact O-N 3.1Å; C378-M380 VanDerWaalsContact C-N 3.34Å; C378-M380 PolarHBondContact O-N 3.39Å
381R64.3Low62.5Low139 Ų139104 Ų10453%0.52556%0.556SS.*THydrogen-bonded Turntrans-106.2-31-179.5-63.9-174.6-171-115.85.2113.4H377 C378 H379H377-R381 PolarHBondContact CE1-NH2 3.11Å; H377-R381 PolarHBondContact NE2-NE 3.26Å; H377-R381 PolarHBondContact NE2-NH2 3.47Å; C378-R381 PolarHBondContact O-N 2.93Å; C378-R381 VanDerWaalsContact O-N 3.16Å; H379-R381 PolarHBondContact O-N 3.2Å
382Y63.7Low62.6Low151 Ų151100.8 Ų100.859%0.59255%0.545SS*.  trans-139.495.4-175.4-61.6-72.8000109.8C378 L384 C385C378-Y382 PolarHBondContact O-N 2.04Å; Y382-L384 PolarHBondContact O-N 3.01Å; Y382-C385 VanDerWaalsContact O-CB 3.22Å; Y382-C385 WeakPolarHBondContact O-CB 3.45Å; Y382-C385 PolarHBondContact O-N 3.32Å
383P64.3Low62.7Low106 Ų10694.3 Ų94.369%0.68852%0.523SS*.THydrogen-bonded Turntrans-59.6-19.6-178.8-2736.1000114.8C385P383-C385 VanDerWaalsContact C-N 3.35Å
384L63.5Low62.4Low163 Ų16392.3 Ų92.385%0.85350%0.501SS*.THydrogen-bonded Turntrans-90.38178.1-55177.7000113.4Y382 N386Y382-L384 PolarHBondContact O-N 3.01Å; L384-N386 PolarHBondContact O-N 3.03Å
385C63.6Low61.8Low36 Ų3695.6 Ų95.624%0.24351%0.512CS..  trans-82.7103.6-179.4-171.90000111.3Y382 P383 G387Y382-C385 VanDerWaalsContact O-CB 3.22Å; Y382-C385 WeakPolarHBondContact O-CB 3.45Å; Y382-C385 PolarHBondContact O-N 3.32Å; P383-C385 VanDerWaalsContact C-N 3.35Å; C385-G387 PolarHBondContact O-N 3.28Å
386N61.5Low60.6Low151 Ų151102.5 Ų102.581%0.80753%0.531SS*.  trans-69.439.7-177.7-69.4-21.9000115.5L384 S388L384-N386 PolarHBondContact O-N 3.03Å; N386-S388 PolarHBondContact O-N 2.8Å
387G61.1Low59.8Low12 Ų12103.5 Ų103.512%0.12453%0.526CS..SBendtrans73.4-21.1167.600000117.7C385 C389C385-G387 PolarHBondContact O-N 3.28Å; G387-C389 PolarHBondContact O-N 3.25Å
388S63.5Low59.2Low107 Ų107103.1 Ų103.175%0.74854%0.536SS*.  trans-70.831.4179.954.60000114.7N386 S390N386-S388 PolarHBondContact O-N 2.8Å; S388-S390 PolarHBondContact O-N 2.89Å
389C64.9Low58.2Low32 Ų32113.5 Ų113.522%0.21658%0.575CS.*  trans-77.874.7-169.5-161.10000112.1C375 C378 G387 Y394C375-C389 HydrophobicContact CB-CB 4.19Å; C378-C389 HydrophobicContact CB-CB 3.82Å; C378-C389 WeakPolarHBondContact CB-SG 3.05Å; C378-C389 WeakPolarHBondContact SG-CB 3.29Å; C378-C389 CovalentContact SG-SG 2.04Å; C378-C389 PolarHBondContact SG-SG 3.29Å; G387-C389 PolarHBondContact O-N 3.25Å; C389-Y394 WeakPolarHBondContact SG-CE2 3.1Å; C389-Y394 PolarHBondContact SG-OH 3.38Å
390S60.4Low56.9Low71 Ų71116 Ų11650%0.49759%0.591SS.*  trans-67.3136175.8770000111.3S388 Y392 A393S388-S390 PolarHBondContact O-N 2.89Å; S390-Y392 PolarHBondContact O-N 3.33Å; S390-A393 WeakPolarHBondContact O-CB 3.49Å; S390-A393 PolarHBondContact O-N 3.08Å; S390-A393 VanDerWaalsContact O-N 3.08Å
391A53.2Low55.3Low92 Ų92113.3 Ų113.376%0.7659%0.588SS**THydrogen-bonded Turntrans-59.2-23-175.200000113.9
392Y50.9Low54.5Low168 Ų168112.8 Ų112.866%0.65960%0.603SS**THydrogen-bonded Turntrans-75.2-24.2-179.8-158.6-113.3000113.6S390 Y394 Q395S390-Y392 PolarHBondContact O-N 3.33Å; Y392-Y394 PolarHBondContact O-N 3.03Å; Y392-Q395 PolarHBondContact O-N 3.44Å
