A0A087XW26_POEFO Loading...

Keratinocyte differentiation factor 1a

AlphaFold DB , UniProt , Accession A0A087XW26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 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
1M37.7Very low43.9Very low235 Ų235134.4 Ų134.4100%1.15885%0.85SS**  0145.40-85-147.669.500109
2P49Very low43.1Very low117 Ų117131.5 Ų131.576%0.7684%0.838SS**  trans-82.2167.8-142.835.6-35000113
3G40.3Very low42.5Very low70 Ų70138.8 Ų138.872%0.72284%0.839SS**  cis161.7149.912.100000108.7
4H49.8Very low42Very low185 Ų185141.7 Ų141.786%0.85684%0.839SS**  trans-58.5154.5-172.8-56.9-85.8000116
5S43.8Very low41.4Very low124 Ų124139.8 Ų139.887%0.86784%0.835SS**  -171.2135.5111.5-870000113.8
6S44.2Very low41.1Very low126 Ų126142.4 Ų142.488%0.88183%0.832SS**  trans-78.5152.2179.9-52.20000112.8
7G37.6Very low40.7Very low80 Ų80143.7 Ų143.783%0.82583%0.828SS**  trans-153.9104.8160.300000109.9
8A45.3Very low40.4Very low93 Ų93148.4 Ų148.477%0.76983%0.83SS**  trans-91.1149.2177.200000111.3
9P47.4Very low40.1Very low125 Ų125146.3 Ų146.381%0.81283%0.826SS**  trans-95.3129.7165.933.7-25.4000110.5
10Q40.7Very low39.7Very low189 Ų189144.7 Ų144.788%0.88383%0.825SS**  trans-108116.3170.5-77.1-112.5-2600109.9
11T47.2Very low39.7Very low134 Ų134146.6 Ų146.682%0.82283%0.826SS**  trans-95.5134.1161.659.70000109
12S33.8Very low39.5Very low100 Ų100138.2 Ų138.270%0.69980%0.8SS**  trans-171.7106.1164.4171.70000109
13R35.4Very low38.8Very low226 Ų226140 Ų14085%0.85380%0.803SS**  73.3119.483.9-74-172.3178.9-1701.5115.9
14H35.4Very low38.4Very low180 Ų180145.1 Ų145.183%0.83381%0.808SS**  trans44.6130.8135.5-69.4-65.4000123.1
15S33.2Very low38Very low113 Ų113145.8 Ų145.879%0.7981%0.809SS**  -176.4130.4111.574.80000108.8
16K36.8Very low38.1Very low181 Ų181145.2 Ų145.279%0.78780%0.802SS**  78.1136.267-98.3-169.9-175.9-178.60116.2
17H34.3Very low37.5Very low165 Ų165145.4 Ų145.476%0.76480%0.803SS**  trans84.2138.2170.8-64-72.6000116.2
18R34.4Very low37.6Very low229 Ų229152.5 Ų152.586%0.86481%0.805SS**  cis-161.6161.326.4-133167.2-170.9-115.95111.4
19S34.8Very low37.1Very low107 Ų107153.8 Ų153.875%0.74880%0.804SS**  trans-61.1151.2177.752.50000117.4
20S33.6Very low36.6Very low114 Ų114155.3 Ų155.380%0.79780%0.804SS**  trans-162.8149.2130.6-160.80000112.9
21Q39Very low36.2Very low185 Ų185155.5 Ų155.586%0.86480%0.797SS**  trans-54.6158.7-178.6-60.6164-24.800112.8
22G33Very low35.6Very low59 Ų59160.8 Ų160.861%0.60880%0.802SS**  cis113.2117.224.500000110.4
23N34.1Very low35.5Very low154 Ų154162.6 Ų162.682%0.82480%0.8SS**  trans96.9114.7165.5-48.7-31.8000116.6
24H32.3Very low35.4Very low178 Ų178157.1 Ų157.182%0.82480%0.796SS**  60.5115.173.5-75.222.5000111.6
25K41Very low35.4Very low199 Ų199155.3 Ų155.387%0.86580%0.798SS**  179.7177.770.4-117.5-175.4178.9176.20111.4
26P47.2Very low35.3Very low112 Ų112153.6 Ų153.673%0.72780%0.798SS**  trans-95.3171.1-16240.4-38.6000114.6
27S31.7Very low35.3Very low130 Ų130152.8 Ų152.891%0.90980%0.801SS**  trans-122.8127.4168.1-710000112.1
28R38.2Very low35.7Very low229 Ų229150.6 Ų150.686%0.86480%0.802SS**  trans-130.4161168.1-153.9-177.8-170.7-176.43.1106.6
29T36.1Very low35.5Very low121 Ų121146.6 Ų146.674%0.74280%0.797SS**  trans90.5148.5161.383.50000115.8
30I37.1Very low35.5Very low157 Ų157148.1 Ų148.181%0.80580%0.796SS**  cis-154.915417.2-50.2165.2000110.4
31Y31Very low35.5Very low192 Ų192153.8 Ų153.875%0.75380%0.801SS**  trans-47.8149.4156.8-152.9-99.2000116.5E33Y31-E33 HydrophobicContact CE1-CB 4.34Å
32R35Very low35.1Very low246 Ų246153.5 Ų153.593%0.92880%0.799SS**  trans-162.9134.8143.4-145.3178-176.3175.50.8113.3
33E31.3Very low35.2Very low138 Ų138158.4 Ų158.465%0.64581%0.81SS**  trans-97.7149.4178.9169.7178.7-174.800111.2Y31Y31-E33 HydrophobicContact CE1-CB 4.34Å
34S35Very low35.1Very low110 Ų110159.8 Ų159.877%0.76981%0.812SS**  trans169.3111.8139.5-73.90000113.9
35T35.1Very low35Very low142 Ų142155 Ų15587%0.87181%0.81SS**  37.5132.1124.5-26.10000123.1
36G30.5Very low34.6Very low77 Ų77153.4 Ų153.479%0.79481%0.806SS**  trans166.7105.4152.100000116.2
37L35.8Very low33.9Very low165 Ų165154.5 Ų154.586%0.86480%0.801SS**  trans-81.8153.2164.6-14890.9000109.8
38P43.9Very low33.9Very low119 Ų119156.1 Ų156.177%0.77379%0.792SS**  -146142.892.534.1-15.2000113.4
39D29.7Very low33.7Very low144 Ų144155 Ų15577%0.7779%0.788SS**  81.3138.889.8-154.226.1000117.2
40L35.4Very low33.5Very low139 Ų139155.6 Ų155.673%0.72878%0.782SS**  trans-50.3145.7-171.1-124.185.8000118.1
41R33.6Very low33.2Very low234 Ų234154.6 Ų154.688%0.88377%0.773SS**  165.2133.1112.9-87.9-178.8-151-107.42.1114.6
42E30.5Very low33.4Very low178 Ų178154.4 Ų154.483%0.83278%0.779SS**  trans-52.2147.2156-78.5167.3124.400114.2
43L33.9Very low33.2Very low162 Ų162149.5 Ų149.585%0.84877%0.771SS**  165.7119.7117-92.4153.3000112.1
44H32Very low33.4Very low184 Ų184150.9 Ų150.985%0.85278%0.783SS**  53.8131.2127.3-131.137.7000122.1
45G30.4Very low33.5Very low76 Ų76154.3 Ų154.378%0.78479%0.786SS**  trans168.790.9161.900000115.3
46E32.3Very low34.2Very low166 Ų166153 Ų15378%0.77678%0.78SS**  trans-65.6170.3174.8-85-80.816800115.7
47H33.8Very low34.4Very low136 Ų136160.4 Ų160.463%0.6378%0.784SS**  trans89.6107.3147.2-112.1-88.6000121.1
48F32.4Very low34.1Very low163 Ų163159.9 Ų159.972%0.71578%0.777SS**  164.8131.298.9-96.3-76000115
49R33.7Very low33.8Very low207 Ų207161.3 Ų161.378%0.78178%0.784SS**  trans40.1128.1142.1-81.1-179.1169.3-143.1-4.3121.9
50E30.3Very low33.9Very low133 Ų133160.9 Ų160.962%0.62178%0.777SS**  99.2132.251.6-152.4178.6-157.100113.8
51H32.4Very low33.6Very low135 Ų135160.2 Ų160.263%0.62578%0.784SS**  trans78.1119.4167.1-61.6-58.5000121
52H34.3Very low33.7Very low188 Ų188156.4 Ų156.487%0.8777%0.774SS**  -171.3129.999.4-92.9-66.6000113.4
53N31.8Very low34Very low143 Ų143155.8 Ų155.877%0.76578%0.777SS**  trans-65.2148.5171.4-74.9-45.7000112.8
54N35.5Very low33.8Very low167 Ų167151.6 Ų151.689%0.89377%0.772SS**  trans-153.6121.8146.1-86.9-51.8000111.6
55H36.4Very low34Very low182 Ų182149.3 Ų149.384%0.84377%0.774SS**  trans-103.2157.6160.3-95.4-28.7000108.6
56P48.9Very low34.4Very low114 Ų114151 Ų15174%0.7477%0.773SS**  -146.2140.9105.132.5-14.2000117.2
57R35.8Very low34.6Very low233 Ų233153.5 Ų153.588%0.87978%0.776SS**  trans41112.2135.2-52.4-177.3-165.2166.74.7119.2
58H29.7Very low34.5Very low155 Ų155157.4 Ų157.472%0.71879%0.785SS**  73.4105.873.9-146.5-71.7000115.1E60H58-E60 IonicContact CE1-OE2 3.69Å
59T36.2Very low35.3Very low148 Ų148160.6 Ų160.691%0.90879%0.794SS**  trans-129.2124.114943.50000108.4
60E33.3Very low35.7Very low135 Ų135155.9 Ų155.963%0.63179%0.79SS**  trans-94.5135.3-177.3-163-179.9150.100109.8H58 K62H58-E60 IonicContact CE1-OE2 3.69Å; E60-K62 WeakPolarHBondContact OE1-CE 3.23Å
61S27.5Very low36Very low126 Ų126160.9 Ų160.988%0.88180%0.803SS**  trans-146.1122154175.90000108
62K37.1Very low36.1Very low154 Ų154162.6 Ų162.667%0.6782%0.817SS**  trans-74.6142.7-168.5-71.7166.2169.6169.80112.3E60E60-K62 WeakPolarHBondContact OE1-CE 3.23Å
63N35.5Very low36.4Very low165 Ų165156.7 Ų156.788%0.88281%0.807SS**  161.8116.4120.9-75-23.6000111
64G31.5Very low36.5Very low73 Ų73156.2 Ų156.275%0.75381%0.81SS**  trans134.2129.2163.700000115.4
65P36.2Very low37.1Very low137 Ų137153.1 Ų153.189%0.8981%0.807SS**  trans-86.6138.6-150.232.9-34.9000116.1
66S38.6Very low37.5Very low110 Ų110155.4 Ų155.477%0.76981%0.808SS**  trans-85.4132.2168.2173.80000111.9
67R35.2Very low37.1Very low219 Ų219154.3 Ų154.383%0.82681%0.809SS**  trans149.9120.6131.2-87.2-172.3-175.9-169.61.9111
68R32.1Very low37.5Very low219 Ų219148.4 Ų148.483%0.82680%0.803SS**  166.5125.495.8-80.8-163.5-162.5-163.54.7109.4
69Y48.8Very low38.1Very low230 Ų230149.5 Ų149.590%0.90281%0.809SS**  trans-63146.8149.3-82.9-90000109.7
70P43.2Very low38.5Very low108 Ų108148.6 Ų148.670%0.70180%0.803SS**  -126.9120.9126.731.8-19.5000108.9
71R35.9Very low39.1Very low237 Ų237148.5 Ų148.589%0.89481%0.806SS**  58.775.786.7-161.8173.5-173.6166.91.2111.9G73R71-G73 PolarHBondContact O-N 3.36Å
72N34.3Very low39.9Very low172 Ų172145.2 Ų145.292%0.9279%0.792SS**  trans-69.3117.6158.9-76.1-13.9000108.4
73G40.2Very low40.3Very low64 Ų64146.8 Ų146.866%0.6680%0.799SS**  trans-16375.5-179.100000110.3R71R71-G73 PolarHBondContact O-N 3.36Å
74T34.7Very low41Very low133 Ų133146.2 Ų146.282%0.81679%0.794SS**  trans-147101.6149.6-36.90000108R76T74-R76 PolarHBondContact O-N 3.32Å
75A48.8Very low41.8Very low101 Ų101149 Ų14984%0.83580%0.799SS**  trans-58.311816600000108.9
76R44.5Very low41.6Very low230 Ų230145.4 Ų145.487%0.86879%0.787SS**  trans-131.6125.9147.5-72.8-152179.5-157.93.6107.3T74 S78T74-R76 PolarHBondContact O-N 3.32Å; R76-S78 PolarHBondContact O-N 3.28Å
77A40Very low41.7Very low91 Ų91145.6 Ų145.675%0.75279%0.788SS**  trans-50.1127.2-167.300000112.2E79A77-E79 PolarHBondContact O-N 3.48Å
78S43.8Very low41.9Very low109 Ų109139.9 Ų139.976%0.76279%0.788SS**  trans-67.8107.7154.7-55.10000106.4R76 T80R76-S78 PolarHBondContact O-N 3.28Å; S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 3.02Å
79E43Very low42.2Very low179 Ų179137 Ų13784%0.83679%0.789SS**  trans-69.588.3170.5-64.3178.4-169.100108.1A77 I81A77-E79 PolarHBondContact O-N 3.48Å; E79-I81 PolarHBondContact O-N 3.13Å; E79-I81 VanDerWaalsContact O-N 3.14Å
80T44Very low41.9Very low128 Ų128131.8 Ų131.879%0.78579%0.786SS**  trans-72.798.8168.3-52.20000107.5S78 G82S78-T80 VanDerWaalsContact C-N 3.26Å; S78-T80 PolarHBondContact O-N 3.02Å; T80-G82 PolarHBondContact O-N 3.33Å
81I46.8Very low41.6Very low134 Ų134131 Ų13169%0.68779%0.789SS**  trans-68.991165.9-64.4166.5000106.7E79 F83E79-I81 PolarHBondContact O-N 3.13Å; E79-I81 VanDerWaalsContact O-N 3.14Å; I81-F83 PolarHBondContact O-N 3.03Å
82G42.7Very low41.7Very low57 Ų57126 Ų12659%0.58879%0.787SS**  trans-71.5112.9167.400000108.8T80 I84T80-G82 PolarHBondContact O-N 3.33Å; G82-I84 PolarHBondContact O-N 3.3Å
83F45.6Very low42.3Very low186 Ų186122.5 Ų122.582%0.81678%0.782SS**  trans-65.5119.2166-71-85.9000108.3I81 P85I81-F83 PolarHBondContact O-N 3.03Å; F83-P85 VanDerWaalsContact O-CD 3.26Å; F83-P85 WeakPolarHBondContact O-CD 3.37Å
84I50.8Low42.3Very low153 Ų153124.9 Ų124.979%0.78579%0.788SS**  trans-69.2119.5168-61-167.5000107.4G82 G86G82-I84 PolarHBondContact O-N 3.3Å; I84-G86 VanDerWaalsContact C-N 3.3Å; I84-G86 PolarHBondContact O-N 2.67Å
85P48.7Very low42.5Very low131 Ų131130 Ų13085%0.85179%0.793SS**  trans-74.289.5166.8-5.524.1000107.5F83F83-P85 VanDerWaalsContact O-CD 3.26Å; F83-P85 WeakPolarHBondContact O-CD 3.37Å
86G31.7Very low42.2Very low63 Ų63131.4 Ų131.465%0.64979%0.794SS**  trans-81.2126.9172.700000110.5I84 A88I84-G86 VanDerWaalsContact C-N 3.3Å; I84-G86 PolarHBondContact O-N 2.67Å; G86-A88 PolarHBondContact O-N 3.06Å
87S40.5Very low41.7Very low114 Ų114126 Ų12680%0.79779%0.791SS**  trans-50.3126.9-175.557.40000114.2D89S87-D89 PolarHBondContact O-N 2.68Å
88A39.4Very low41.5Very low99 Ų99127.6 Ų127.682%0.81880%0.795SS**  trans-79.3112.7165.600000109.6G86G86-A88 PolarHBondContact O-N 3.06Å
89D38.2Very low41Very low157 Ų157125 Ų12584%0.8479%0.785SS**  trans-64136.3164-99-36.7000110S87 A91S87-D89 PolarHBondContact O-N 2.68Å; D89-A91 PolarHBondContact O-N 3.32Å
90S42.4Very low40.8Very low122 Ų122122 Ų12285%0.85379%0.785SS**  trans-74114.1-175-56.30000110.6
91A37Very low40.5Very low91 Ų91121.9 Ų121.975%0.75279%0.787SS**  trans-105.1139.9167.700000110.6D89D89-A91 PolarHBondContact O-N 3.32Å
92P38.3Very low40.6Very low131 Ų131120.5 Ų120.585%0.85179%0.787SS**  trans-74.6146.9-157.427.9-34.7000114.7S94P92-S94 PolarHBondContact O-N 3.17Å
93A46.7Very low40.9Very low99 Ų99123.7 Ų123.782%0.81880%0.8SS**  trans-57.9117.916900000111.7
94S40.9Very low41.5Very low114 Ų114121 Ų12180%0.79779%0.792SS**  trans162.899.3136.454.10000110.1P92P92-S94 PolarHBondContact O-N 3.17Å
95R38.2Very low41.9Very low240 Ų240115.2 Ų115.291%0.90677%0.77SS**  trans-131.7128.2149.4-70.7-170.2178.2-168.80.2106.8S97R95-S97 PolarHBondContact O-N 2.95Å; R95-S97 VanDerWaalsContact O-N 3.13Å
96P43.3Very low42.9Very low132 Ų132119.3 Ų119.386%0.85777%0.769SS**  trans-63.5119.8-175.124.4-31000109.2C98P96-C98 PolarHBondContact O-N 3.36Å
97S34.5Very low44.5Very low115 Ų115120.8 Ų120.880%0.80477%0.769SS**  trans-54.8115162.3-176.20000107.6R95 G99R95-S97 PolarHBondContact O-N 2.95Å; R95-S97 VanDerWaalsContact O-N 3.13Å; S97-G99 PolarHBondContact O-N 3.31Å
98C34.3Very low45.5Very low126 Ų126117 Ų11785%0.85174%0.742SS**  trans-66.8105.6171.9-175.50000107.3P96P96-C98 PolarHBondContact O-N 3.36Å
99G34.8Very low47Very low53 Ų53114.2 Ų114.255%0.54672%0.716SS.*  trans-63.6144.2179.700000112.3S97 C101S97-G99 PolarHBondContact O-N 3.31Å; G99-C101 PolarHBondContact O-N 3.12Å
100S39Very low48.7Very low118 Ų118113.6 Ų113.683%0.82571%0.706SS**  trans35.585.3146.9-58.20000116.7P102S100-P102 WeakPolarHBondContact O-CD 3.3Å
101C37.5Very low50Low124 Ų124110.7 Ų110.784%0.83869%0.69SS**  trans-65.1120.8149.3-83.50000107.6G99 S103G99-C101 PolarHBondContact O-N 3.12Å; C101-S103 PolarHBondContact O-N 3.14Å
102P48.2Very low51.8Low106 Ų106111.4 Ų111.469%0.68868%0.68SS**  trans-57.4135.4162.626.1-31.2000106.9S100 M104S100-P102 WeakPolarHBondContact O-CD 3.3Å; P102-M104 PolarHBondContact O-N 3.45Å
103S49.8Very low53.7Low123 Ų123109.9 Ų109.986%0.8666%0.664SS**  trans-52.690.9174.1-179.70000109.2C101 G105C101-S103 PolarHBondContact O-N 3.14Å; S103-G105 PolarHBondContact O-N 3.42Å
104M57Low54.7Low131 Ų131108.6 Ų108.665%0.64565%0.648SS**  trans-71.5102.8174.1-167.170.982.700104.1P102 S108P102-M104 PolarHBondContact O-N 3.45Å; M104-S108 VanDerWaalsContact CG-OG 3.3Å; M104-S108 WeakPolarHBondContact CG-OG 3.41Å
105G59Low55.9Low31 Ų31112.2 Ų112.232%0.3265%0.645SS.*  trans-47.5147.9-173.600000111.7S103 S107 S108 C109S103-G105 PolarHBondContact O-N 3.42Å; G105-S107 PolarHBondContact O-N 2.88Å; G105-S108 PolarHBondContact N-OG 2.96Å; G105-S108 PolarHBondContact O-N 3.04Å; G105-S108 PolarHBondContact O-OG 3.47Å; G105-C109 PolarHBondContact O-N 2.8Å
106W70Confident57.7Low217 Ų217106.5 Ų106.582%0.82263%0.63SS**Hα-helixtrans-47.8-25.5179.3179.7-98.7000114C109 K110W106-C109 PolarHBondContact O-SG 3.38Å; W106-K110 WeakPolarHBondContact O-CB 3.33Å; W106-K110 PolarHBondContact O-N 2.83Å; W106-K110 VanDerWaalsContact O-N 3.13Å
107S66.3Low59Low93 Ų93107 Ų10765%0.6563%0.625SS**Hα-helixtrans-64.9-42.717351.40000113.7G105 K110 A111G105-S107 PolarHBondContact O-N 2.88Å; S107-K110 PolarHBondContact O-N 3.13Å; S107-A111 PolarHBondContact O-N 3.31Å; S107-A111 VanDerWaalsContact O-N 3.14Å
108S60.1Low60.2Low35 Ų35108.5 Ų108.525%0.24562%0.623CS.*Hα-helixtrans-73.2-34.8178.8190000112.6M104 G105 K110 A111 L112M104-S108 VanDerWaalsContact CG-OG 3.3Å; M104-S108 WeakPolarHBondContact CG-OG 3.41Å; G105-S108 PolarHBondContact N-OG 2.96Å; G105-S108 PolarHBondContact O-N 3.04Å; G105-S108 PolarHBondContact O-OG 3.47Å; S108-K110 VanDerWaalsContact C-N 3.34Å; S108-A111 PolarHBondContact O-N 2.9Å; S108-L112 PolarHBondContact O-N 2.94Å; S108-L112 VanDerWaalsContact O-N 3.12Å
109C71.4Confident61.2Low41 Ų41106.5 Ų106.528%0.27761%0.61SS.*Hα-helixtrans-68-36.8172.692.40000111.3G105 W106 A111 L112 L113G105-C109 PolarHBondContact O-N 2.8Å; W106-C109 PolarHBondContact O-SG 3.38Å; C109-A111 VanDerWaalsContact C-N 3.32Å; C109-A111 PolarHBondContact O-N 3.21Å; C109-L112 PolarHBondContact O-N 3.44Å; C109-L113 WeakPolarHBondContact O-CB 3.34Å; C109-L113 WeakPolarHBondContact O-CG 3.14Å; C109-L113 PolarHBondContact O-N 3.42Å
110K73.3Confident61.7Low144 Ų144106.8 Ų106.863%0.62661%0.613SS**Hα-helixtrans-63.3-37.9175.4-169.9178179.7-177.40111.9W106 S107 S108 C114W106-K110 WeakPolarHBondContact O-CB 3.33Å; W106-K110 PolarHBondContact O-N 2.83Å; W106-K110 VanDerWaalsContact O-N 3.13Å; S107-K110 PolarHBondContact O-N 3.13Å; S108-K110 VanDerWaalsContact C-N 3.34Å; K110-C114 WeakPolarHBondContact O-CB 3.36Å; K110-C114 PolarHBondContact O-N 3.37Å
111A71.3Confident62Low61 Ų61106 Ų10650%0.50461%0.606SS.*Hα-helixtrans-68.7-40.1176.200000112.6S107 S108 C109 C114 R115S107-A111 PolarHBondContact O-N 3.31Å; S107-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact O-N 2.9Å; C109-A111 VanDerWaalsContact C-N 3.32Å; C109-A111 PolarHBondContact O-N 3.21Å; A111-C114 PolarHBondContact O-N 3.44Å; A111-R115 WeakPolarHBondContact O-CB 3.5Å; A111-R115 PolarHBondContact O-N 3.43Å
112L75Confident62.3Low105 Ų105106.2 Ų106.255%0.5561%0.607SS.*Hα-helixtrans-65-45174.5-89.6155.1000112.2S108 C109 R115 M116S108-L112 PolarHBondContact O-N 2.94Å; S108-L112 VanDerWaalsContact O-N 3.12Å; C109-L112 PolarHBondContact O-N 3.44Å; L112-R115 PolarHBondContact O-N 3.08Å; L112-M116 WeakPolarHBondContact O-CG 3.29Å; L112-M116 PolarHBondContact O-N 3.28Å
113L76.6Confident61.9Low100 Ų100104.5 Ų104.552%0.52461%0.609SS.*Hα-helixtrans-64.1-41.1175.7-73.3167.6000111.6C109 R115 M116 L117C109-L113 WeakPolarHBondContact O-CB 3.34Å; C109-L113 WeakPolarHBondContact O-CG 3.14Å; C109-L113 PolarHBondContact O-N 3.42Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 2.88Å; L113-M116 PolarHBondContact O-N 2.89Å; L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.27Å; L113-L117 WeakPolarHBondContact O-CD1 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.42Å
114C69Low61.5Low71 Ų71104.5 Ų104.548%0.4861%0.609SS.*Hα-helixtrans-64-39.1174.5-1690000111.2K110 A111 N118K110-C114 WeakPolarHBondContact O-CB 3.36Å; K110-C114 PolarHBondContact O-N 3.37Å; A111-C114 PolarHBondContact O-N 3.44Å; C114-N118 VanDerWaalsContact O-CB 3.31Å; C114-N118 WeakPolarHBondContact O-CB 3.2Å; C114-N118 PolarHBondContact O-N 2.9Å
115R64.8Low60.5Low190 Ų190109.3 Ų109.372%0.71762%0.62SS**Hα-helixtrans-66.3-40.7175.4-172174.8-74.9-165.9-3.5112.2A111 L112 L113 C119A111-R115 WeakPolarHBondContact O-CB 3.5Å; A111-R115 PolarHBondContact O-N 3.43Å; L112-R115 PolarHBondContact O-N 3.08Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 2.88Å; R115-C119 CarbonylContact O-C 3.55Å; R115-C119 WeakPolarHBondContact O-CA 3.11Å; R115-C119 WeakPolarHBondContact O-CB 3.37Å; R115-C119 PolarHBondContact O-N 2.9Å
116M76.7Confident59.4Low121 Ų121115.8 Ų115.860%0.59664%0.642SS**Hα-helixtrans-70.9-35.7178-67.3-102.3-70.800112.9L112 L113 C121L112-M116 WeakPolarHBondContact O-CG 3.29Å; L112-M116 PolarHBondContact O-N 3.28Å; L113-M116 PolarHBondContact O-N 2.89Å; M116-C121 VanDerWaalsContact SD-SG 3.67Å
117L70.1Confident58Low143 Ų143111.7 Ų111.775%0.74964%0.644SS**Hα-helixtrans-84.6-35.8-177-70.1166.4000112.9L113L113-L117 VanDerWaalsContact O-CB 3.24Å; L113-L117 WeakPolarHBondContact O-CB 3.27Å; L113-L117 WeakPolarHBondContact O-CD1 3.43Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.45Å; L113-L117 PolarHBondContact O-N 3.42Å
118N60.4Low56.5Low145 Ų145112.7 Ų112.778%0.77565%0.65SS**Hα-helixtrans-95-19178.7-96.919.8000114.1C114C114-N118 VanDerWaalsContact O-CB 3.31Å; C114-N118 WeakPolarHBondContact O-CB 3.2Å; C114-N118 PolarHBondContact O-N 2.9Å
119C56Low55.7Low85 Ų85118.7 Ų118.757%0.57468%0.679SS**SBendtrans-120.494.3175.3-1580000107.2R115 C121R115-C119 CarbonylContact O-C 3.55Å; R115-C119 WeakPolarHBondContact O-CA 3.11Å; R115-C119 WeakPolarHBondContact O-CB 3.37Å; R115-C119 PolarHBondContact O-N 2.9Å; C119-C121 PolarHBondContact O-N 3.41Å
120G45Very low54.1Low58 Ų58122.7 Ų122.760%0.59870%0.704SS**  trans-48.6127.8177.700000110.4C122G120-C122 PolarHBondContact O-N 3.44Å
121C45.3Very low52Low102 Ų102122.3 Ų122.369%0.68971%0.708SS**  trans-61.795-179.9-67.40000110.6M116 C119M116-C121 VanDerWaalsContact SD-SG 3.67Å; C119-C121 PolarHBondContact O-N 3.41Å
122C43.1Very low50.2Low128 Ų128126.1 Ų126.187%0.86572%0.719SS**  trans-91.2105.4164.1-68.60000108.9G120G120-C122 PolarHBondContact O-N 3.44Å
123G39.2Very low48.1Very low70 Ų70129.3 Ų129.372%0.72273%0.732SS**  trans37.8125.7146.900000121.6
124S42.2Very low46Very low124 Ų124130.3 Ų130.387%0.86775%0.747SS**  trans61.9111144.7-172.30000118.8
125R36.6Very low44.3Very low232 Ų232132.4 Ų132.488%0.87576%0.762SS**  175.8146.7113.5-155.5167.3-176.1-173.8-0.1111
126E36.2Very low42.9Very low167 Ų167129.2 Ų129.278%0.7876%0.764SS**  trans-20.9142.2174.8-11892.417400118.7S128E126-S128 PolarHBondContact O-N 3.48Å
127P39.8Very low40.7Very low131 Ų131130.8 Ų130.885%0.85178%0.775SS**  trans-76.9107.3166.6-1.418.9000111
128S35.1Very low38.9Very low113 Ų113132 Ų13279%0.7978%0.776SS**PPolyproline II helixtrans-85.9123.2165.356.10000110.6E126E126-S128 PolarHBondContact O-N 3.48Å
129L41.8Very low38.1Very low161 Ų161130.3 Ų130.384%0.84377%0.773SS**PPolyproline II helixtrans-57145.6174.4-60.8167.7000112.1
130P38.1Very low37Very low125 Ų125132.4 Ų132.481%0.81278%0.784SS**PPolyproline II helixtrans-88.6121.2162.830.5-26.5000111.4
131I30.4Very low36.4Very low136 Ų136138.9 Ų138.970%0.69780%0.796SS**PPolyproline II helixtrans-68.3136.2167.6-96.3156.1000110.5E133I131-E133 HydrophobicContact CG2-CG 3.89Å; I131-E133 VanDerWaalsContact CG2-OE1 3.23Å; I131-E133 WeakPolarHBondContact CG2-OE1 3.21Å
132N32.1Very low35.7Very low141 Ų141140 Ų14075%0.75480%0.804SS**  trans-81.5110.9169.546.4-71.9000110.7
133E31.9Very low34.9Very low173 Ų173137.7 Ų137.781%0.80880%0.803SS**  trans-164.6128.6150.230.2-139.6132.900113.3I131I131-E133 HydrophobicContact CG2-CG 3.89Å; I131-E133 VanDerWaalsContact CG2-OE1 3.23Å; I131-E133 WeakPolarHBondContact CG2-OE1 3.21Å
134S31.9Very low34.4Very low120 Ų120138.5 Ų138.584%0.83981%0.811SS**  trans-86.4134.4171.61590000108.8
135S33.2Very low33.9Very low115 Ų115140.8 Ų140.880%0.80481%0.808SS**  trans-169.9128.2135.2-165.30000112.3
136T36.7Very low34.2Very low123 Ų123135.3 Ų135.376%0.75580%0.802SS**  trans-49.7135.6160.3-64.40000112.9
137D29.5Very low34.3Very low155 Ų155130.9 Ų130.983%0.82979%0.79SS**  -164.4143.6127.8-135.8-12.4000112.5
138H33.1Very low34Very low168 Ų168132.1 Ų132.178%0.77879%0.789SS**  trans-114.8155.2173.6-95-61.4000107.1
139P43.3Very low33.7Very low109 Ų109130.1 Ų130.171%0.70879%0.786SS**  -157.116072.238.9-16.2000119.6
140T33.5Very low33.4Very low130 Ų130131.9 Ų131.980%0.79879%0.792SS**  trans43.8137.9148.154.50000120.8
141K32.1Very low33.1Very low194 Ų194130.1 Ų130.184%0.84379%0.789SS**  cis-176.615045.7-161.5175.7-179.7177.90112
142S29.2Very low33.6Very low124 Ų124130.6 Ų130.687%0.86779%0.792SS**  trans74.1134.2161.4840000118.1
143G26.8Very low33.7Very low81 Ų81130.5 Ų130.584%0.83580%0.797SS**  cis171.2149.30.300000108.6
144G29Very low33.9Very low87 Ų87128.8 Ų128.890%0.89779%0.793SS**  trans120.19816500000115.8
145E32.3Very low33.9Very low172 Ų172128.4 Ų128.480%0.80479%0.79SS**  trans-125141.5153.2166.5163.4-162.100105.9
146P43Very low33.9Very low117 Ų117128.7 Ų128.776%0.7679%0.787SS**  -140.9134.894.724-0.4000116.6
147S37.2Very low33.9Very low73 Ų73128.6 Ų128.651%0.5179%0.79SS.*  65.8124.2118.6111.90000122.7
148N33.5Very low34.1Very low158 Ų158127 Ų12785%0.84579%0.786SS**  trans69.8120131.6-55.8-29.5000122