393A54Low53.2Low35 Ų35113.9 Ų113.929%0.28962%0.619SS.*THydrogen-bonded Turntrans-63.8-40.6-179.800000112.2S390 Q395 R396 H397S390-A393 WeakPolarHBondContact O-CB 3.49Å; S390-A393 PolarHBondContact O-N 3.08Å; S390-A393 VanDerWaalsContact O-N 3.08Å; A393-Q395 PolarHBondContact O-N 3.14Å; A393-Q395 VanDerWaalsContact O-N 3.12Å; A393-R396 PolarHBondContact O-N 3.13Å; A393-H397 PolarHBondContact O-CD2 3.44Å; A393-H397 PolarHBondContact O-N 3.46Å
394Y52.8Low52.4Low78 Ų78117.2 Ų117.231%0.30663%0.629SS.*Hα-helixtrans-57.1-30.6-178.2-80.3-67.6000114.5C378 C389 Y392 R396 H397 S398C378-Y394 PolarHBondContact SG-OH 2.92Å; C389-Y394 WeakPolarHBondContact SG-CE2 3.1Å; C389-Y394 PolarHBondContact SG-OH 3.38Å; Y392-Y394 PolarHBondContact O-N 3.03Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.21Å; Y394-H397 PolarHBondContact O-N 3.36Å; Y394-S398 PolarHBondContact O-N 3Å; Y394-S398 PolarHBondContact O-OG 3.08Å; Y394-S398 VanDerWaalsContact O-OG 3.08Å
395Q52Low51.3Low138 Ų138117.3 Ų117.365%0.64563%0.626SS**Hα-helixtrans-72.2-22.1179.8-163.7173.2800112.9Y392 A393Y392-Q395 PolarHBondContact O-N 3.44Å; A393-Q395 PolarHBondContact O-N 3.14Å; A393-Q395 VanDerWaalsContact O-N 3.12Å
396R46.3Very low50Low193 Ų193126.1 Ų126.173%0.72865%0.654SS**Hα-helixtrans-83.2-39.3173-69.5-70.5-170.7157.32.9112.2A393 Y394A393-R396 PolarHBondContact O-N 3.13Å; Y394-R396 VanDerWaalsContact C-N 3.29Å; Y394-R396 PolarHBondContact O-N 3.21Å
397H47.3Very low48.9Very low122 Ų122130.7 Ų130.757%0.56566%0.66SS**Hα-helixtrans-77.6-27.4-174.3-54.6-48.6000113.5A393 Y394 R399A393-H397 PolarHBondContact O-CD2 3.44Å; A393-H397 PolarHBondContact O-N 3.46Å; Y394-H397 PolarHBondContact O-N 3.36Å; H397-R399 PolarHBondContact O-N 3.12Å; H397-R399 VanDerWaalsContact O-N 3.13Å
398S49.9Very low47.6Very low101 Ų101134.6 Ų134.671%0.70669%0.691SS**THydrogen-bonded Turntrans-78.115.5174.8-510000114.2Y394Y394-S398 PolarHBondContact O-N 3Å; Y394-S398 PolarHBondContact O-OG 3.08Å; Y394-S398 VanDerWaalsContact O-OG 3.08Å
399R46Very low46.3Very low219 Ų219140.8 Ų140.883%0.82670%0.698SS**THydrogen-bonded Turntrans-130.230.4177.2-78.1-164.3168.8-139.8-2113.5H397 S401H397-R399 PolarHBondContact O-N 3.12Å; H397-R399 VanDerWaalsContact O-N 3.13Å; R399-S401 PolarHBondContact O-N 3.46Å; R399-S401 VanDerWaalsContact O-N 3.17Å
400L40.8Very low45.1Very low156 Ų156145.2 Ų145.282%0.81773%0.726SS**  trans-79.188.8165.9-66.9177.3000110
401S36.6Very low44Very low109 Ų109145.7 Ų145.776%0.76274%0.742SS**  trans-96.8144.4159.7-62.40000109.3R399 L403R399-S401 PolarHBondContact O-N 3.46Å; R399-S401 VanDerWaalsContact O-N 3.17Å; S401-L403 PolarHBondContact O-N 3.46Å
402P48.6Very low43.1Very low128 Ų128146.5 Ų146.583%0.83175%0.749SS**  trans-82.2117.8-169.831.3-34000112.3
403L36.2Very low42.3Very low175 Ų175142.9 Ų142.992%0.91675%0.754SS**  trans-131.8133.5154.2-88.8173.1000109S401S401-L403 PolarHBondContact O-N 3.46Å
404L47.1Very low41.8Very low175 Ų175146.3 Ų146.392%0.91678%0.782SS**  trans-76.3118.8175.4-68.4165.8000108.9
405E40.2Very low41.5Very low166 Ų166151.4 Ų151.478%0.77681%0.806SS**  trans-147.4123.7156.6-129.2175160.500116.6
406R37.6Very low40.9Very low221 Ų221156.4 Ų156.483%0.83482%0.819SS**  trans39.793.7150.8-68.3171-172.7-105.4-3.2118.6