149G30.3Very low34.1Very low70 Ų70125.4 Ų125.472%0.72279%0.788SS**  119.5122.6125.800000119.8
150M35Very low33.3Very low198 Ų198125.4 Ų125.498%0.97579%0.79SS**  trans73.4147.9152.3-47.4-17989.300116.4
151A30.8Very low33.6Very low89 Ų89127.8 Ų127.874%0.73680%0.795SS**  cis-157.8157.418.500000111.9
152L42.3Very low33.6Very low145 Ų145127.2 Ų127.276%0.75980%0.795SS**  trans-54.6140.2163.2-103.263.1000112.2
153T34.2Very low34.1Very low140 Ų140126.1 Ų126.186%0.85979%0.785SS**  trans-137.4107.6149.2560000110.5
154N36.1Very low34.3Very low137 Ų137125.6 Ų125.673%0.73378%0.78SS**  trans-78.3134.5165.6-55.7-40.2000108.3
155S30.5Very low34.5Very low112 Ų112131.7 Ų131.778%0.78378%0.781SS**  trans-106.491170.8179.90000110.2
156T34.8Very low34.6Very low121 Ų121129.6 Ų129.674%0.74278%0.78SS**  trans-96.2118.6158.5-64.60000107V158T156-V158 HydrophobicContact CG2-CG2 4.22Å
157C35.6Very low34.1Very low120 Ų120129.8 Ų129.881%0.81178%0.779SS**  trans-119.9103.5167.3-72.90000109.5
158V34.4Very low34.2Very low123 Ų123135.6 Ų135.675%0.74580%0.796SS**  trans-89.5162160.61700000108T156T156-V158 HydrophobicContact CG2-CG2 4.22Å
159V33.2Very low34.7Very low133 Ų133134.1 Ų134.181%0.80680%0.798SS**  trans123.5129.3159.8177.80000110
160S26.1Very low35.2Very low109 Ų109135.2 Ų135.276%0.76280%0.8SS**  cis-158.314723.8-1490000111.5
161M38.6Very low35.4Very low181 Ų181137.2 Ų137.289%0.89280%0.797SS**  trans-96.1147.4155.3-75.9-175.674.300109.4
162E33.4Very low35.8Very low181 Ų181138.9 Ų138.985%0.84680%0.797SS**  trans-156.2150.2152.8-112.8-77124.200110
163P38.7Very low35.9Very low102 Ų102136.7 Ų136.766%0.66279%0.792SS**  trans-115155.1-160.237.6-23.1000116.5
164G31.8Very low36.5Very low70 Ų70137 Ų13772%0.72279%0.794SS**  trans96110.2134.600000120.7
165K32.1Very low37Very low215 Ų215135.3 Ų135.394%0.93579%0.792SS**  179.7154.7122.6-95.2163.8-171.9175.80112.3
166T35Very low38.2Very low127 Ų127134.7 Ų134.778%0.77978%0.777SS**  trans-96167.1-148.846.90000116.6
167T33.7Very low39.2Very low121 Ų121133.8 Ų133.874%0.74278%0.776SS**  trans104.5105.8147.4-29.30000117.1
168K37.8Very low40.3Very low196 Ų196135.8 Ų135.885%0.85277%0.771SS**  179.2127109-88.9163.1-169.8-178.50109.5A170K168-A170 PolarHBondContact O-N 3.01Å
169S45.3Very low42Very low127 Ų127134.1 Ų134.189%0.88875%0.752SS**  trans-65.3124.2175.358.50000110.1
170A40.3Very low44Very low93 Ų93133.9 Ų133.977%0.76974%0.737SS**  trans-108.2117.8162.900000106.8K168 V172K168-A170 PolarHBondContact O-N 3.01Å; A170-V172 PolarHBondContact O-N 2.87Å
171R39.2Very low45.9Very low240 Ų240137 Ų13791%0.90674%0.739SS**PPolyproline II helixtrans-46.6127175.5-68.7178.6-175.1-166.50.6109.7P173R171-P173 VanDerWaalsContact O-CD 3.26Å; R171-P173 WeakPolarHBondContact O-CD 3.21Å
172V38.8Very low47.7Very low124 Ų124134.3 Ų134.375%0.75273%0.729SS**PPolyproline II helixtrans-64.3120166.31780000107.8A170 T174A170-V172 PolarHBondContact O-N 2.87Å; V172-T174 PolarHBondContact O-N 3.22Å
173P44.2Very low49.7Very low99 Ų99128.2 Ų128.264%0.64370%0.704SS**PPolyproline II helixtrans-69.8118.6165.4-13.530000108.3R171 S175R171-P173 VanDerWaalsContact O-CD 3.26Å; R171-P173 WeakPolarHBondContact O-CD 3.21Å; P173-S175 PolarHBondContact O-N 3.34Å
174T46.3Very low51.8Low147 Ų147130.7 Ų130.790%0.90270%0.7SS**THydrogen-bonded Turntrans-71.831.7-172.9-250000114.5V172V172-T174 PolarHBondContact O-N 3.22Å
175S47.5Very low53.5Low100 Ų100134.6 Ų134.670%0.69970%0.697SS**THydrogen-bonded Turntrans-144.820.3-175.775.10000116.2P173P173-S175 PolarHBondContact O-N 3.34Å
176E55.6Low55.5Low99 Ų99136.7 Ų136.746%0.46370%0.699SS.*  trans-133.842.9-172.3-149.681.9-123.500113.6F178 R179E176-F178 VanDerWaalsContact C-N 3.26Å; E176-F178 PolarHBondContact O-N 3.48Å; E176-R179 VanDerWaalsContact CD-CZ 3.45Å; E176-R179 HydrophobicContact CG-CB 4.34Å; E176-R179 HydrophobicContact CG-CG 4.12Å; E176-R179 IonicContact OE1-CZ 3.13Å; E176-R179 IonicContact OE1-NE 2.67Å; E176-R179 PolarHBondContact OE1-NE 2.88Å; E176-R179 IonicContact OE1-NH2 2.97Å; E176-R179 PolarHBondContact OE1-NH2 3.47Å; E176-R179 IonicContact OE2-CZ 3.62Å; E176-R179 IonicContact OE2-NE 3.69Å; E176-R179 IonicContact OE2-NH2 2.75Å; E176-R179 PolarHBondContact OE2-NH2 2.92Å
177S55.4Low57.5Low103 Ų103133.1 Ų133.172%0.7269%0.687SS**THydrogen-bonded Turntrans-74.5-3.3-170.9-165.90000115.8
178F58.8Low59.5Low162 Ų162134.6 Ų134.671%0.71169%0.686SS**THydrogen-bonded Turntrans-12312.8-172.5-64.2-74.7000114.8E176E176-F178 VanDerWaalsContact C-N 3.26Å; E176-F178 PolarHBondContact O-N 3.48Å
179R70.8Confident61.7Low88 Ų88129.9 Ų129.933%0.33267%0.669SS.*  trans-97.5105.7174.5-67.7-150.1-97-171.1-5.6110.5E176 Q181 Y192E176-R179 VanDerWaalsContact CD-CZ 3.45Å; E176-R179 HydrophobicContact CG-CB 4.34Å; E176-R179 HydrophobicContact CG-CG 4.12Å; E176-R179 IonicContact OE1-CZ 3.13Å; E176-R179 IonicContact OE1-NE 2.67Å; E176-R179 PolarHBondContact OE1-NE 2.88Å; E176-R179 IonicContact OE1-NH2 2.97Å; E176-R179 PolarHBondContact OE1-NH2 3.47Å; E176-R179 IonicContact OE2-CZ 3.62Å; E176-R179 IonicContact OE2-NE 3.69Å; E176-R179 IonicContact OE2-NH2 2.75Å; E176-R179 PolarHBondContact OE2-NH2 2.92Å; R179-Q181 PolarHBondContact O-N 3.43Å; R179-Y192 HydrophobicContact CB-CD2 4.36Å; R179-Y192 HydrophobicContact CB-CE2 4.33Å; R179-Y192 HydrophobicContact CG-CD2 4.06Å; R179-Y192 HydrophobicContact CG-CE2 4.38Å; R179-Y192 HydrophobicContact CG-CG 4.24Å
180Y75.4Confident63.3Low128 Ų128125.9 Ų125.950%0.50264%0.639SS.*  trans-86.798.9178.6-65.6-80000109.9D182 V183Y180-D182 WeakPolarHBondContact CA-OD1 3.35Å; Y180-D182 VanDerWaalsContact CB-OD1 3.3Å; Y180-D182 WeakPolarHBondContact CB-OD1 3.38Å; Y180-D182 PolarHBondContact O-N 3.38Å; Y180-V183 HydrophobicContact CG-CG2 4.37Å; Y180-V183 PolarHBondContact O-N 2.89Å
181Q66.4Low65.1Low173 Ų173128.7 Ų128.781%0.80864%0.641SS**THydrogen-bonded Turntrans-67.6-13.9178-83.9173.5-500113.5R179R179-Q181 PolarHBondContact O-N 3.43Å
182D75.5Confident66.9Low125 Ų125121 Ų12167%0.66861%0.613SS**THydrogen-bonded Turntrans-87.3-13.8179.355.2-37000113.6Y180 R184Y180-D182 WeakPolarHBondContact CA-OD1 3.35Å; Y180-D182 VanDerWaalsContact CB-OD1 3.3Å; Y180-D182 WeakPolarHBondContact CB-OD1 3.38Å; Y180-D182 PolarHBondContact O-N 3.38Å; D182-R184 PolarHBondContact O-N 2.92Å
183V75.3Confident68.3Low53 Ų53120.7 Ų120.732%0.32161%0.613SS.*  trans-80.4120.3179.5176.70000110.7Y180 F185 V190Y180-V183 HydrophobicContact CG-CG2 4.37Å; Y180-V183 PolarHBondContact O-N 2.89Å; V183-F185 HydrophobicContact CG1-CD2 4.43Å; V183-F185 HydrophobicContact CG1-CE2 3.94Å; V183-V190 HydrophobicContact CG1-CG2 4.12Å
184R83.6Confident69.4Low155 Ų155120.8 Ų120.859%0.58561%0.612SS**EExtended strand (participates in β ladder)trans-126.9130.2176.6-60.2179.3-177.4-140.64.4110.6D182 E188 I189D182-R184 PolarHBondContact O-N 2.92Å; R184-E188 CarbonylContact C-O 3.54Å; R184-E188 WeakPolarHBondContact CA-O 3.16Å; R184-E188 WeakPolarHBondContact CB-O 3.46Å; R184-I189 HydrophobicContact CG-CG1 4.24Å
185F65.9Low69.5Low151 Ų151120.8 Ų120.866%0.66261%0.606SS**EExtended strand (participates in β ladder)trans-99.5124.2167.3-71.3-85.7000108.2V183 G187 E188 V190V183-F185 HydrophobicContact CG1-CD2 4.43Å; V183-F185 HydrophobicContact CG1-CE2 3.94Å; F185-G187 PolarHBondContact O-N 2.83Å; F185-G187 VanDerWaalsContact O-N 3.09Å; F185-E188 PolarHBondContact N-O 3.01Å; F185-E188 PolarHBondContact O-N 3.15Å; F185-V190 HydrophobicContact CD2-CG2 3.43Å; F185-V190 VanDerWaalsContact CD2-CG2 3.43Å; F185-V190 HydrophobicContact CE2-CG2 3.73Å
186R75.7Confident69.5Low260 Ų260121.4 Ų121.498%0.98161%0.608SS**THydrogen-bonded Turntrans56.626.7-179.1-150.6-177.6-155.5-84.1-0.7114.1E188R186-E188 VanDerWaalsContact C-N 3.35Å
187G76.7Confident68.9Low51 Ų51122.1 Ų122.153%0.52662%0.624SS.*THydrogen-bonded Turntrans87.6-5.9-177.800000115.2F185F185-G187 PolarHBondContact O-N 2.83Å; F185-G187 VanDerWaalsContact O-N 3.09Å
188E75.8Confident68.2Low153 Ų153127.3 Ų127.372%0.71563%0.633SS**EExtended strand (participates in β ladder)trans-96.7137.4-179.2-164.9171.8-177.500111.5R184 F185 R186R184-E188 CarbonylContact C-O 3.54Å; R184-E188 WeakPolarHBondContact CA-O 3.16Å; R184-E188 WeakPolarHBondContact CB-O 3.46Å; F185-E188 PolarHBondContact N-O 3.01Å; F185-E188 PolarHBondContact O-N 3.15Å; R186-E188 VanDerWaalsContact C-N 3.35Å
189I83.8Confident67.8Low97 Ų97130.5 Ų130.550%0.49764%0.641SS.*EExtended strand (participates in β ladder)trans-74.3132.5-177.9-61.4171000109.2R184 N191R184-I189 HydrophobicContact CG-CG1 4.24Å; I189-N191 PolarHBondContact O-N 3.04Å
190V78.8Confident66.1Low43 Ų43132.5 Ų132.526%0.26166%0.663SS.*PPolyproline II helixtrans-68.6119.4177.3179.70000110.3V183 F185 Y192V183-V190 HydrophobicContact CG1-CG2 4.12Å; F185-V190 HydrophobicContact CD2-CG2 3.43Å; F185-V190 VanDerWaalsContact CD2-CG2 3.43Å; F185-V190 HydrophobicContact CE2-CG2 3.73Å; V190-Y192 HydrophobicContact CB-CE2 4.35Å; V190-Y192 HydrophobicContact CG1-CE1 4.13Å; V190-Y192 HydrophobicContact CG1-CE2 4.15Å
191N77.8Confident64.6Low151 Ų151138.1 Ų138.181%0.80768%0.683SS**PPolyproline II helixtrans-90.6120.1175.5-162.57000110.3I189I189-N191 PolarHBondContact O-N 3.04Å
192Y76.4Confident63.4Low80 Ų80135.3 Ų135.331%0.31468%0.68SS.*PPolyproline II helixtrans-94.4121.3179.7-62.6-86.2000110R179 V190 V194R179-Y192 HydrophobicContact CB-CD2 4.36Å; R179-Y192 HydrophobicContact CB-CE2 4.33Å; R179-Y192 HydrophobicContact CG-CD2 4.06Å; R179-Y192 HydrophobicContact CG-CE2 4.38Å; R179-Y192 HydrophobicContact CG-CG 4.24Å; V190-Y192 HydrophobicContact CB-CE2 4.35Å; V190-Y192 HydrophobicContact CG1-CE1 4.13Å; V190-Y192 HydrophobicContact CG1-CE2 4.15Å; Y192-V194 PolarHBondContact O-N 3.37Å
193P68.5Low62Low117 Ų117135.5 Ų135.576%0.7669%0.688SS**PPolyproline II helixtrans-66.2124177.125.6-31.5000110.5
194V67Low60.3Low101 Ų101137.9 Ų137.961%0.61271%0.713SS**  trans-91.2111176.1179.20000108.6Y192Y192-V194 PolarHBondContact O-N 3.37Å
195N47.9Very low58.4Low147 Ų147140.9 Ų140.979%0.78673%0.731SS**  trans-78129169.5-71.9-40.7000109.6S197N195-S197 PolarHBondContact O-N 2.97Å
196P48Very low57.2Low113 Ų113137.2 Ų137.273%0.73474%0.735SS**  trans-69.1120.517925.9-31.8000111K198P196-K198 PolarHBondContact O-N 3.3Å; P196-K198 VanDerWaalsContact O-N 3.15Å
197S43.4Very low55.2Low114 Ų114134 Ų13480%0.79773%0.731SS**  trans-60.7108.9175.1-177.20000110.9N195 R199N195-S197 PolarHBondContact O-N 2.97Å; S197-R199 PolarHBondContact O-N 2.9Å; S197-R199 VanDerWaalsContact O-N 3.17Å
198K41.6Very low53.5Low212 Ų212136.6 Ų136.692%0.92274%0.741SS**  trans-78.592170.9-69-178.1-178.1177.10109.5P196P196-K198 PolarHBondContact O-N 3.3Å; P196-K198 VanDerWaalsContact O-N 3.15Å
199R48.6Very low51.9Low228 Ų228138.6 Ų138.686%0.8675%0.751SS**  trans-103.8123.2162.8-159.7178.2-164151.83.8107.6S197S197-R199 PolarHBondContact O-N 2.9Å; S197-R199 VanDerWaalsContact O-N 3.17Å
200T36.5Very low50.1Low131 Ų131145 Ų14580%0.80477%0.769SS**  trans167.8111.3141-64.20000110.4
201R43.1Very low48.7Very low246 Ų246148.8 Ų148.893%0.92879%0.794SS**  trans-137.3134.7145-89.9-168.6-179.3177.71.3108.3
202P41.9Very low47Very low113 Ų113149.6 Ų149.673%0.73480%0.797SS**PPolyproline II helixtrans-85.4167-179.235.4-33.3000112.2
203P45.9Very low45.4Very low129 Ų129150.1 Ų150.184%0.83881%0.812SS**PPolyproline II helixtrans-86.2134.1-172.834-30.7000111.5
204A38.8Very low44.1Very low104 Ų104151.5 Ų151.586%0.8681%0.813SS**PPolyproline II helixtrans-103.6124.8168.200000110
205K44.9Very low42.6Very low218 Ų218153.4 Ų153.495%0.94883%0.825SS**PPolyproline II helixtrans-76.4151.5171.3-75.7178.9169.9-177.90111.1
206G39.2Very low42.4Very low73 Ų73152 Ų15275%0.75383%0.827SS**  trans150.184.1165.200000109.4
207E34.9Very low42.3Very low193 Ų193154.2 Ų154.290%0.90283%0.832SS**  73.999.486.5-164.2159.8-15200114.3
208S41.2Very low42.5Very low105 Ų105156.5 Ų156.573%0.73483%0.834SS**  trans48.8112.7141-160.70000120.1
209Q41.6Very low42.4Very low196 Ų196152.3 Ų152.392%0.91683%0.832SS**  -163.7149.4117.8-103.4175.831.400112.2
210R46.5Very low42.5Very low231 Ų231147.9 Ų147.987%0.87283%0.825SS**  trans-65.6164.4-166.1-96.7-177.4175.295.6-2.5115.6
211P49.8Very low42.6Very low123 Ų123148.4 Ų148.480%0.79982%0.823SS**  trans-82132.717933.6-30.4000111.2
212I42.1Very low42.5Very low168 Ų168142.1 Ų142.186%0.86282%0.815SS**  trans-127.6133.3164.5-59.1175.4000108.6
213S42.7Very low42.9Very low91 Ų91147 Ų14764%0.63682%0.821SS**  trans-87.9145.6-16347.20000114.7
214N40.3Very low42.7Very low145 Ų145147 Ų14778%0.77581%0.813SS**  trans73.1141141.8-61.1-36.6000121.5
215T36.8Very low43.6Very low141 Ų141149.5 Ų149.587%0.86581%0.811SS**  trans89.592.2156.171.30000118.6
216S42.6Very low44Very low118 Ų118146.2 Ų146.283%0.82580%0.804SS**  trans-155.4104.5131.3-166.50000109.1
217L45.9Very low44.2Very low160 Ų160149 Ų14984%0.83880%0.802SS**  trans-75.4137.9165.4-75171000107.7
218L48Very low45.2Very low162 Ų162145.6 Ų145.685%0.84880%0.796SS**  trans75.984.3165.3-45.4177000116
219S40.1Very low45.5Very low124 Ų124144.5 Ų144.587%0.86779%0.788SS**  trans-131.987.8140-165.10000107.3
220N48.9Very low46.1Very low135 Ų135142 Ų14272%0.72278%0.781SS**  trans-73.2116.1160.2-155.238.5000104.8
221D39.9Very low46.5Very low142 Ų142135.2 Ų135.276%0.75977%0.769SS**  trans166.180.7153.4-80-21.7000110.1
222C40.3Very low47Very low113 Ų113133.6 Ų133.676%0.76476%0.757SS**  trans-160.394.1142.9-157.30000107.8D224C222-D224 PolarHBondContact O-N 3.5Å
223Y49.8Very low48.9Very low217 Ų217129 Ų12985%0.85173%0.734SS**  trans-67.381.9158.7-76.3-90000107.2L225Y223-L225 PolarHBondContact O-N 2.92Å
224D42.7Very low51.1Low127 Ų127129.5 Ų129.568%0.67973%0.733SS**  trans-84.596.1166.2-159.214.7000107.2C222 D226C222-D224 PolarHBondContact O-N 3.5Å; D224-D226 PolarHBondContact O-N 3.24Å
225L57.5Low53.4Low157 Ų157127.4 Ų127.482%0.82272%0.722SS**SBendtrans-66.774.8168.4-85.8158.1000108.4Y223Y223-L225 PolarHBondContact O-N 2.92Å
226D53Low56Low149 Ų149123.9 Ų123.980%0.79770%0.702SS**  trans-178.155.4162.5-92-29.5000112.7D224D224-D226 PolarHBondContact O-N 3.24Å
227D44.1Very low58.3Low132 Ų132122.1 Ų122.171%0.70668%0.684SS**  trans-115.1102.8159.3-170.924.2000109.8C229D227-C229 PolarHBondContact O-N 3.47Å; D227-C229 VanDerWaalsContact OD2-CB 3.27Å; D227-C229 WeakPolarHBondContact OD2-CB 3.3Å
228P55.5Low60.5Low121 Ų121118.4 Ų118.479%0.78666%0.664SS**  trans-77.358.4169.135.7-33.5000108.8D230P228-D230 PolarHBondContact O-N 3.35Å
229C48.6Very low62.5Low83 Ų83114.2 Ų114.256%0.56165%0.645SS**  trans-82.559.9164.4-161.80000108.7D227 S231D227-C229 PolarHBondContact O-N 3.47Å; D227-C229 VanDerWaalsContact OD2-CB 3.27Å; D227-C229 WeakPolarHBondContact OD2-CB 3.3Å; C229-S231 PolarHBondContact O-N 3.33Å
230D53Low64.9Low144 Ų144114.9 Ų114.977%0.7763%0.632SS**  trans-71.230.9156.3-153.319.4000109.9P228 T232P228-D230 PolarHBondContact O-N 3.35Å; D230-T232 PolarHBondContact O-N 3.23Å
231S54.3Low66.9Low87 Ų87113.2 Ų113.261%0.60862%0.619SS**  trans-85.657.4163.9174.80000107.5C229 D233C229-S231 PolarHBondContact O-N 3.33Å; S231-D233 PolarHBondContact O-N 3.03Å
232T61.7Low69.2Low89 Ų89111.4 Ų111.455%0.54661%0.608SS.*  trans-51.1107.6143.131.40000105.7D230 V234D230-T232 PolarHBondContact O-N 3.23Å; T232-V234 PolarHBondContact O-N 3.42Å
233D81.3Confident71.2Confident73 Ų73111.3 Ų111.339%0.3960%0.599SS.*  trans-41129.1179157.548.7000109.3S231 D235 S236 L237S231-D233 PolarHBondContact O-N 3.03Å; D233-D235 PolarHBondContact O-N 3.19Å; D233-D235 VanDerWaalsContact O-N 3.12Å; D233-D235 PolarHBondContact OD1-N 2.89Å; D233-D235 WeakPolarHBondContact OD2-CB 3.26Å; D233-S236 CarbonylContact O-C 3.59Å; D233-S236 WeakPolarHBondContact O-CA 3.42Å; D233-S236 VanDerWaalsContact O-CB 3.26Å; D233-S236 WeakPolarHBondContact O-CB 3.34Å; D233-S236 PolarHBondContact O-N 2.96Å; D233-S236 PolarHBondContact OD2-N 2.81Å; D233-S236 PolarHBondContact OD2-OG 3.19Å; D233-L237 PolarHBondContact O-N 3.09Å
234V89.3Confident72.9Confident100 Ų100105.6 Ų105.661%0.60658%0.581SS**Hα-helixtrans-56.2-34.4-174.6175.50000109.6T232 L237 I238T232-V234 PolarHBondContact O-N 3.42Å; V234-L237 PolarHBondContact O-N 3.33Å; V234-I238 HydrophobicContact CG1-CD1 3.75Å; V234-I238 HydrophobicContact CG1-CG1 4.29Å; V234-I238 WeakPolarHBondContact O-CB 3.46Å; V234-I238 WeakPolarHBondContact O-CD1 3.22Å; V234-I238 WeakPolarHBondContact O-CG1 3.41Å; V234-I238 PolarHBondContact O-N 2.94Å
235D87.6Confident74.6Confident102 Ų102104.6 Ų104.655%0.54558%0.575SS.*Hα-helixtrans-70.7-34.2177.1-66.3-28.3000112.4D233 I238 T239D233-D235 PolarHBondContact O-N 3.19Å; D233-D235 VanDerWaalsContact O-N 3.12Å; D233-D235 PolarHBondContact OD1-N 2.89Å; D233-D235 WeakPolarHBondContact OD2-CB 3.26Å; D235-I238 PolarHBondContact O-N 2.85Å; D235-T239 VanDerWaalsContact O-CB 3.24Å; D235-T239 WeakPolarHBondContact O-CB 3.16Å; D235-T239 PolarHBondContact O-N 2.88Å; D235-T239 PolarHBondContact O-OG1 2.97Å
236S91.4Very high75.3Confident66 Ų66104.1 Ų104.146%0.46256%0.563SS.*Hα-helixtrans-66-38.8170.3-62.20000112D233 K240D233-S236 CarbonylContact O-C 3.59Å; D233-S236 WeakPolarHBondContact O-CA 3.42Å; D233-S236 VanDerWaalsContact O-CB 3.26Å; D233-S236 WeakPolarHBondContact O-CB 3.34Å; D233-S236 PolarHBondContact O-N 2.96Å; D233-S236 PolarHBondContact OD2-N 2.81Å; D233-S236 PolarHBondContact OD2-OG 3.19Å; S236-K240 WeakPolarHBondContact O-CB 3.4Å; S236-K240 PolarHBondContact O-N 2.95Å
237L91.9Very high76.2Confident82 Ų8299.5 Ų99.543%0.42955%0.546SS..Hα-helixtrans-69.4-41.4174.3-17661.8000111.8D233 V234 K240 K241D233-L237 PolarHBondContact O-N 3.09Å; V234-L237 PolarHBondContact O-N 3.33Å; L237-K240 PolarHBondContact O-N 2.89Å; L237-K241 HydrophobicContact CD1-CG 4.45Å; L237-K241 WeakPolarHBondContact O-CB 3.04Å; L237-K241 VanDerWaalsContact O-CG 3.29Å; L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 2.83Å
238I91.8Very high77.5Confident81 Ų8198.9 Ų98.942%0.41554%0.537SS..Hα-helixtrans-61.1-49.7174.3-72.3164.5000109.7V234 D235 K240 K241 L242V234-I238 HydrophobicContact CG1-CD1 3.75Å; V234-I238 HydrophobicContact CG1-CG1 4.29Å; V234-I238 WeakPolarHBondContact O-CB 3.46Å; V234-I238 WeakPolarHBondContact O-CD1 3.22Å; V234-I238 WeakPolarHBondContact O-CG1 3.41Å; V234-I238 PolarHBondContact O-N 2.94Å; D235-I238 PolarHBondContact O-N 2.85Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.29Å; I238-K241 PolarHBondContact O-N 2.67Å; I238-K241 VanDerWaalsContact O-N 3.15Å; I238-L242 HydrophobicContact CG2-CD1 3.7Å; I238-L242 HydrophobicContact CG2-CG 4.19Å; I238-L242 WeakPolarHBondContact O-CB 3.22Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.13Å
239T89.6Confident78.1Confident75 Ų7599.3 Ų99.346%0.4653%0.528SS..Hα-helixtrans-59.8-47.2178.6-600000110.4D235 K241 L242 L243D235-T239 VanDerWaalsContact O-CB 3.24Å; D235-T239 WeakPolarHBondContact O-CB 3.16Å; D235-T239 PolarHBondContact O-N 2.88Å; D235-T239 PolarHBondContact O-OG1 2.97Å; T239-K241 VanDerWaalsContact C-N 3.32Å; T239-K241 PolarHBondContact O-N 3.22Å; T239-L242 PolarHBondContact O-N 2.85Å; T239-L243 HydrophobicContact CG2-CD1 3.81Å; T239-L243 WeakPolarHBondContact O-CB 3.26Å; T239-L243 WeakPolarHBondContact O-CD1 2.97Å; T239-L243 PolarHBondContact O-N 2.72Å
240K90.9Very high79.2Confident137 Ų137100.6 Ų100.660%0.59653%0.526SS*.Hα-helixtrans-56.7-45.4174.9-179.6177.9175.9176.30111.7S236 L237 I238 L243 E244S236-K240 WeakPolarHBondContact O-CB 3.4Å; S236-K240 PolarHBondContact O-N 2.95Å; L237-K240 PolarHBondContact O-N 2.89Å; I238-K240 VanDerWaalsContact C-N 3.34Å; I238-K240 PolarHBondContact O-N 3.29Å; K240-L243 PolarHBondContact O-N 3.28Å; K240-E244 VanDerWaalsContact O-CB 3.26Å; K240-E244 WeakPolarHBondContact O-CB 3.34Å; K240-E244 PolarHBondContact O-N 3.18Å
241K91.7Very high80Confident101 Ų10199.2 Ų99.244%0.43952%0.517SS..Hα-helixtrans-69.6-36.2179.8-75.2-73.5166.1-156.30113L237 I238 T239 E244 L245L237-K241 HydrophobicContact CD1-CG 4.45Å; L237-K241 WeakPolarHBondContact O-CB 3.04Å; L237-K241 VanDerWaalsContact O-CG 3.29Å; L237-K241 WeakPolarHBondContact O-CG 3.36Å; L237-K241 PolarHBondContact O-N 2.83Å; I238-K241 PolarHBondContact O-N 2.67Å; I238-K241 VanDerWaalsContact O-N 3.15Å; T239-K241 VanDerWaalsContact C-N 3.32Å; T239-K241 PolarHBondContact O-N 3.22Å; K241-E244 WeakPolarHBondContact CD-OE2 3.39Å; K241-E244 WeakPolarHBondContact CE-OE2 3.35Å; K241-E244 IonicContact NZ-OE1 3.38Å; K241-E244 PolarHBondContact NZ-OE1 3.06Å; K241-E244 IonicContact NZ-OE2 2.72Å; K241-E244 PolarHBondContact NZ-OE2 3.19Å; K241-E244 PolarHBondContact O-N 2.89Å; K241-L245 WeakPolarHBondContact O-CB 3.5Å; K241-L245 VanDerWaalsContact O-CG 3.26Å; K241-L245 WeakPolarHBondContact O-CG 3.31Å; K241-L245 PolarHBondContact O-N 2.88Å
242L87.4Confident80.9Confident104 Ų104100.1 Ų100.155%0.54551%0.512SS..Hα-helixtrans-67.2-41.1174-71.5173.1000111.5I238 T239 L245 Y246I238-L242 HydrophobicContact CG2-CD1 3.7Å; I238-L242 HydrophobicContact CG2-CG 4.19Å; I238-L242 WeakPolarHBondContact O-CB 3.22Å; I238-L242 VanDerWaalsContact O-CG 3.27Å; I238-L242 WeakPolarHBondContact O-CG 3.39Å; I238-L242 PolarHBondContact O-N 3.13Å; T239-L242 PolarHBondContact O-N 2.85Å; L242-L245 PolarHBondContact O-N 3.28Å; L242-Y246 VanDerWaalsContact O-CB 3.3Å; L242-Y246 WeakPolarHBondContact O-CB 3.24Å; L242-Y246 PolarHBondContact O-N 2.94Å
243L82.8Confident81.5Confident110 Ų11099.5 Ų99.558%0.57650%0.503SS*.Hα-helixtrans-66.8-40.1174.3-92.569.9000111.7T239 K240 Y246 A247T239-L243 HydrophobicContact CG2-CD1 3.81Å; T239-L243 WeakPolarHBondContact O-CB 3.26Å; T239-L243 WeakPolarHBondContact O-CD1 2.97Å; T239-L243 PolarHBondContact O-N 2.72Å; K240-L243 PolarHBondContact O-N 3.28Å; L243-Y246 PolarHBondContact O-N 3.4Å; L243-A247 WeakPolarHBondContact O-CB 3.24Å; L243-A247 PolarHBondContact O-N 2.94Å
244E85.3Confident81.1Confident97 Ų97101.5 Ų101.545%0.45351%0.513SS..Hα-helixtrans-62.6-44.9174.7-172.8179.7174.100111.2K240 K241 A247 F248K240-E244 VanDerWaalsContact O-CB 3.26Å; K240-E244 WeakPolarHBondContact O-CB 3.34Å; K240-E244 PolarHBondContact O-N 3.18Å; K241-E244 WeakPolarHBondContact CD-OE2 3.39Å; K241-E244 WeakPolarHBondContact CE-OE2 3.35Å; K241-E244 IonicContact NZ-OE1 3.38Å; K241-E244 PolarHBondContact NZ-OE1 3.06Å; K241-E244 IonicContact NZ-OE2 2.72Å; K241-E244 PolarHBondContact NZ-OE2 3.19Å; K241-E244 PolarHBondContact O-N 2.89Å; E244-A247 PolarHBondContact O-N 2.82Å; E244-F248 WeakPolarHBondContact O-CB 3.46Å; E244-F248 PolarHBondContact O-N 3.29Å
245L78.3Confident80.4Confident107 Ų10798.7 Ų98.756%0.5650%0.5SS*.Hα-helixtrans-62.2-42.2172.5-76.2170.5000112K241 L242 H249K241-L245 WeakPolarHBondContact O-CB 3.5Å; K241-L245 VanDerWaalsContact O-CG 3.26Å; K241-L245 WeakPolarHBondContact O-CG 3.31Å; K241-L245 PolarHBondContact O-N 2.88Å; L242-L245 PolarHBondContact O-N 3.28Å; L245-H249 WeakPolarHBondContact O-CB 3.31Å; L245-H249 PolarHBondContact O-N 2.68Å