407R37.8Very low40.3Very low246 Ų246151.9 Ų151.993%0.92882%0.817SS**  trans-37.3130.8147.4-175-174.9-157.2170.37.3112.8
408A33.3Very low39.8Very low94 Ų94150.8 Ų150.878%0.77782%0.823SS**  trans-126.5145.516100000109.7
409R36.8Very low39.2Very low238 Ų238150.7 Ų150.790%0.89882%0.822SS**  trans-86.6148.1176.9-112.3-169.9172.9-1303110.5
410P40.1Very low38.7Very low124 Ų124148.3 Ų148.381%0.80582%0.82SS**  trans-77.5138.2171.831.8-33000111.2
411G36.8Very low38.6Very low82 Ų82146.4 Ų146.485%0.84582%0.815SS**  trans148.872.3170.200000116.5
412A33.4Very low38.7Very low108 Ų108152.4 Ų152.489%0.89382%0.821SS**  trans-160.3151.115900000110.1
413A34.8Very low38.2Very low92 Ų92150.6 Ų150.676%0.7682%0.817SS**  trans-91.4138.2-176.300000112.9
414A43.7Very low38Very low107 Ų107147.4 Ų147.488%0.88482%0.816SS**  trans-76.7122172.500000111.2
415K46.1Very low37.2Very low185 Ų185145.2 Ų145.280%0.80482%0.815SS**  trans-139.8112.9172-82.6-171.7175.8179.60111.6
416R39Very low37.1Very low244 Ų244142.2 Ų142.292%0.92181%0.813SS**  trans64.7171.5160.4-56.2176.5152.6-168.3-10.2114
417S34.9Very low37.2Very low98 Ų98140.7 Ų140.769%0.68582%0.815SS**  cis-146.3174-1.7-143.40000112.6
418S35.8Very low37Very low99 Ų99132.3 Ų132.369%0.69281%0.805SS**  trans-26.2165.5150.8-2.60000117.4
419S37Very low37Very low98 Ų98139.4 Ų139.469%0.68581%0.812SS**  cis-177.2178.9-12.541.70000110.3
420E36.8Very low37Very low170 Ų170133.2 Ų133.279%0.79481%0.805SS**  trans84.6102142.6-140.2160.7151.300123.1
421T38.9Very low37.6Very low115 Ų115133.5 Ų133.571%0.70681%0.807SS**  47.6127.3117.3-33.70000124.8
422R38.3Very low37.3Very low235 Ų235133.3 Ų133.389%0.88781%0.805SS**  trans78.7115.4145.5-89.7173.1-177.8173.6-0.4123.7
423A36.8Very low37.3Very low91 Ų91132.2 Ų132.275%0.75280%0.796SS**  73.4125.911800000123.3
424A33.8Very low37.3Very low108 Ų108137 Ų13789%0.89380%0.803SS**  trans61.2135.5146.400000120.9
425S29.6Very low36.7Very low128 Ų128136 Ų13690%0.89580%0.802SS**  trans-136.9155.4163.6-172.30000108.7
426S38Very low36Very low104 Ų104131.1 Ų131.173%0.72781%0.805SS**  trans-137.9148.2-158.657.20000114.3
427E39.7Very low35.7Very low189 Ų189123.3 Ų123.388%0.88380%0.8SS**  trans48.8131.4145.2-144.657-128.800121.7
428G33.1Very low35.6Very low70 Ų70124.1 Ų124.172%0.72281%0.813SS**  trans-126.943.2-16600000117.8
429R34.8Very low35.4Very low242 Ų242123.4 Ų123.491%0.91382%0.821SS**  trans75.2135.4159.6-149.8176.8-165.3-1763.8119.4
430S36.1Very low35.4Very low108 Ų108123.5 Ų123.576%0.75583%0.828SS**  trans-96.2-161.3178-26.20000111
431P53.3Low35.2Very low130 Ų130127.1 Ų127.184%0.84483%0.834SS**  cis-144.7173.617.243.9-23.9000119.5
432G30.2Very low35.1Very low78 Ų78127.8 Ų127.880%0.80484%0.838SS**  trans114.3147151.600000116.6
433A33.3Very low35.7Very low86 Ų86121.7 Ų121.771%0.71183%0.829SS**  cis-163.7158-16.800000110.7
434Q35.3Very low35.5Very low193 Ų193123.4 Ų123.490%0.90283%0.83SS**  trans63.2119162.5-63.6175.187.900120.7
435G29.6Very low35.7Very low85 Ų85123.5 Ų123.588%0.87682%0.824SS**  88152.8126.800000118.8
436G31.6Very low36.7Very low83 Ų83122.7 Ų122.786%0.85682%0.816SS**  cis154.5119.7-10.300000112.6
437G32Very low36.4Very low80 Ų80123.4 Ų123.483%0.82582%0.821SS**  trans106.1118.2164.800000118.2
438A33.4Very low36.2Very low115 Ų115119.7 Ų119.795%0.9582%0.823SS**  trans-6147.7157.100000122.7
439G31.5Very low36.3Very low84 Ų84120.1 Ų120.187%0.86683%0.827SS**  trans178.6108.1159.400000111.9
440A37.1Very low36.6Very low100 Ų100120.3 Ų120.383%0.82683%0.828SS**  trans-109.8148.9-170.400000113.8
441R33.3Very low36.8Very low246 Ų246121 Ų12193%0.92883%0.833SS**  trans-162.4135.6147.8-114.8164.6179.5-128.6-5.3114
442T37.2Very low36.2Very low129 Ų129123.1 Ų123.179%0.79183%0.831SS**  trans-116.3-166.2166.160.30000106.7
443P51Low36.9Very low106 Ų106126.4 Ų126.469%0.68883%0.829SS**  cis-139.7-165.8-2.726.80.4000115.1
444V31.8Very low37.5Very low127 Ų127132.3 Ų132.377%0.7784%0.839SS**  trans88.3134.1155-164.40000119.6
445S37.8Very low37.9Very low110 Ų110130.3 Ų130.377%0.76983%0.829SS**  trans-131.6156.5157.2-44.40000106.2
446P50Low38.5Very low112 Ų112135.2 Ų135.273%0.72783%0.831SS**  -159.8179.370.642.9-21.8000118.5
447S33Very low39.3Very low118 Ų118139 Ų13983%0.82583%0.827SS**  trans75.4137.7143.7-74.50000124.8
448A35.6Very low39.8Very low112 Ų112140.3 Ų140.393%0.92683%0.83SS**  trans75.2110.714800000121.3
449G35.3Very low40Very low79 Ų79139.8 Ų139.881%0.81483%0.826SS**  trans-167.1150.3163.900000110.2
450R41.4Very low40.2Very low245 Ų245139.4 Ų139.493%0.92582%0.822SS**  trans-121.2158.8-170.2-90.6-173.4167.8-151.6-0.2114.3
451S38.9Very low40.2Very low123 Ų123142.9 Ų142.986%0.8683%0.827SS**  trans73.5154.8175.784.30000114.4
452H41.9Very low40.4Very low174 Ų174135.7 Ų135.781%0.80682%0.82SS**  cis-129.4158.917.9178.7-86.3000113.8
453L43Very low40.9Very low148 Ų148140.9 Ų140.978%0.77583%0.825SS**  trans-81.3136.7-174.6-118.969.7000113.9
454K47.5Very low40.3Very low209 Ų209145.7 Ų145.791%0.90984%0.835SS**  trans-167.1113.3136.2-118175.4-178.2176.20112.2
455H42.9Very low40.4Very low152 Ų152147.8 Ų147.870%0.70484%0.836SS**  trans-147.4123.9167.8-177.891000107.8Q457H455-Q457 PolarHBondContact CD2-NE2 3.08Å; H455-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H455-Q457 PolarHBondContact NE2-NE2 3.43Å
456M43.3Very low40.8Very low187 Ų187147.3 Ų147.392%0.92183%0.831SS**  trans-87.1124.6177-79.9-176.264.200110.2
457Q47.7Very low39.9Very low162 Ų162148.8 Ų148.876%0.75783%0.828SS**  trans-118.9132.4164.5-81.3167.314.200109.3H455H455-Q457 PolarHBondContact CD2-NE2 3.08Å; H455-Q457 VanDerWaalsContact CD2-NE2 3.26Å; H455-Q457 PolarHBondContact NE2-NE2 3.43Å
458A41.9Very low39.9Very low108 Ų108150.8 Ų150.889%0.89382%0.824SS**PPolyproline II helixtrans-82.3126.6176.100000109.6
459A38.7Very low39.8Very low104 Ų104150.5 Ų150.586%0.8682%0.822SS**PPolyproline II helixtrans-81.9149.8-179.200000112.3
460G35.8Very low39.6Very low77 Ų77150.3 Ų150.379%0.79482%0.82SS**PPolyproline II helixtrans-70.5155.2-171.700000115.3
461N35.8Very low39.4Very low172 Ų172144.7 Ų144.792%0.9281%0.813SS**  trans-87.5110.7173.5-171.10.6000109.6
462A38.3Very low39.1Very low95 Ų95146.1 Ų146.179%0.78581%0.811SS**  trans-112.7147.9-176.800000111.8
463R46.5Very low39Very low239 Ų239145.8 Ų145.890%0.90281%0.81SS**  trans-128.2113.6-168.4179.1-167.6-170-158.15.3111.2