246Y71.8Confident79.9Confident147 Ų147100.2 Ų100.258%0.57650%0.502SS*.Hα-helixtrans-63.9-45.7178.7177.6-100.8000112L242 L243 H249 Q250L242-Y246 VanDerWaalsContact O-CB 3.3Å; L242-Y246 WeakPolarHBondContact O-CB 3.24Å; L242-Y246 PolarHBondContact O-N 2.94Å; L243-Y246 PolarHBondContact O-N 3.4Å; Y246-H249 PolarHBondContact O-N 3.47Å; Y246-Q250 PolarHBondContact O-N 2.94Å
247A71.3Confident78.6Confident52 Ų52101 Ų10143%0.4351%0.507SS..Iπ-helixtrans-64.8-42.6177.700000112L243 E244L243-A247 WeakPolarHBondContact O-CB 3.24Å; L243-A247 PolarHBondContact O-N 2.94Å; E244-A247 PolarHBondContact O-N 2.82Å
248F72.2Confident77.6Confident119 Ų119100.8 Ų100.852%0.52251%0.509SS..Iπ-helixtrans-69.9-33.1178.8-171.9-102.4000112.8E244 E252E244-F248 WeakPolarHBondContact O-CB 3.46Å; E244-F248 PolarHBondContact O-N 3.29Å; F248-E252 WeakPolarHBondContact CD2-OE2 3.43Å; F248-E252 WeakPolarHBondContact CE2-OE2 3.25Å; F248-E252 WeakPolarHBondContact O-CB 3.21Å
249H68.3Low76.7Confident130 Ų130101.2 Ų101.260%0.60252%0.519SS*.Iπ-helixtrans-96.8-23.1-165.2-148.968.2000115.5L245 Y246 E253L245-H249 WeakPolarHBondContact O-CB 3.31Å; L245-H249 PolarHBondContact O-N 2.68Å; Y246-H249 PolarHBondContact O-N 3.47Å; H249-E253 WeakPolarHBondContact O-CB 3.39Å
250Q71.6Confident76.4Confident109 Ų109101.3 Ų101.351%0.50952%0.517SS..Iπ-helixtrans-106.7-48.7178.5-73.8-172.316.600113.1Y246 L254Y246-Q250 PolarHBondContact O-N 2.94Å; Q250-L254 WeakPolarHBondContact O-CB 3.36Å; Q250-L254 WeakPolarHBondContact O-CD1 3.47Å; Q250-L254 WeakPolarHBondContact O-CG 3.39Å; Q250-L254 PolarHBondContact O-N 3.21Å
251I68.9Low76Confident116 Ų11698.8 Ų98.860%0.59552%0.516SS*.Iπ-helixtrans-72.9-42.4-175.4-59.7175000110A255I251-A255 WeakPolarHBondContact O-CB 3.47Å; I251-A255 PolarHBondContact O-N 2.88Å
252E74.1Confident75.8Confident105 Ų10596.1 Ų96.149%0.49151%0.51SS..Hα-helixtrans-73.9-37.9-177.9-164.8161-171.700112.6F248 A255 K256F248-E252 WeakPolarHBondContact CD2-OE2 3.43Å; F248-E252 WeakPolarHBondContact CE2-OE2 3.25Å; F248-E252 WeakPolarHBondContact O-CB 3.21Å; E252-A255 PolarHBondContact O-N 3.36Å; E252-K256 VanDerWaalsContact O-CB 3.24Å; E252-K256 WeakPolarHBondContact O-CB 3.41Å; E252-K256 PolarHBondContact O-N 2.94Å
253E74.4Confident75.9Confident76 Ų7695.8 Ų95.836%0.35551%0.505SS..Hα-helixtrans-72-35.5174.7-72.8-72114.500111.9H249 K256 C257H249-E253 WeakPolarHBondContact O-CB 3.39Å; E253-K256 PolarHBondContact O-N 2.6Å; E253-K256 WeakPolarHBondContact OE1-CD 3.38Å; E253-K256 IonicContact OE1-NZ 3.1Å; E253-K256 PolarHBondContact OE1-NZ 2.87Å; E253-K256 VanDerWaalsContact OE1-NZ 3.1Å; E253-C257 WeakPolarHBondContact O-CB 3.44Å; E253-C257 PolarHBondContact O-N 2.95Å; E253-C257 PolarHBondContact O-SG 2.85Å
254L72.4Confident76.1Confident116 Ų11697.1 Ų97.161%0.60751%0.506SS*.Hα-helixtrans-64.2-43.9169.3-76.6171.4000111.4Q250 K256 C257 T258Q250-L254 WeakPolarHBondContact O-CB 3.36Å; Q250-L254 WeakPolarHBondContact O-CD1 3.47Å; Q250-L254 WeakPolarHBondContact O-CG 3.39Å; Q250-L254 PolarHBondContact O-N 3.21Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.18Å; L254-C257 PolarHBondContact O-N 3.35Å; L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 WeakPolarHBondContact O-CG2 3.37Å; L254-T258 PolarHBondContact O-N 3.4Å; L254-T258 PolarHBondContact O-OG1 3.4Å
255A75.2Confident76.5Confident41 Ų41100 Ų10034%0.33951%0.513SS..Hα-helixtrans-58.9-45.7174.600000109.8I251 E252 C257 T258 S259I251-A255 WeakPolarHBondContact O-CB 3.47Å; I251-A255 PolarHBondContact O-N 2.88Å; E252-A255 PolarHBondContact O-N 3.36Å; A255-C257 PolarHBondContact O-N 2.98Å; A255-T258 WeakPolarHBondContact CA-OG1 3.4Å; A255-T258 CarbonylContact O-C 3.5Å; A255-T258 PolarHBondContact O-N 3.13Å; A255-T258 VanDerWaalsContact O-N 3.13Å; A255-T258 PolarHBondContact O-OG1 2.89Å; A255-T258 VanDerWaalsContact O-OG1 3.08Å; A255-S259 WeakPolarHBondContact O-CA 3.46Å; A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 2.89Å; A255-S259 PolarHBondContact O-OG 3.47Å
256K76.6Confident77.2Confident133 Ų133100.9 Ų100.958%0.57851%0.512SS*.Hα-helixtrans-63.9-39.4179.1-170.3176.6176.8-174.20113.2E252 E253 L254 T258 D260E252-K256 VanDerWaalsContact O-CB 3.24Å; E252-K256 WeakPolarHBondContact O-CB 3.41Å; E252-K256 PolarHBondContact O-N 2.94Å; E253-K256 PolarHBondContact O-N 2.6Å; E253-K256 WeakPolarHBondContact OE1-CD 3.38Å; E253-K256 IonicContact OE1-NZ 3.1Å; E253-K256 PolarHBondContact OE1-NZ 2.87Å; E253-K256 VanDerWaalsContact OE1-NZ 3.1Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 3.18Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 3.14Å; K256-D260 PolarHBondContact O-N 3.48Å
257C63.3Low78.2Confident83 Ų8396.5 Ų96.556%0.56150%0.5SS*.Hα-helixtrans-69.7-24.5175.4-65.50000113.1E253 L254 A255E253-C257 WeakPolarHBondContact O-CB 3.44Å; E253-C257 PolarHBondContact O-N 2.95Å; E253-C257 PolarHBondContact O-SG 2.85Å; L254-C257 PolarHBondContact O-N 3.35Å; A255-C257 PolarHBondContact O-N 2.98Å
258T72.9Confident79.4Confident77 Ų7796.9 Ų96.947%0.47250%0.495SS..Hα-helixtrans-100-18.1178.854.20000113.8L254 A255 K256 F263L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 WeakPolarHBondContact O-CG2 3.37Å; L254-T258 PolarHBondContact O-N 3.4Å; L254-T258 PolarHBondContact O-OG1 3.4Å; A255-T258 WeakPolarHBondContact CA-OG1 3.4Å; A255-T258 CarbonylContact O-C 3.5Å; A255-T258 PolarHBondContact O-N 3.13Å; A255-T258 VanDerWaalsContact O-N 3.13Å; A255-T258 PolarHBondContact O-OG1 2.89Å; A255-T258 VanDerWaalsContact O-OG1 3.08Å; K256-T258 VanDerWaalsContact C-N 3.28Å; K256-T258 PolarHBondContact O-N 3.14Å; T258-F263 HydrophobicContact CG2-CE1 4.33Å; T258-F263 WeakPolarHBondContact O-CD1 3.07Å
259S72.4Confident80.6Confident90 Ų9096.5 Ų96.563%0.62950%0.495SS*.Hα-helixtrans-89.8-8177.6-55.80000113.1A255 S261A255-S259 WeakPolarHBondContact O-CA 3.46Å; A255-S259 WeakPolarHBondContact O-CB 3.46Å; A255-S259 PolarHBondContact O-N 2.89Å; A255-S259 PolarHBondContact O-OG 3.47Å; S259-S261 PolarHBondContact O-N 2.94Å
260D82.4Confident81.9Confident77 Ų7794.5 Ų94.541%0.41249%0.488SS..  trans-59.1124.4173.5-176.61.4000108.9K256 S262 F263 F264K256-D260 PolarHBondContact O-N 3.48Å; D260-S262 PolarHBondContact O-N 3.41Å; D260-S262 PolarHBondContact OD1-N 3.35Å; D260-S262 WeakPolarHBondContact OD2-CB 3.49Å; D260-S262 PolarHBondContact OD2-OG 3.43Å; D260-F263 HydrophobicContact CB-CB 4.31Å; D260-F263 WeakPolarHBondContact O-CA 3.23Å; D260-F263 WeakPolarHBondContact O-CB 3.17Å; D260-F263 PolarHBondContact O-N 3.11Å; D260-F264 PolarHBondContact O-N 2.93Å; D260-F264 VanDerWaalsContact O-N 3.14Å
261S83.2Confident83.1Confident84 Ų8491.4 Ų91.459%0.58748%0.478SS*.Hα-helixtrans-51.1-27.5173.367.40000112.7S259 R265S259-S261 PolarHBondContact O-N 2.94Å; S261-R265 WeakPolarHBondContact O-CB 3.43Å; S261-R265 PolarHBondContact O-N 3.27Å
262S87.1Confident84.5Confident45 Ų4590.3 Ų90.332%0.31547%0.474SS..Hα-helixtrans-72.4-37.9175.892.10000112.6D260 K266D260-S262 PolarHBondContact O-N 3.41Å; D260-S262 PolarHBondContact OD1-N 3.35Å; D260-S262 WeakPolarHBondContact OD2-CB 3.49Å; D260-S262 PolarHBondContact OD2-OG 3.43Å; S262-K266 WeakPolarHBondContact O-CB 3.28Å; S262-K266 VanDerWaalsContact O-CG 3.26Å; S262-K266 WeakPolarHBondContact O-CG 3.4Å; S262-K266 PolarHBondContact O-N 3.18Å
263F89.9Confident85.6Confident98 Ų9889.1 Ų89.143%0.4347%0.47SS..Hα-helixtrans-64.7-52.1175.4178.8-96.3000109.7T258 D260 R265 K266 T267T258-F263 HydrophobicContact CG2-CE1 4.33Å; T258-F263 WeakPolarHBondContact O-CD1 3.07Å; D260-F263 HydrophobicContact CB-CB 4.31Å; D260-F263 WeakPolarHBondContact O-CA 3.23Å; D260-F263 WeakPolarHBondContact O-CB 3.17Å; D260-F263 PolarHBondContact O-N 3.11Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 2.92Å; F263-K266 PolarHBondContact O-N 3.01Å; F263-T267 WeakPolarHBondContact O-CB 3.34Å; F263-T267 PolarHBondContact O-N 3.42Å; F263-T267 PolarHBondContact O-OG1 2.98Å
264F87.2Confident86.8Confident137 Ų13786.3 Ų86.360%0.60146%0.457SS*.Hα-helixtrans-58-46178.1-176.9-106.4000112.1D260 K266 T267 N268D260-F264 PolarHBondContact O-N 2.93Å; D260-F264 VanDerWaalsContact O-N 3.14Å; F264-K266 PolarHBondContact O-N 3.31Å; F264-T267 PolarHBondContact O-N 3.12Å; F264-N268 WeakPolarHBondContact CD1-ND2 3.47Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.39Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.24Å; F264-N268 PolarHBondContact O-N 2.9Å; F264-N268 PolarHBondContact O-ND2 3.45Å
265R92.4Very high88Confident159 Ų15985.9 Ų85.960%0.645%0.449SS*.Hα-helixtrans-59.7-47.9177.7-172.7-171.2-57.9-105.5-2.8111.8S261 F263 N268 E269S261-R265 WeakPolarHBondContact O-CB 3.43Å; S261-R265 PolarHBondContact O-N 3.27Å; F263-R265 VanDerWaalsContact C-N 3.34Å; F263-R265 PolarHBondContact O-N 2.92Å; R265-N268 PolarHBondContact O-N 3.39Å; R265-E269 WeakPolarHBondContact CG-OE1 3.17Å; R265-E269 WeakPolarHBondContact O-CG 3.48Å; R265-E269 PolarHBondContact O-N 2.57Å
266K94.1Very high89.1Confident125 Ų12588.2 Ų88.254%0.54346%0.456SS..Hα-helixtrans-66.7-39.9179.9-75176.3179.6174.80112.4S262 F263 F264 N268 E269 I270S262-K266 WeakPolarHBondContact O-CB 3.28Å; S262-K266 VanDerWaalsContact O-CG 3.26Å; S262-K266 WeakPolarHBondContact O-CG 3.4Å; S262-K266 PolarHBondContact O-N 3.18Å; F263-K266 PolarHBondContact O-N 3.01Å; F264-K266 PolarHBondContact O-N 3.31Å; K266-N268 VanDerWaalsContact C-N 3.32Å; K266-N268 PolarHBondContact O-N 3.27Å; K266-E269 PolarHBondContact O-N 3.08Å; K266-I270 WeakPolarHBondContact O-CD1 3.45Å; K266-I270 WeakPolarHBondContact O-CG1 3.34Å; K266-I270 PolarHBondContact O-N 3.36Å
267T93.4Very high90.1Very high54 Ų5483.7 Ų83.733%0.33144%0.437SS..Hα-helixtrans-61.3-43.8175.8-60.40000110.3F263 F264 I270 S271F263-T267 WeakPolarHBondContact O-CB 3.34Å; F263-T267 PolarHBondContact O-N 3.42Å; F263-T267 PolarHBondContact O-OG1 2.98Å; F264-T267 PolarHBondContact O-N 3.12Å; T267-I270 PolarHBondContact O-N 2.75Å; T267-S271 PolarHBondContact O-N 2.91Å; T267-S271 PolarHBondContact O-OG 2.68Å
268N94.9Very high91.8Very high60 Ų6080 Ų8032%0.32141%0.413SS..Hα-helixtrans-65.1-42.1175.1-65.9-13.3000112.4F264 R265 K266 I270 S271 D272F264-N268 WeakPolarHBondContact CD1-ND2 3.47Å; F264-N268 WeakPolarHBondContact CE1-ND2 3.39Å; F264-N268 WeakPolarHBondContact CZ-ND2 3.24Å; F264-N268 PolarHBondContact O-N 2.9Å; F264-N268 PolarHBondContact O-ND2 3.45Å; R265-N268 PolarHBondContact O-N 3.39Å; K266-N268 VanDerWaalsContact C-N 3.32Å; K266-N268 PolarHBondContact O-N 3.27Å; N268-I270 PolarHBondContact O-N 3.01Å; N268-S271 PolarHBondContact O-N 3.42Å; N268-D272 WeakPolarHBondContact O-CB 3.35Å; N268-D272 PolarHBondContact O-N 3.34Å
269E97Very high92.9Very high111 Ų11183.5 Ų83.552%0.51942%0.424SS..Hα-helixtrans-59.3-36.8174.8-75171.1-162.400111.8R265 K266 L273R265-E269 WeakPolarHBondContact CG-OE1 3.17Å; R265-E269 WeakPolarHBondContact O-CG 3.48Å; R265-E269 PolarHBondContact O-N 2.57Å; K266-E269 PolarHBondContact O-N 3.08Å; E269-L273 WeakPolarHBondContact O-CB 3.47Å; E269-L273 PolarHBondContact O-N 3.13Å
270I96.6Very high94.2Very high89 Ų8984.9 Ų84.946%0.45642%0.424SS..Hα-helixtrans-69.9-45.2175.3-67.9163000110.6K266 T267 N268 L273 I274 L292K266-I270 WeakPolarHBondContact O-CD1 3.45Å; K266-I270 WeakPolarHBondContact O-CG1 3.34Å; K266-I270 PolarHBondContact O-N 3.36Å; T267-I270 PolarHBondContact O-N 2.75Å; N268-I270 PolarHBondContact O-N 3.01Å; I270-L273 WeakPolarHBondContact O-CB 3.2Å; I270-L273 PolarHBondContact O-N 2.75Å; I270-I274 HydrophobicContact CG2-CD1 4Å; I270-I274 WeakPolarHBondContact O-CG1 3.14Å; I270-I274 PolarHBondContact O-N 2.89Å; I270-L292 HydrophobicContact CG2-CD2 4.48Å