464K38.5Very low38.5Very low207 Ų207148.2 Ų148.290%0.981%0.814SS**  trans-175.8159.2141.7-85.5-128.2-178174.40111.9
465Q35.5Very low38Very low170 Ų170142.1 Ų142.179%0.79481%0.811SS**  trans-99.1171.9164.4-91.9-117.26.200108.5
466P46.3Very low37.7Very low101 Ų101147.4 Ų147.466%0.65683%0.825SS**  cis-141.1-169.122.636-12.6000117
467Q30.7Very low37.2Very low143 Ų143142 Ų14267%0.66882%0.817SS**  trans113.5119.1132-158.7158.3-19.200120.5
468E32.2Very low36.7Very low159 Ų159143.3 Ų143.374%0.74382%0.823SS**  trans63.8126.8147.7-75.8158.9-178.500126.2
469A32.9Very low36.4Very low107 Ų107143.9 Ų143.988%0.88482%0.815SS**  trans54.5128.3131.400000122.4
470G32.3Very low36.3Very low75 Ų75149.4 Ų149.477%0.77381%0.814SS**  trans170.281.8169.900000115.8
471T36Very low36.5Very low127 Ų127155.5 Ų155.578%0.77982%0.818SS**  trans-12.1132.8165.751.30000121.3
472N32.7Very low36.3Very low153 Ų153153.4 Ų153.482%0.81882%0.818SS**  trans33.2132.5133.7-62.8-46000120.1
473Q39.9Very low36.2Very low166 Ų166159.9 Ų159.978%0.77682%0.822SS**  -163158.758.4-79.1-168.85600115.6
474K33.3Very low35.5Very low199 Ų199154.1 Ų154.187%0.86581%0.813SS**  trans25.6120.8151.4-69.6177.2177169.70121.7
475G36Very low35.6Very low82 Ų82156 Ų15685%0.84581%0.814SS**  trans-152.3150.8151.100000110.7
476R37.6Very low35.5Very low262 Ų262151.9 Ų151.999%0.98981%0.81SS**  trans-111.2153.5-174.9-75.1-178.1173.7-115.76.1113.1
477G33.4Very low34.8Very low73 Ų73154 Ų15475%0.75382%0.816SS**  trans125.576.2169.400000113.1
478Q37.1Very low35Very low190 Ų190151.4 Ų151.489%0.88881%0.813SS**  65.5110.179.1-157.4-166.952.400114.6
479V35.1Very low35.2Very low120 Ų120152.3 Ų152.373%0.72782%0.817SS**  trans159.4119.1133.51600000113
480R37.4Very low35.4Very low221 Ų221152.8 Ų152.883%0.83481%0.809SS**  trans51.1108153.4-67.6174.6178178.3-1.2122.5
481K38.7Very low35.3Very low204 Ų204155.7 Ų155.789%0.88781%0.807SS**  61.1100.8129.3-62.7-174.4175.6-174.70119.4
482S32Very low35.4Very low129 Ų129156.8 Ų156.890%0.90281%0.813SS**  trans-143.4150.4139.7-164.60000113
483R36.6Very low35.6Very low230 Ų230158.3 Ų158.387%0.86881%0.813SS**  trans-70.9153.3-167.7-167.4-168-159.6-179.95.8113.9
484V32Very low35.3Very low119 Ų119160.5 Ų160.572%0.72182%0.819SS**  trans137.9126.9134.9170.70000116.4
485R39.9Very low35.3Very low245 Ų245158.8 Ų158.893%0.92582%0.815SS**  trans65.8129.7156.8-86.3176169.9170.7-3.9123.7
486A33.3Very low36.2Very low85 Ų85160 Ų16070%0.70281%0.807SS**  trans-166.4158.2147.400000105.3
487N31.6Very low35.9Very low146 Ų146153 Ų15378%0.78180%0.798SS**  cis-159136-10.8-105.69.1000106.3
488S35.7Very low35.7Very low87 Ų87152.8 Ų152.861%0.60880%0.797SS**  61.8121.888.878.90000116.5
489E34.8Very low35.7Very low179 Ų179150.4 Ų150.484%0.83680%0.795SS**  trans-174.8133.6131.7-105.2169.587.100114.2
490T37.6Very low35.8Very low116 Ų116154.4 Ų154.471%0.71280%0.802SS**  trans22.9127.8138.651.20000120.7
491D30.9Very low35.5Very low136 Ų136147.5 Ų147.573%0.72780%0.8SS**  71.4105.360.8-160.9-59.3000114.5
492V38.1Very low35.2Very low151 Ų151142.8 Ų142.892%0.91580%0.799SS**  trans-140.8141.5154.31800000108
493K35.9Very low35.1Very low185 Ų185141 Ų14180%0.80479%0.792SS**  trans-129.9124.1-160.9168-170.9177.7-178.50112
494K34.7Very low35.1Very low211 Ų211134.7 Ų134.792%0.91779%0.789SS**  trans-155.6123157.1-141.8169-176.81780115.3
495E33.3Very low35.1Very low164 Ų164136.7 Ų136.777%0.76679%0.791SS**  trans-108.7-174.7169.3-87.3-77.7136.900108
496P55Low35.1Very low106 Ų106133.2 Ų133.269%0.68878%0.782SS**  cis-133177.3-3.229.4-7.6000116.2
497S30.3Very low34.9Very low115 Ų115140.8 Ų140.880%0.80479%0.793SS**  trans128.6126135.6-54.30000115.2
498G30.3Very low34.7Very low70 Ų70136.9 Ų136.972%0.72279%0.787SS**  cis178.8153.2-8.400000116.6
499V37.3Very low34.7Very low139 Ų139141.6 Ų141.684%0.84280%0.799SS**  trans52.694149.3-152.20000120.5
500K37.4Very low35Very low204 Ų204139.1 Ų139.189%0.88780%0.799SS**  -178.5138.7111.1-99179.3-178.2176.50111.8
501G30.8Very low34.6Very low76 Ų76137 Ų13778%0.78480%0.8SS**  trans-90.4179.316700000111.8
502A31.6Very low34.6Very low105 Ų105136.5 Ų136.587%0.86881%0.807SS**  cis-157-167.40.800000107.8
503A30.7Very low34.4Very low92 Ų92139 Ų13976%0.7681%0.806SS**  cis-160.2-160.510.600000110.7
504A35.2Very low34.3Very low97 Ų97141.2 Ų141.280%0.80281%0.809SS**  trans61.280.3153.400000119.4
505E32.8Very low34.1Very low162 Ų162139.7 Ų139.776%0.75781%0.805SS**  trans-6.6122.8131-135.4-155.4151.200114.9
506K39Very low34.1Very low171 Ų171139.3 Ų139.374%0.74381%0.808SS**  -172.5147.172.4-88.8175.2-177.7172.40112.2
507R30.4Very low33.1Very low244 Ų244142 Ų14292%0.92182%0.815SS**  trans-88.4118.7175.5-179.5-177.4-71.3-172.4-2.6110.8
508G27.3Very low33.2Very low65 Ų65141.3 Ų141.367%0.6782%0.815SS**  trans-115.7138.4173.800000112.7
509H34.7Very low33.3Very low186 Ų186143.7 Ų143.786%0.86182%0.821SS**PPolyproline II helixtrans-85.5126.7169.4-72.8-55.4000110.7
510P41.7Very low33.2Very low127 Ų127147 Ų14783%0.82582%0.824SS**PPolyproline II helixtrans-80.412916431.7-30.9000110.4
511G29.3Very low32.9Very low71 Ų71148.2 Ų148.273%0.73282%0.823SS**PPolyproline II helixtrans-84164.3175.400000113.7K513G511-K513 PolarHBondContact O-N 3.17Å
512S31.8Very low32.9Very low126 Ų126151.4 Ų151.488%0.88182%0.822SS**PPolyproline II helixtrans-53.9128177.6176.10000113.2
513K33.4Very low32.8Very low204 Ų204154.8 Ų154.889%0.88782%0.82SS**PPolyproline II helixtrans-100.5141.2161.3-93.8-173.4175.1-179.10110.5G511G511-K513 PolarHBondContact O-N 3.17Å
514R33.6Very low32.9Very low230 Ų230160.8 Ų160.887%0.86882%0.823SS**  trans-109.4117.2-179.6175.4-173.3-173.2173.83.6108.2
515E29.4Very low32.6Very low179 Ų179161.8 Ų161.884%0.83682%0.815SS**  trans-87.6148.2173.2-68.6-163124.500112.1
516L35.1Very low32.6Very low157 Ų157159.8 Ų159.882%0.82282%0.818SS**  trans-97.9132.1162.8-88.270000107.8
517I33.2Very low32.2Very low163 Ų163159.4 Ų159.484%0.83682%0.818SS**  trans-128.2128.5149.4-62.7-176.2000107.4
518A31.9Very low32.3Very low99 Ų99155.9 Ų155.982%0.81881%0.81SS**  trans-85.1149.817600000110.7
519S31.8Very low32.3Very low120 Ų120157.3 Ų157.384%0.83982%0.815SS**  trans-129.5123.3167.3-162.40000109.5
520K35.7Very low32.1Very low210 Ų210155.9 Ų155.991%0.91381%0.809SS**  trans-77.6139.7171.8-68.6-178.5177-178.20108.4