271S96.9Very high94.8Very high43 Ų4389.4 Ų89.430%0.30144%0.437SS..Hα-helixtrans-58.8-47.8175.4-64.90000111.3T267 N268 L273 I274 Y275T267-S271 PolarHBondContact O-N 2.91Å; T267-S271 PolarHBondContact O-OG 2.68Å; N268-S271 PolarHBondContact O-N 3.42Å; S271-L273 VanDerWaalsContact C-N 3.28Å; S271-L273 PolarHBondContact O-N 3.38Å; S271-I274 WeakPolarHBondContact O-CB 3.35Å; S271-I274 PolarHBondContact O-N 3.14Å; S271-I274 VanDerWaalsContact O-N 3.09Å; S271-Y275 WeakPolarHBondContact O-CD2 3.33Å; S271-Y275 PolarHBondContact O-N 2.92Å
272D98Very high95.5Very high93 Ų9392.5 Ų92.550%0.49745%0.447SS..Hα-helixtrans-59.1-39.3175.6-73.2-18.3000111.6N268 Y275 N276N268-D272 WeakPolarHBondContact O-CB 3.35Å; N268-D272 PolarHBondContact O-N 3.34Å; D272-Y275 PolarHBondContact O-N 3.05Å; D272-N276 WeakPolarHBondContact O-CB 3.06Å; D272-N276 VanDerWaalsContact O-CG 3.24Å; D272-N276 PolarHBondContact O-N 2.76Å; D272-N276 PolarHBondContact O-ND2 3.25Å
273L98.1Very high95.9Very high80 Ų8092.3 Ų92.342%0.41944%0.442SS..Hα-helixtrans-63.3-43.7174.5176.962.4000111.9E269 I270 S271 N276 I277 L292E269-L273 WeakPolarHBondContact O-CB 3.47Å; E269-L273 PolarHBondContact O-N 3.13Å; I270-L273 WeakPolarHBondContact O-CB 3.2Å; I270-L273 PolarHBondContact O-N 2.75Å; S271-L273 VanDerWaalsContact C-N 3.28Å; S271-L273 PolarHBondContact O-N 3.38Å; L273-N276 PolarHBondContact O-N 2.95Å; L273-I277 HydrophobicContact CD1-CD1 3.97Å; L273-I277 HydrophobicContact CD1-CG1 4.26Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 VanDerWaalsContact O-CG1 3.29Å; L273-I277 WeakPolarHBondContact O-CG1 3.36Å; L273-I277 PolarHBondContact O-N 2.79Å; L273-L292 HydrophobicContact CD2-CD1 3.92Å; L273-L292 HydrophobicContact CD2-CD2 4.01Å; L273-L292 HydrophobicContact CG-CD2 4.37Å
274I98.1Very high96.3Very high17 Ų1794.6 Ų94.69%0.08745%0.454CS..Hα-helixtrans-62-47.7176.9-67.1165000109.9I270 S271 N276 I277 A278 E285 A288 E289 L292I270-I274 HydrophobicContact CG2-CD1 4Å; I270-I274 WeakPolarHBondContact O-CG1 3.14Å; I270-I274 PolarHBondContact O-N 2.89Å; S271-I274 WeakPolarHBondContact O-CB 3.35Å; S271-I274 PolarHBondContact O-N 3.14Å; S271-I274 VanDerWaalsContact O-N 3.09Å; I274-N276 VanDerWaalsContact C-N 3.35Å; I274-N276 PolarHBondContact O-N 3.29Å; I274-I277 PolarHBondContact O-N 3.39Å; I274-A278 WeakPolarHBondContact O-CB 3.37Å; I274-A278 PolarHBondContact O-N 3.1Å; I274-E285 HydrophobicContact CG2-CG 4.01Å; I274-A288 HydrophobicContact CG2-CB 4.11Å; I274-E289 HydrophobicContact CD1-CB 4.2Å; I274-E289 HydrophobicContact CD1-CG 4.04Å; I274-E289 HydrophobicContact CG2-CB 4.33Å; I274-L292 HydrophobicContact CD1-CD2 4.29Å; I274-L292 HydrophobicContact CG1-CD2 3.66Å
275Y98Very high96.8Very high107 Ų10792.6 Ų92.642%0.4245%0.446SS..Hα-helixtrans-58.3-45.9176-72.8-58.6000111.9S271 D272 I277 A278 Q279 E285S271-Y275 WeakPolarHBondContact O-CD2 3.33Å; S271-Y275 PolarHBondContact O-N 2.92Å; D272-Y275 PolarHBondContact O-N 3.05Å; Y275-I277 PolarHBondContact O-N 2.81Å; Y275-A278 PolarHBondContact O-N 3.15Å; Y275-Q279 WeakPolarHBondContact O-CB 3.09Å; Y275-Q279 VanDerWaalsContact O-CG 3.27Å; Y275-Q279 WeakPolarHBondContact O-CG 3.15Å; Y275-Q279 PolarHBondContact O-N 3.15Å; Y275-E285 HydrophobicContact CE1-CG 4.41Å; Y275-E285 WeakPolarHBondContact CE1-OE1 3.47Å; Y275-E285 VanDerWaalsContact CZ-OE1 3.28Å; Y275-E285 PolarHBondContact OH-OE1 3.37Å
276N98.3Very high97Very high91 Ų9190.6 Ų90.649%0.48744%0.444SS..Hα-helixtrans-61.7-42177.6-76.9-51000112D272 L273 I274 N280D272-N276 WeakPolarHBondContact O-CB 3.06Å; D272-N276 VanDerWaalsContact O-CG 3.24Å; D272-N276 PolarHBondContact O-N 2.76Å; D272-N276 PolarHBondContact O-ND2 3.25Å; L273-N276 PolarHBondContact O-N 2.95Å; I274-N276 VanDerWaalsContact C-N 3.35Å; I274-N276 PolarHBondContact O-N 3.29Å; N276-N280 WeakPolarHBondContact O-CB 3.13Å; N276-N280 PolarHBondContact O-N 3.45Å; N276-N280 PolarHBondContact O-ND2 3.29Å
277I97.8Very high97.2Very high37 Ų3788.7 Ų88.719%0.1944%0.437CS..Hα-helixtrans-64.8-46.1176.1-68.5166.9000110.4L273 I274 Y275 Q279 N280 Y281 A288 L292L273-I277 HydrophobicContact CD1-CD1 3.97Å; L273-I277 HydrophobicContact CD1-CG1 4.26Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 VanDerWaalsContact O-CG1 3.29Å; L273-I277 WeakPolarHBondContact O-CG1 3.36Å; L273-I277 PolarHBondContact O-N 2.79Å; I274-I277 PolarHBondContact O-N 3.39Å; Y275-I277 PolarHBondContact O-N 2.81Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 2.99Å; I277-N280 PolarHBondContact O-N 3.23Å; I277-Y281 HydrophobicContact CG2-CD2 4.11Å; I277-Y281 WeakPolarHBondContact O-CB 3.11Å; I277-Y281 WeakPolarHBondContact O-CD2 3.26Å; I277-Y281 PolarHBondContact O-N 3.42Å; I277-Y281 VanDerWaalsContact O-N 3.08Å; I277-A288 HydrophobicContact CB-CB 4.29Å; I277-A288 HydrophobicContact CG2-CB 3.91Å; I277-L292 HydrophobicContact CD1-CD1 4.33Å
278A98.3Very high97.4Very high7 Ų786.1 Ų86.16%0.05842%0.421CS..Hα-helixtrans-57.4-47.3178.200000111.3I274 Y275 N282 L283 A288I274-A278 WeakPolarHBondContact O-CB 3.37Å; I274-A278 PolarHBondContact O-N 3.1Å; Y275-A278 PolarHBondContact O-N 3.15Å; A278-N282 CarbonylContact O-C 3.53Å; A278-N282 WeakPolarHBondContact O-CA 3.46Å; A278-N282 PolarHBondContact O-N 2.92Å; A278-L283 PolarHBondContact O-N 3.47Å; A278-A288 HydrophobicContact CB-CB 3.88Å
279Q97.8Very high97.6Very high149 Ų14986.9 Ų86.970%0.69642%0.423SS*.Hα-helixtrans-68.7-46.3178.8-66.9-60.5-26.800112.8Y275 I277 Y281 N282Y275-Q279 WeakPolarHBondContact O-CB 3.09Å; Y275-Q279 VanDerWaalsContact O-CG 3.27Å; Y275-Q279 WeakPolarHBondContact O-CG 3.15Å; Y275-Q279 PolarHBondContact O-N 3.15Å; I277-Q279 VanDerWaalsContact C-N 3.34Å; I277-Q279 PolarHBondContact O-N 2.99Å; Q279-Y281 PolarHBondContact O-N 3.42Å; Q279-N282 PolarHBondContact O-N 3.41Å
280N97.8Very high97.6Very high120 Ų12084.5 Ų84.564%0.64242%0.418SS*.Hα-helixtrans-65.7-28.9-176.3-71.7-27.8000113N276 I277N276-N280 WeakPolarHBondContact O-CB 3.13Å; N276-N280 PolarHBondContact O-N 3.45Å; N276-N280 PolarHBondContact O-ND2 3.29Å; I277-N280 PolarHBondContact O-N 3.23Å
281Y96.8Very high97.7Very high171 Ų17185.4 Ų85.467%0.67142%0.418SS*.Hα-helixtrans-113.35.6-177.5-64.7-80.6000113.4I277 Q279 L283I277-Y281 HydrophobicContact CG2-CD2 4.11Å; I277-Y281 WeakPolarHBondContact O-CB 3.11Å; I277-Y281 WeakPolarHBondContact O-CD2 3.26Å; I277-Y281 PolarHBondContact O-N 3.42Å; I277-Y281 VanDerWaalsContact O-N 3.08Å; Q279-Y281 PolarHBondContact O-N 3.42Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 2.98Å
282N96.8Very high97.7Very high150 Ų15085.2 Ų85.280%0.80241%0.414SS*.THydrogen-bonded Turntrans48.451.9-176.3-168.854.3000112.6A278 Q279A278-N282 CarbonylContact O-C 3.53Å; A278-N282 WeakPolarHBondContact O-CA 3.46Å; A278-N282 PolarHBondContact O-N 2.92Å; Q279-N282 PolarHBondContact O-N 3.41Å
283L96.8Very high97.7Very high41 Ų4184.1 Ų84.122%0.21541%0.41CS..  trans-106.4158.2179-55.3177.1000110.2A278 Y281 E287 K291A278-L283 PolarHBondContact O-N 3.47Å; Y281-L283 VanDerWaalsContact C-N 3.33Å; Y281-L283 PolarHBondContact O-N 2.98Å; L283-E287 HydrophobicContact CB-CB 4.44Å; L283-K291 HydrophobicContact CD1-CD 4.02Å
284E97.6Very high97.7Very high145 Ų14586.4 Ų86.468%0.67842%0.419SS*.  trans-66.1148.5165.6-172.8174.6178.600110.4Q286 E287 A288E284-Q286 VanDerWaalsContact C-N 3.28Å; E284-Q286 PolarHBondContact O-N 3.09Å; E284-E287 HydrophobicContact CB-CB 4.34Å; E284-E287 WeakPolarHBondContact O-CB 3.4Å; E284-E287 PolarHBondContact O-N 3.13Å; E284-A288 PolarHBondContact O-N 2.94Å
285E96.9Very high97.6Very high95 Ų9586.4 Ų86.444%0.44442%0.423SS..Hα-helixtrans-54.8-44.1179.9-173.7173.3-178.300111.7I274 Y275 E287 A288 E289I274-E285 HydrophobicContact CG2-CG 4.01Å; Y275-E285 HydrophobicContact CE1-CG 4.41Å; Y275-E285 WeakPolarHBondContact CE1-OE1 3.47Å; Y275-E285 VanDerWaalsContact CZ-OE1 3.28Å; Y275-E285 PolarHBondContact OH-OE1 3.37Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.47Å; E285-A288 PolarHBondContact O-N 3.49Å; E285-E289 WeakPolarHBondContact O-CB 3.42Å; E285-E289 PolarHBondContact O-N 2.88Å
286Q97.8Very high97.6Very high118 Ų11885.1 Ų85.155%0.55143%0.426SS*.Hα-helixtrans-64.7-34177.4-164.463.256.800112.7E284 E289 C290E284-Q286 VanDerWaalsContact C-N 3.28Å; E284-Q286 PolarHBondContact O-N 3.09Å; Q286-E289 PolarHBondContact NE2-OE2 3.3Å; Q286-C290 VanDerWaalsContact O-CB 3.23Å; Q286-C290 WeakPolarHBondContact O-CB 2.96Å; Q286-C290 PolarHBondContact O-N 2.86Å
287E97.8Very high97.5Very high84 Ų8485.1 Ų85.139%0.39343%0.425SS..Hα-helixtrans-72.6-40.4176.5-169.8-174167.200111.1L283 E284 E285 C290 K291L283-E287 HydrophobicContact CB-CB 4.44Å; E284-E287 HydrophobicContact CB-CB 4.34Å; E284-E287 WeakPolarHBondContact O-CB 3.4Å; E284-E287 PolarHBondContact O-N 3.13Å; E285-E287 VanDerWaalsContact C-N 3.31Å; E285-E287 PolarHBondContact O-N 3.47Å; E287-C290 PolarHBondContact O-N 3.04Å; E287-K291 HydrophobicContact CG-CD 4.5Å; E287-K291 WeakPolarHBondContact O-CB 3.26Å; E287-K291 WeakPolarHBondContact O-CG 3.37Å; E287-K291 PolarHBondContact O-N 3.3Å; E287-K291 WeakPolarHBondContact OE1-CE 3.36Å; E287-K291 IonicContact OE1-NZ 2.67Å; E287-K291 PolarHBondContact OE1-NZ 3.01Å
288A98.2Very high97.4Very high0 Ų092.1 Ų92.10%045%0.449CS..Hα-helixtrans-63.5-44.5175.200000111.6I274 I277 A278 E284 E285 K291 L292I274-A288 HydrophobicContact CG2-CB 4.11Å; I277-A288 HydrophobicContact CB-CB 4.29Å; I277-A288 HydrophobicContact CG2-CB 3.91Å; A278-A288 HydrophobicContact CB-CB 3.88Å; E284-A288 PolarHBondContact O-N 2.94Å; E285-A288 PolarHBondContact O-N 3.49Å; A288-K291 PolarHBondContact O-N 3.34Å; A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 PolarHBondContact O-N 2.93Å
289E97.9Very high97.2Very high77 Ų7795.8 Ų95.836%0.3647%0.467SS..Hα-helixtrans-58.6-51.1173.3-174-165.4170.100110.8I274 E285 Q286 K291 L292 V293I274-E289 HydrophobicContact CD1-CB 4.2Å; I274-E289 HydrophobicContact CD1-CG 4.04Å; I274-E289 HydrophobicContact CG2-CB 4.33Å; E285-E289 WeakPolarHBondContact O-CB 3.42Å; E285-E289 PolarHBondContact O-N 2.88Å; Q286-E289 PolarHBondContact NE2-OE2 3.3Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 3.45Å; E289-L292 WeakPolarHBondContact O-CB 3.44Å; E289-L292 PolarHBondContact O-N 3.21Å; E289-L292 VanDerWaalsContact O-N 3.11Å; E289-V293 HydrophobicContact CG-CG2 4.45Å; E289-V293 WeakPolarHBondContact O-CG2 3.29Å; E289-V293 PolarHBondContact O-N 3.38Å
290C97.7Very high96.9Very high61 Ų6192.9 Ų92.941%0.41246%0.463SS..Hα-helixtrans-57.8-45.4-179.9-1780000111.8Q286 E287 L292 V293 H294Q286-C290 VanDerWaalsContact O-CB 3.23Å; Q286-C290 WeakPolarHBondContact O-CB 2.96Å; Q286-C290 PolarHBondContact O-N 2.86Å; E287-C290 PolarHBondContact O-N 3.04Å; C290-L292 PolarHBondContact O-N 2.72Å; C290-V293 PolarHBondContact O-N 2.79Å; C290-H294 WeakPolarHBondContact O-CB 3.44Å; C290-H294 PolarHBondContact O-CD2 3.44Å; C290-H294 PolarHBondContact O-N 3.28Å
291K97.5Very high96.5Very high107 Ų10792 Ų9247%0.46546%0.462SS..Hα-helixtrans-65-37.9176.6-75.9-177.7-176.5169.40112.5L283 E287 A288 E289 G295L283-K291 HydrophobicContact CD1-CD 4.02Å; E287-K291 HydrophobicContact CG-CD 4.5Å; E287-K291 WeakPolarHBondContact O-CB 3.26Å; E287-K291 WeakPolarHBondContact O-CG 3.37Å; E287-K291 PolarHBondContact O-N 3.3Å; E287-K291 WeakPolarHBondContact OE1-CE 3.36Å; E287-K291 IonicContact OE1-NZ 2.67Å; E287-K291 PolarHBondContact OE1-NZ 3.01Å; A288-K291 PolarHBondContact O-N 3.34Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 3.45Å; K291-G295 PolarHBondContact O-N 2.87Å