521R32.6Very low31.5Very low229 Ų229154.9 Ų154.986%0.86481%0.811SS**  trans-115.7125162-156.2173.6-162158.16108.9
522D30.3Very low31.3Very low143 Ų143154.8 Ų154.877%0.76581%0.81SS**  trans-78.8131.5170.2-148.5-95.8000107.6
523E28.6Very low31.2Very low175 Ų175154 Ų15482%0.81881%0.805SS**  trans-133.6111.2178.8-169162.696.800109
524R32.8Very low31.2Very low218 Ų218153.3 Ų153.382%0.82381%0.805SS**  trans-106.688.7-178.9-79.3-91.2-87.6-104.6-1.2108.9
525D29Very low31Very low119 Ų119146.4 Ų146.464%0.63680%0.797SS**  trans-71152.1168-169.314.8000110.8Q527D525-Q527 WeakPolarHBondContact OD2-CG 3.47Å; D525-Q527 PolarHBondContact OD2-NE2 2.96Å
526C32.3Very low31.3Very low120 Ų120144 Ų14481%0.81180%0.8SS**  trans-116.590.6-176-69.50000110.4
527Q30.9Very low31.5Very low162 Ų162145.6 Ų145.676%0.75780%0.8SS**  trans-107.1106-178.4-62.7-163.913.200113.6D525D525-Q527 WeakPolarHBondContact OD2-CG 3.47Å; D525-Q527 PolarHBondContact OD2-NE2 2.96Å
528K33Very low31.5Very low171 Ų171144.4 Ų144.474%0.74380%0.801SS**  trans20.8117134.4-169.2-163.2-174-131.10118.7E530K528-E530 IonicContact NZ-OE2 3.16Å; K528-E530 PolarHBondContact NZ-OE2 3.47Å
529A27.7Very low31.4Very low95 Ų95144.2 Ų144.279%0.78580%0.799SS**  trans-135.4119.6134.800000105.3
530E29.3Very low31.6Very low156 Ų156144.8 Ų144.873%0.72980%0.797SS**  71.113058.2-158.9152.7156.200112.8K528K528-E530 IonicContact NZ-OE2 3.16Å; K528-E530 PolarHBondContact NZ-OE2 3.47Å
531A29.4Very low31.6Very low105 Ų105143 Ų14387%0.86879%0.79SS**  trans-94.5154.4-158.800000113.2
532G26.5Very low31.6Very low69 Ų69142.6 Ų142.671%0.71179%0.788SS**  trans-133.6140.1173.800000112.7
533S29.6Very low31.6Very low111 Ų111140.4 Ų140.478%0.77679%0.79SS**  trans72.8113.2154.7-590000120.5
534Q32.1Very low31.8Very low189 Ų189136.9 Ų136.988%0.88379%0.791SS**  trans70.2158.6140.9-61.2-178.97.600119.2
535A29.8Very low31.8Very low84 Ų84135.9 Ų135.969%0.69479%0.793SS**  cis-170.9136.4-3500000108.9
536S35.4Very low32.1Very low130 Ų130136.9 Ų136.991%0.90980%0.798SS**  trans176.5170149.7-87.60000111.5
537K39.4Very low32.9Very low189 Ų189136.2 Ų136.282%0.82279%0.792SS**  trans-122.9162.7-169.2-64.8178.4178.2176.60112.9
538T32.6Very low33.1Very low139 Ų139132.3 Ų132.385%0.85379%0.788SS**  trans55.8111.8148.847.10000120.6
539A30.8Very low33.2Very low94 Ų94129 Ų12978%0.77779%0.786SS**  -170.4106.412900000114.1
540T35.7Very low33.5Very low132 Ų132132.2 Ų132.281%0.8179%0.789SS**  61.790.1117.5-44.10000123
541K34.8Very low33.6Very low173 Ų173129 Ų12975%0.75278%0.784SS**  47.9135.5116.2-147.5-175.7-176.41700121.1
542R34.3Very low33.8Very low220 Ų220133.9 Ų133.983%0.8379%0.785SS**  trans83.3149.5164.6-50.5-168.2-144.9-138.48.4115.5
543A30.5Very low34.1Very low98 Ų98134.9 Ų134.981%0.8179%0.787SS**  cis-157.1167.9-1600000110.3
544A31.3Very low34.7Very low101 Ų101135.4 Ų135.484%0.83579%0.788SS**  trans-86.9142.9179.200000113.6
545K33.1Very low35.1Very low196 Ų196132.3 Ų132.385%0.85278%0.784SS**  trans-160.2127.6148.5-154.791.7-179.7-168.80110.9
546D35.8Very low35.1Very low141 Ų141133.4 Ų133.475%0.75479%0.787SS**  trans-121.7138.6153.9-166.1-30.8000104.7A548D546-A548 PolarHBondContact OD1-N 3.09Å
547P48.4Very low34.9Very low106 Ų106131.8 Ų131.869%0.68878%0.776SS**  -149.1122115.734-15.3000115.4