292L97.5Very high96.1Very high39 Ų3991.5 Ų91.520%0.20446%0.459CS..Hα-helixtrans-63-50.3175.6178.961.2000110.6I270 L273 I274 I277 A288 E289 C290 H294 G295 V296I270-L292 HydrophobicContact CG2-CD2 4.48Å; L273-L292 HydrophobicContact CD2-CD1 3.92Å; L273-L292 HydrophobicContact CD2-CD2 4.01Å; L273-L292 HydrophobicContact CG-CD2 4.37Å; I274-L292 HydrophobicContact CD1-CD2 4.29Å; I274-L292 HydrophobicContact CG1-CD2 3.66Å; I277-L292 HydrophobicContact CD1-CD1 4.33Å; A288-L292 WeakPolarHBondContact O-CB 3.3Å; A288-L292 PolarHBondContact O-N 2.93Å; E289-L292 WeakPolarHBondContact O-CB 3.44Å; E289-L292 PolarHBondContact O-N 3.21Å; E289-L292 VanDerWaalsContact O-N 3.11Å; C290-L292 PolarHBondContact O-N 2.72Å; L292-H294 PolarHBondContact O-N 3.46Å; L292-G295 WeakPolarHBondContact O-CA 3.49Å; L292-G295 PolarHBondContact O-N 2.87Å; L292-G295 VanDerWaalsContact O-N 3.13Å; L292-V296 HydrophobicContact CD1-CG2 4.44Å; L292-V296 WeakPolarHBondContact O-CG2 3.41Å; L292-V296 PolarHBondContact O-N 2.87Å
293V98.1Very high95.4Very high70 Ų7094.1 Ų94.142%0.42446%0.463SS..Hα-helixtrans-58.7-48.7178.3172.70000111E289 C290 G295 V296 I297E289-V293 HydrophobicContact CG-CG2 4.45Å; E289-V293 WeakPolarHBondContact O-CG2 3.29Å; E289-V293 PolarHBondContact O-N 3.38Å; C290-V293 PolarHBondContact O-N 2.79Å; V293-G295 VanDerWaalsContact C-N 3.29Å; V293-G295 PolarHBondContact O-N 3.38Å; V293-V296 PolarHBondContact O-N 3.43Å; V293-I297 HydrophobicContact CG1-CD1 3.93Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 2.88Å
294H97.4Very high94.3Very high128 Ų12896.5 Ų96.559%0.59349%0.489SS*.Hα-helixtrans-60-39.8175.7-93.5-95.5000112.4C290 L292 I297 R298C290-H294 WeakPolarHBondContact O-CB 3.44Å; C290-H294 PolarHBondContact O-CD2 3.44Å; C290-H294 PolarHBondContact O-N 3.28Å; L292-H294 PolarHBondContact O-N 3.46Å; H294-I297 PolarHBondContact O-N 3.26Å; H294-R298 VanDerWaalsContact O-CB 3.31Å; H294-R298 WeakPolarHBondContact O-CB 3.44Å; H294-R298 PolarHBondContact O-N 3.18Å
295G97.3Very high93.1Very high18 Ų1899 Ų9919%0.18650%0.498CS..Hα-helixtrans-59.3-49.2174.500000112K291 L292 V293 R298 I299K291-G295 PolarHBondContact O-N 2.87Å; L292-G295 WeakPolarHBondContact O-CA 3.49Å; L292-G295 PolarHBondContact O-N 2.87Å; L292-G295 VanDerWaalsContact O-N 3.13Å; V293-G295 VanDerWaalsContact C-N 3.29Å; V293-G295 PolarHBondContact O-N 3.38Å; G295-R298 PolarHBondContact O-N 3.13Å; G295-I299 VanDerWaalsContact O-CB 3.3Å; G295-I299 WeakPolarHBondContact O-CB 3.16Å; G295-I299 WeakPolarHBondContact O-CG1 3.27Å; G295-I299 PolarHBondContact O-N 3.41Å
296V97Very high91.7Very high79 Ų79104 Ų10448%0.47952%0.518SS..Hα-helixtrans-60.5-47.2177.8172.20000110.8L292 V293 I299 S300L292-V296 HydrophobicContact CD1-CG2 4.44Å; L292-V296 WeakPolarHBondContact O-CG2 3.41Å; L292-V296 PolarHBondContact O-N 2.87Å; V293-V296 PolarHBondContact O-N 3.43Å; V296-I299 PolarHBondContact O-N 2.67Å; V296-S300 VanDerWaalsContact O-CB 3.25Å; V296-S300 WeakPolarHBondContact O-CB 3.42Å; V296-S300 PolarHBondContact O-N 3.33Å; V296-S300 PolarHBondContact O-OG 3.36Å
297I96.5Very high89.9Confident92 Ų92108 Ų10847%0.47253%0.534SS..Hα-helixtrans-60.1-50.6178.3-67.8168.5000110.3V293 H294 I299 S300 T301V293-I297 HydrophobicContact CG1-CD1 3.93Å; V293-I297 WeakPolarHBondContact O-CG1 3.3Å; V293-I297 PolarHBondContact O-N 2.88Å; H294-I297 PolarHBondContact O-N 3.26Å; I297-I299 VanDerWaalsContact C-N 3.27Å; I297-I299 PolarHBondContact O-N 2.82Å; I297-S300 PolarHBondContact O-N 3.04Å; I297-T301 HydrophobicContact CG2-CG2 4.09Å; I297-T301 WeakPolarHBondContact O-CB 3.41Å; I297-T301 VanDerWaalsContact O-CG2 3.28Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 2.96Å; I297-T301 PolarHBondContact O-OG1 3.4Å
298R95.8Very high87.7Confident184 Ų184108.5 Ų108.569%0.69455%0.552SS**Hα-helixtrans-59-38.6179.1-174.7178.465.9172.1-0.8112.3H294 G295 R302H294-R298 VanDerWaalsContact O-CB 3.31Å; H294-R298 WeakPolarHBondContact O-CB 3.44Å; H294-R298 PolarHBondContact O-N 3.18Å; G295-R298 PolarHBondContact O-N 3.13Å; R298-R302 WeakPolarHBondContact O-CB 3.2Å; R298-R302 PolarHBondContact O-N 3.29Å; R298-R302 VanDerWaalsContact O-N 3.13Å
299I94.4Very high85.4Confident83 Ų83112.9 Ų112.943%0.42658%0.583SS.*Hα-helixtrans-73.9-34.1179.3-72.3175.1000112.2G295 V296 I297 R302G295-I299 VanDerWaalsContact O-CB 3.3Å; G295-I299 WeakPolarHBondContact O-CB 3.16Å; G295-I299 WeakPolarHBondContact O-CG1 3.27Å; G295-I299 PolarHBondContact O-N 3.41Å; V296-I299 PolarHBondContact O-N 2.67Å; I297-I299 VanDerWaalsContact C-N 3.27Å; I297-I299 PolarHBondContact O-N 2.82Å; I299-R302 WeakPolarHBondContact O-CG 3.24Å; I299-R302 PolarHBondContact O-NE 3.26Å; I299-R302 VanDerWaalsContact O-NE 3.15Å
300S91.8Very high82.8Confident89 Ų89116.8 Ų116.862%0.62260%0.601SS**Hα-helixtrans-81.2-29.8-178.9-55.20000111.9V296 I297V296-S300 VanDerWaalsContact O-CB 3.25Å; V296-S300 WeakPolarHBondContact O-CB 3.42Å; V296-S300 PolarHBondContact O-N 3.33Å; V296-S300 PolarHBondContact O-OG 3.36Å; I297-S300 PolarHBondContact O-N 3.04Å
301T88.9Confident80.4Confident101 Ų101120.1 Ų120.162%0.6262%0.622SS**Hα-helixtrans-93.5-17.1-17857.10000113.8I297 K303I297-T301 HydrophobicContact CG2-CG2 4.09Å; I297-T301 WeakPolarHBondContact O-CB 3.41Å; I297-T301 VanDerWaalsContact O-CG2 3.28Å; I297-T301 WeakPolarHBondContact O-CG2 3.22Å; I297-T301 PolarHBondContact O-N 2.96Å; I297-T301 PolarHBondContact O-OG1 3.4Å; T301-K303 PolarHBondContact O-N 3.45Å
302R88.4Confident77.7Confident161 Ų161120 Ų12061%0.60863%0.634SS**SBendtrans-59.9125172.165.8-170.4179.1-166.64.4108.8R298 I299 A304R298-R302 WeakPolarHBondContact O-CB 3.2Å; R298-R302 PolarHBondContact O-N 3.29Å; R298-R302 VanDerWaalsContact O-N 3.13Å; I299-R302 WeakPolarHBondContact O-CG 3.24Å; I299-R302 PolarHBondContact O-NE 3.26Å; I299-R302 VanDerWaalsContact O-NE 3.15Å; R302-A304 PolarHBondContact O-N 3.15Å
303K82Confident75Confident204 Ų204124.8 Ų124.889%0.88767%0.666SS**  trans-61.1116.9168.5-73.1-156.8173.6-175.50107.8T301 K305T301-K303 PolarHBondContact O-N 3.45Å; K303-K305 PolarHBondContact O-N 3.47Å
304A73.6Confident72.5Confident92 Ų92124.9 Ų124.976%0.7668%0.681SS**  trans-61.999.5177.200000108.7R302 K306R302-A304 PolarHBondContact O-N 3.15Å; A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 2.8Å
305K73.2Confident69.7Low198 Ų198127.7 Ų127.786%0.86169%0.694SS**  trans-66.397169.1-170.3169.7-178.1173.30106.2K303 K307K303-K305 PolarHBondContact O-N 3.47Å; K305-K307 PolarHBondContact O-N 2.93Å
306K66.3Low67.3Low199 Ų199139.1 Ų139.187%0.86573%0.731SS**  trans-46.8118.4167.1-80.9-179.9175.7176.80106.2A304 A308A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 2.8Å; K306-A308 PolarHBondContact O-N 3.43Å
307K61.4Low64.6Low201 Ų201139.3 Ų139.387%0.87474%0.742SS**  trans-56.6112.7175.9-76-162.2175-172.60107.1K305 S309K305-K307 PolarHBondContact O-N 2.93Å; K307-S309 VanDerWaalsContact C-N 3.33Å; K307-S309 PolarHBondContact O-N 2.9Å
308A50Low62.2Low95 Ų95143.4 Ų143.479%0.78577%0.765SS**  trans-58.4108.7152.900000105.2K306K306-A308 PolarHBondContact O-N 3.43Å
309S50.6Low59.3Low92 Ų92137.3 Ų137.364%0.64376%0.759SS**  trans-55.3149.4162179.90000108.1K307K307-S309 VanDerWaalsContact C-N 3.33Å; K307-S309 PolarHBondContact O-N 2.9Å
310H43.3Very low57.2Low159 Ų159145.6 Ų145.674%0.73679%0.785SS**  trans98.1101.6-177-51.8-61.4000116.3S312H310-S312 PolarHBondContact O-N 2.75Å
311P46.6Very low55Low132 Ų132148.2 Ų148.286%0.85779%0.792SS**  trans-80.190.9146.932.5-23.5000107.3T313P311-T313 PolarHBondContact O-N 2.81Å
312S41.6Very low53.1Low103 Ų103152 Ų15272%0.7281%0.809SS**  trans-78.3108.9159.659.40000107.3H310H310-S312 PolarHBondContact O-N 2.75Å
313T40.8Very low51.2Low141 Ų141147.2 Ų147.287%0.86581%0.809SS**  trans5.1124.3146.5-43.60000115.3P311P311-T313 PolarHBondContact O-N 2.81Å
314G46.5Very low49.9Very low72 Ų72144.5 Ų144.574%0.74281%0.809SS**  trans-64.1161.8-159.400000117.2
315Q37Very low49Very low187 Ų187147.3 Ų147.387%0.87481%0.811SS**  trans-157.3116144.9-106.9-178.6300107.4
316R46.8Very low48Very low257 Ų257143.4 Ų143.497%0.9781%0.806SS**  trans-69.5121.9150.9-76.4-174.7177.2-172.4-0.4105.9
317A41.6Very low47.2Very low84 Ų84140.7 Ų140.769%0.69480%0.801SS**  trans-148.6121.9154.100000108.6G319A317-G319 PolarHBondContact O-N 2.97Å
318N45.2Very low46.9Very low178 Ų178134.6 Ų134.695%0.95278%0.784SS**  trans-41125.8165.5-131.4-13.5000110.8
319G36Very low47.3Very low56 Ų56133.3 Ų133.358%0.57778%0.78SS**  trans-147.4101.6176.300000109.6A317 N321A317-G319 PolarHBondContact O-N 2.97Å; G319-N321 PolarHBondContact O-OD1 3.16Å
320R49.3Very low47.5Very low257 Ų257135.1 Ų135.197%0.9778%0.782SS**  trans-65.2122.6160.5-82.2165.2132.1163.8-5.5107.6
321N45.8Very low48.1Very low144 Ų144134.9 Ų134.977%0.7778%0.781SS**  trans-143.298.6164.238.8-42.1000108.2G319 G323G319-N321 PolarHBondContact O-OD1 3.16Å; N321-G323 PolarHBondContact O-N 2.98Å
322D50.3Low48.7Very low181 Ų181135 Ų13597%0.96878%0.78SS**  trans-44.9119.1155.8-96.7-43.2000109.2
323G48.4Very low49.4Very low59 Ų59138.3 Ų138.361%0.60879%0.786SS**  trans-172.3100.1179.700000107.2N321 L325N321-G323 PolarHBondContact O-N 2.98Å; G323-L325 PolarHBondContact O-N 3.4Å; G323-L325 VanDerWaalsContact O-N 3.12Å
324T53.4Low49.9Very low147 Ų147137.1 Ų137.190%0.90278%0.779SS**  trans-38112.1-177.2-37.80000111.7
325L54.3Low50.1Low151 Ų151141.4 Ų141.479%0.79178%0.779SS**  trans-63.9139.9172-72.5162.6000108.8G323 D327G323-L325 PolarHBondContact O-N 3.4Å; G323-L325 VanDerWaalsContact O-N 3.12Å; L325-D327 PolarHBondContact O-N 3.3Å
326P52.6Low50.9Low116 Ų116138 Ų13875%0.75377%0.771SS**  trans-65.9109.7161.827.9-29.2000107S328P326-S328 PolarHBondContact O-N 3.27Å
327D50.7Low50.9Low142 Ų142135 Ų13576%0.75977%0.765SS**  trans-61.281167179.616.2000108.5L325 G329L325-D327 PolarHBondContact O-N 3.3Å; D327-G329 VanDerWaalsContact C-N 3.27Å; D327-G329 PolarHBondContact O-N 3.27Å; D327-G329 VanDerWaalsContact O-N 3.15Å
328S53.7Low51.4Low74 Ų74139.5 Ų139.552%0.51777%0.774SS.*  trans-80.781.8170.4161.70000106.5P326 N330P326-S328 PolarHBondContact O-N 3.27Å; S328-N330 VanDerWaalsContact C-N 3.32Å; S328-N330 PolarHBondContact O-N 2.67Å; S328-N330 PolarHBondContact O-OD1 3.21Å
329G58Low51.1Low68 Ų68136.1 Ų136.170%0.70177%0.765SS**  trans-55.584.1-179.500000114.3D327D327-G329 VanDerWaalsContact C-N 3.27Å; D327-G329 PolarHBondContact O-N 3.27Å; D327-G329 VanDerWaalsContact O-N 3.15Å
330N56.5Low51.7Low130 Ų130139.2 Ų139.270%0.69578%0.778SS**  trans-139.822.5173.367.68.7000113.9S328S328-N330 VanDerWaalsContact C-N 3.32Å; S328-N330 PolarHBondContact O-N 2.67Å; S328-N330 PolarHBondContact O-OD1 3.21Å
331E55.3Low51.8Low153 Ų153135 Ų13572%0.71578%0.775SS**  trans-111.118.4-176.851.6-162.914700115.2M333E331-M333 PolarHBondContact O-N 3.48Å
332T58.8Low52.2Low136 Ų136133 Ų13383%0.83477%0.771SS**SBendtrans-82.2110.316790000110.5
333M56.7Low52.7Low171 Ų171131 Ų13184%0.84277%0.766SS**SBendtrans100.451.5166.6-54.3-147.6-52.400119.5E331E331-M333 PolarHBondContact O-N 3.48Å
334T51.8Low53.2Low117 Ų117133 Ų13372%0.71877%0.768SS**SBendtrans-123.92.2158.851.40000116.1
335Q50.6Low53.9Low162 Ų162133.2 Ų133.276%0.75776%0.759SS**SBendtrans-122.374.4177.5-82.485-2.100111.8
336T52.9Low54.7Low114 Ų114132 Ų13270%0.69976%0.758SS**  trans-148.8-8.1163.7-34.50000115.9M338T336-M338 PolarHBondContact O-N 2.98Å
337F46.6Very low55.7Low194 Ų194133.6 Ų133.685%0.85175%0.753SS**SBendtrans-87.513.5-172.7-70.1-71.8000116.7