548A35.1Very low34.7Very low80 Ų80131.8 Ų131.866%0.66178%0.778SS**  23.9131.8129.900000121D546D546-A548 PolarHBondContact OD1-N 3.09Å
549S35.7Very low34.9Very low100 Ų100130.4 Ų130.470%0.69977%0.774SS**  154.5150.699.661.70000115.9
550L34.3Very low35.5Very low164 Ų164133.7 Ų133.786%0.85978%0.777SS**  trans67.4148.9151.1-71.7163.8000119.2
551S31.1Very low35.8Very low88 Ų88132.5 Ų132.562%0.61577%0.772SS**  cis-160.6166.3-3.261.90000115.1
552K33.3Very low36Very low207 Ų207134.4 Ų134.490%0.978%0.78SS**  trans70.5152.3149.4-79171.5178.2174.70121.7
553A32.7Very low36.3Very low91 Ų91133 Ų13375%0.75278%0.783SS**  trans-119.5-180175.900000109
554P41.6Very low36.7Very low122 Ų122135.1 Ų135.179%0.79278%0.78SS**  -142.1176.154.941.4-23.4000116.2
555P41.3Very low36.9Very low124 Ų124133.7 Ų133.781%0.80578%0.775SS**  trans-105.1146.8170.537.3-30.2000113.9
556S30Very low37.5Very low107 Ų107133 Ų13375%0.74877%0.773SS**  trans-150.8116.6174.259.10000115.3
557S32Very low37.9Very low96 Ų96133.3 Ų133.367%0.67178%0.779SS**  trans58.2136.3142.165.20000123
558H34.8Very low38.1Very low188 Ų188137.6 Ų137.687%0.8779%0.787SS**  trans70146.8169-54-75.8000116
559S35.8Very low38.1Very low110 Ų110141 Ų14177%0.76979%0.794SS**  cis-148.1161.32.655.10000113.4
560I43.2Very low39.1Very low163 Ų163141.7 Ų141.784%0.83679%0.794SS**  trans-122154.9167.5-78.6174.6000106.4
561P43.3Very low39.5Very low108 Ų108141.9 Ų141.970%0.70179%0.79SS**  cis-127.91758.837.7-21.7000115.9
562K39.1Very low40.2Very low213 Ų213147 Ų14793%0.92680%0.802SS**  trans-138136.2139-76.8-162.5175.6179.80111.4
563Q40.4Very low40.8Very low190 Ų190143.5 Ų143.589%0.88880%0.797SS**  trans-80.4154.3173.8-62.8167.5-33.800110.7
564N38.3Very low41.3Very low143 Ų143143.8 Ų143.877%0.76580%0.8SS**  trans-154.587.6155-149.3-29.2000111.3
565G36.6Very low41.6Very low71 Ų71151.3 Ų151.373%0.73282%0.82SS**  trans-81.8129.6176.400000111.7
566K44.9Very low41.7Very low182 Ų182152.7 Ų152.779%0.79182%0.821SS**  trans-126.473.7170.6-75-172.9176.11790111.1K568K566-K568 PolarHBondContact O-N 3.26Å
567T43.3Very low42.3Very low146 Ų146155.1 Ų155.190%0.89683%0.825SS**  trans-62.611916641.40000109.9
568K52.7Low42.8Very low196 Ų196158.4 Ų158.485%0.85283%0.833SS**  trans-94.9113.2166.5-74.2-170.4176.1-175.40108.8K566K566-K568 PolarHBondContact O-N 3.26Å
569N36Very low43.3Very low151 Ų151156.6 Ų156.681%0.80783%0.831SS**  trans-77.6136.7176.3-155.9-0.6000109.5
570V55.8Low43.8Very low116 Ų116159.6 Ų159.670%0.70384%0.835SS**  trans-132.6112.9176.8179.80000108.2
571H43.8Very low43.8Very low168 Ų168159.3 Ų159.378%0.77884%0.835SS**  trans-70.6131.5177.5-111.7-88.6000110.8
572F46.5Very low43.9Very low194 Ų194163 Ų16385%0.85185%0.845SS**  trans-79.3138.4158.3-81.2-96.9000109.6
573V45Very low44.2Very low134 Ų134159.2 Ų159.281%0.81284%0.838SS**  trans-116119.5163.2173.80000106.3
574A42Very low44.6Very low97 Ų97156.6 Ų156.680%0.80283%0.834SS**  trans-74.8157.3176.900000111.3
575K49.8Very low45.1Very low281 Ų281157.8 Ų157.8100%1.22284%0.841SS**  trans-154.40174-136.1-179.5-173.1-178.90110.7

Retrieved 575 of 575 residues in 430.3 ms (Link to these results)