338M51.5Low56.9Low179 Ų179133.5 Ų133.588%0.88276%0.756SS**SBendtrans-129.643.4-175.2-66.3-78.6109.800114T336T336-M338 PolarHBondContact O-N 2.98Å
339S40.2Very low58.1Low108 Ų108135.6 Ų135.676%0.75577%0.771SS**  trans-153.8110.2159.3-76.80000110
340S48.3Very low59.4Low121 Ų121141 Ų14185%0.84678%0.778SS**  trans-69.4146.8164.7-52.90000109.7
341D51.4Low60.8Low169 Ų169139.6 Ų139.690%0.90477%0.768SS**SBendtrans84.643.3173.4-69.9-12.9000120.5
342S54.8Low62.4Low100 Ų100135.4 Ų135.470%0.69975%0.753SS**  trans-150118.5146.262.70000111.4P344S342-P344 WeakPolarHBondContact O-CD 3.38Å
343V60.9Low63.8Low141 Ų141134.3 Ų134.386%0.85575%0.748SS**  trans-54.3118.1167.4-179.90000107.6E345V343-E345 PolarHBondContact O-N 3.22Å; V343-E345 VanDerWaalsContact O-N 3.13Å
344P58.8Low65.1Low100 Ų100130.1 Ų130.165%0.64974%0.735SS**  trans-69.5115.5179.824.6-29000108.8S342 V346S342-P344 WeakPolarHBondContact O-CD 3.38Å; P344-V346 VanDerWaalsContact C-N 3.34Å; P344-V346 PolarHBondContact O-N 3.18Å
345E68.1Low67Low151 Ų151128.2 Ų128.271%0.70672%0.72SS**  trans-6695.5168.7-170.8-172.8177.200107.9V343 K347V343-E345 PolarHBondContact O-N 3.22Å; V343-E345 VanDerWaalsContact O-N 3.13Å; E345-K347 HydrophobicContact CG-CG 4.31Å; E345-K347 PolarHBondContact O-N 3.41Å; E345-K347 WeakPolarHBondContact OE1-CE 3.48Å; E345-K347 IonicContact OE1-NZ 3.5Å; E345-K347 WeakPolarHBondContact OE2-CE 3.39Å; E345-K347 IonicContact OE2-NZ 3.21Å; E345-K347 PolarHBondContact OE2-NZ 3.39Å
346V70Confident68.7Low127 Ų127126.2 Ų126.277%0.7771%0.711SS**  trans-70.998.7177.5178.90000108.3P344P344-V346 VanDerWaalsContact C-N 3.34Å; P344-V346 PolarHBondContact O-N 3.18Å
347K74.2Confident70.4Confident149 Ų149126 Ų12665%0.64871%0.705SS**  trans-87112.5170.3-65.6-176.6-177.4174.50108.8E345 S349E345-K347 HydrophobicContact CG-CG 4.31Å; E345-K347 PolarHBondContact O-N 3.41Å; E345-K347 WeakPolarHBondContact OE1-CE 3.48Å; E345-K347 IonicContact OE1-NZ 3.5Å; E345-K347 WeakPolarHBondContact OE2-CE 3.39Å; E345-K347 IonicContact OE2-NZ 3.21Å; E345-K347 PolarHBondContact OE2-NZ 3.39Å; K347-S349 PolarHBondContact O-N 3.27Å
348V76Confident72.2Confident139 Ų139119.4 Ų119.484%0.84269%0.687SS**PPolyproline II helixtrans-66.5126.2168.3-109.70000108.4
349S78.1Confident73.8Confident118 Ų118117 Ų11783%0.82567%0.668SS**PPolyproline II helixtrans-61.6146.8177.7-55.70000111.2K347K347-S349 PolarHBondContact O-N 3.27Å
350E86.8Confident75.8Confident182 Ų182120.3 Ų120.385%0.8567%0.668SS**PPolyproline II helixtrans-61.3140.4173.1-66.4-173.1172.700110.3T352E350-T352 PolarHBondContact O-N 2.98Å
351Q84.6Confident77.5Confident101 Ų101121.4 Ų121.447%0.47266%0.662SS.*PPolyproline II helixtrans-64.5121.8-177.4-172.1-150.7-58.400110.6D355Q351-D355 HydrophobicContact CG-CB 3.89Å
352T88.6Confident79Confident65 Ų65122.2 Ų122.240%0.39965%0.652SS.*PPolyproline II helixtrans-82.5160.2178.2700000111.7E350 S354 D355 E356E350-T352 PolarHBondContact O-N 2.98Å; T352-S354 PolarHBondContact O-N 2.87Å; T352-D355 WeakPolarHBondContact CB-OD2 3.47Å; T352-D355 PolarHBondContact N-OD2 2.73Å; T352-D355 WeakPolarHBondContact O-CB 3.48Å; T352-D355 PolarHBondContact O-N 2.86Å; T352-D355 PolarHBondContact OG1-N 3Å; T352-D355 PolarHBondContact OG1-OD2 3.26Å; T352-E356 PolarHBondContact O-N 3.2Å
353P87.9Confident79.4Confident113 Ų113122.9 Ų122.973%0.73466%0.655SS**Hα-helixtrans-58.2-27.7172.5-23.733.4000113.1E356 L357P353-E356 PolarHBondContact O-N 3Å; P353-L357 PolarHBondContact O-N 3.27Å; P353-L357 VanDerWaalsContact O-N 3.13Å
354S85.8Confident79.4Confident83 Ų83126.9 Ų126.958%0.5866%0.656SS**Hα-helixtrans-66.8-41174.5-1750000111.8T352 E356 L357 A358T352-S354 PolarHBondContact O-N 2.87Å; S354-E356 PolarHBondContact O-N 3.12Å; S354-L357 PolarHBondContact O-N 2.88Å; S354-A358 WeakPolarHBondContact O-CB 3.37Å; S354-A358 PolarHBondContact O-N 3.29Å
355D90.1Very high79.2Confident76 Ų76125 Ų12541%0.40665%0.654SS.*Hα-helixtrans-65.7-30.3177.3-56-44.4000111.8Q351 T352 R359Q351-D355 HydrophobicContact CG-CB 3.89Å; T352-D355 WeakPolarHBondContact CB-OD2 3.47Å; T352-D355 PolarHBondContact N-OD2 2.73Å; T352-D355 WeakPolarHBondContact O-CB 3.48Å; T352-D355 PolarHBondContact O-N 2.86Å; T352-D355 PolarHBondContact OG1-N 3Å; T352-D355 PolarHBondContact OG1-OD2 3.26Å; D355-R359 WeakPolarHBondContact O-CG 3.26Å; D355-R359 PolarHBondContact O-N 2.82Å; D355-R359 PolarHBondContact O-NE 2.89Å
356E88.1Confident78.6Confident120 Ų120123.3 Ų123.356%0.56166%0.659SS**Hα-helixtrans-70-46.3173.4-165161.1-178.800112.3T352 P353 S354 A358 R359 K360T352-E356 PolarHBondContact O-N 3.2Å; P353-E356 PolarHBondContact O-N 3Å; S354-E356 PolarHBondContact O-N 3.12Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.37Å; E356-R359 PolarHBondContact O-N 3.35Å; E356-K360 PolarHBondContact O-N 3.15Å
357L87.4Confident77.8Confident111 Ų111128.4 Ų128.458%0.58166%0.664SS**Hα-helixtrans-58.5-44.9175.5-176.867000111P353 S354 R359 K360 M361P353-L357 PolarHBondContact O-N 3.27Å; P353-L357 VanDerWaalsContact O-N 3.13Å; S354-L357 PolarHBondContact O-N 2.88Å; L357-R359 VanDerWaalsContact C-N 3.33Å; L357-R359 PolarHBondContact O-N 2.91Å; L357-K360 PolarHBondContact O-N 2.92Å; L357-K360 VanDerWaalsContact O-N 3.16Å; L357-M361 WeakPolarHBondContact O-CG 3.26Å; L357-M361 PolarHBondContact O-N 3.35Å
358A85.3Confident76.2Confident55 Ų55128.1 Ų128.146%0.45568%0.675SS.*Hα-helixtrans-61.5-38.5178.500000112.7S354 E356 M361S354-A358 WeakPolarHBondContact O-CB 3.37Å; S354-A358 PolarHBondContact O-N 3.29Å; E356-A358 VanDerWaalsContact C-N 3.31Å; E356-A358 PolarHBondContact O-N 3.37Å; A358-M361 PolarHBondContact O-N 3.14Å
359R84.7Confident74.7Confident128 Ų128127.5 Ų127.548%0.48368%0.677SS.*Hα-helixtrans-69.6-35.6175.1-74.9-176-63.1157.415.2112.2D355 E356 L357 M361 R362D355-R359 WeakPolarHBondContact O-CG 3.26Å; D355-R359 PolarHBondContact O-N 2.82Å; D355-R359 PolarHBondContact O-NE 2.89Å; E356-R359 PolarHBondContact O-N 3.35Å; L357-R359 VanDerWaalsContact C-N 3.33Å; L357-R359 PolarHBondContact O-N 2.91Å; R359-M361 VanDerWaalsContact C-N 3.34Å; R359-R362 PolarHBondContact O-N 3.06Å
360K82.9Confident72.8Confident177 Ų177127.1 Ų127.177%0.7768%0.675SS**Hα-helixtrans-71.1-26.3176.9-168.2174.2179.9178.90113.4E356 L357 R362E356-K360 PolarHBondContact O-N 3.15Å; L357-K360 PolarHBondContact O-N 2.92Å; L357-K360 VanDerWaalsContact O-N 3.16Å; K360-R362 PolarHBondContact O-N 3.26Å
361M82.8Confident70.9Confident145 Ų145126.3 Ų126.371%0.71468%0.675SS**THydrogen-bonded Turntrans-70.4-14.5173.4-72.2-59.8-61.900113.4L357 A358 R359 P363L357-M361 WeakPolarHBondContact O-CG 3.26Å; L357-M361 PolarHBondContact O-N 3.35Å; A358-M361 PolarHBondContact O-N 3.14Å; R359-M361 VanDerWaalsContact C-N 3.34Å; M361-P363 WeakPolarHBondContact O-CD 3.27Å
362R83.4Confident68.7Low185 Ų185129.8 Ų129.870%0.69870%0.696SS**SBendtrans-81.7123.4174.2-62.7-172.3-172.8-174.52.5109.2R359 K360 Y364 G365R359-R362 PolarHBondContact O-N 3.06Å; K360-R362 PolarHBondContact O-N 3.26Å; R362-Y364 PolarHBondContact O-N 3.39Å; R362-G365 PolarHBondContact O-N 2.9Å
363P63.3Low66.5Low115 Ų115133.3 Ų133.375%0.74771%0.712SS**THydrogen-bonded Turntrans-64.85.7-171.519.9-29.3000116.6M361M361-P363 WeakPolarHBondContact O-CD 3.27Å
364Y60Low63.9Low225 Ų225135.9 Ų135.988%0.88271%0.712SS**THydrogen-bonded Turntrans-141.933.5179.4-63.5-77.5000114R362R362-Y364 PolarHBondContact O-N 3.39Å
365G55.3Low61.3Low59 Ų59139.7 Ų139.761%0.60872%0.72SS**  trans-89-3.3-175.200000117.6R362R362-G365 PolarHBondContact O-N 2.9Å
366S55.9Low58.7Low116 Ų116142.6 Ų142.681%0.81174%0.741SS**  trans-108.987.5-179.2-79.20000111.4
367R52.3Low56.2Low234 Ų234142.8 Ų142.888%0.88375%0.75SS**SBendtrans154.797141.2-88.2164.3154.9-143.7-6.7109.5
368T41Very low53.8Low143 Ų143146.7 Ų146.788%0.87777%0.765SS**  167.892.7126.548.40000107.8
369S44.7Very low51.2Low126 Ų126151.2 Ų151.288%0.88178%0.782SS**  trans-115.196.2159.6-60.70000106.5
370S38.8Very low49.2Very low111 Ų111151.7 Ų151.778%0.77680%0.799SS**  trans-146.196.7163.1-54.70000108.2
371L45.8Very low47Very low164 Ų164146.2 Ų146.286%0.85979%0.793SS**  trans34.7105.2143.9-63.3165000117.4
372L38.4Very low44.9Very low175 Ų175146.2 Ų146.292%0.91680%0.801SS**  trans-138.7109.7137.2-74.9-178.5000109.7
373L42.8Very low42.8Very low138 Ų138144.4 Ų144.472%0.72381%0.806SS**  trans-54.5170.1156.7-173.166.5000110.1
374F32.5Very low41.9Very low167 Ų167145 Ų14573%0.73281%0.812SS**  trans86.9136.4175-49.4-73.1000114.3
375E31.2Very low41.3Very low163 Ų163139.4 Ų139.476%0.76281%0.806SS**  cis-170.5142.9-13.2-174.3159.7162.300103.5V377E375-V377 PolarHBondContact O-N 3.3Å
376T37Very low41.1Very low137 Ų137140.4 Ų140.484%0.8482%0.817SS**  trans-68.5113.5-177.847.20000111.4
377V35.6Very low40.7Very low125 Ų125138.3 Ų138.376%0.75881%0.806SS**  trans-139.5112.9156.8-179.60000108.9E375E375-V377 PolarHBondContact O-N 3.3Å
378H36.1Very low40.6Very low192 Ų192133.2 Ų133.289%0.88980%0.804SS**  trans-63.5126.6161.3-85-88000108.7
379D30.1Very low40.8Very low151 Ų151134.3 Ų134.381%0.80780%0.803SS**  trans-147.5123.1148.7-139.1-15.9000112.3
380T42.7Very low41.3Very low137 Ų137136 Ų13684%0.8480%0.801SS**  trans-79.6116.117333.90000108.8
381G36.4Very low41.9Very low63 Ų63137.8 Ų137.865%0.64980%0.801SS**  trans175.765.8175.700000112.9N383G381-N383 VanDerWaalsContact C-N 3.25Å; G381-N383 PolarHBondContact O-N 3.35Å
382T40.1Very low41.9Very low144 Ų144137.6 Ų137.688%0.88380%0.8SS**  trans-71.482.3169.448.10000110.4
383N38.4Very low42Very low148 Ų148139.4 Ų139.479%0.79180%0.796SS**  trans-114.978.1162-54.6-1.3000107G381 S385G381-N383 VanDerWaalsContact C-N 3.25Å; G381-N383 PolarHBondContact O-N 3.35Å; N383-S385 PolarHBondContact O-N 2.85Å
384S44.5Very low41.7Very low126 Ų126142.3 Ų142.388%0.88183%0.825SS**  trans-60.8104.2174.8170.50000110.5
385S46.8Very low42.2Very low108 Ų108141.1 Ų141.176%0.75583%0.83SS**  trans-125.8105.1157.5170.80000107.4N383 A387N383-S385 PolarHBondContact O-N 2.85Å; S385-A387 PolarHBondContact O-N 3.17Å; S385-A387 VanDerWaalsContact O-N 3.14Å
386G52.7Low42.8Very low81 Ų81139.9 Ų139.984%0.83583%0.833SS**  trans-67.4106.4177.600000111.4
387A46.5Very low43.1Very low72 Ų72140.1 Ų140.160%0.59583%0.833SS**  trans-152.6120.215900000108.8S385 L389S385-A387 PolarHBondContact O-N 3.17Å; S385-A387 VanDerWaalsContact O-N 3.14Å; A387-L389 PolarHBondContact O-N 3.32Å
388P50.2Low43.5Very low127 Ų127140.9 Ų140.983%0.82584%0.838SS**  trans-76.9111.6171.929.4-29.3000109.1L390P388-L390 PolarHBondContact O-N 3.31Å
389L45.9Very low44Very low165 Ų165137.8 Ų137.886%0.86483%0.834SS**  trans-75.3111.5169-70.1177.2000108.8A387 I391A387-L389 PolarHBondContact O-N 3.32Å; L389-I391 PolarHBondContact O-N 3.33Å
390L54.1Low44.9Very low161 Ų161136.9 Ų136.984%0.84384%0.836SS**  trans-61.2120.6167-68.1169.5000108.7P388 L392P388-L390 PolarHBondContact O-N 3.31Å; L390-L392 PolarHBondContact O-N 3.32Å; L390-L392 VanDerWaalsContact O-N 3.17Å
391I52.6Low45.1Very low150 Ų150136.9 Ų136.977%0.76984%0.836SS**  trans-72.5104.5167.3-61173.2000106.7L389 Y393L389-I391 PolarHBondContact O-N 3.33Å; I391-Y393 HydrophobicContact CG2-CD2 4.43Å; I391-Y393 PolarHBondContact O-N 3.17Å
392L45.1Very low45.8Very low159 Ų159142.5 Ų142.583%0.83285%0.85SS**  trans-69.4111.5168.8-101.6151.3000108.8L390L390-L392 PolarHBondContact O-N 3.32Å; L390-L392 VanDerWaalsContact O-N 3.17Å
393Y40.7Very low46.2Very low214 Ų214142.4 Ų142.484%0.83985%0.847SS**  trans-84.7108.5152.7-94.3-92.7000107.6I391I391-Y393 HydrophobicContact CG2-CD2 4.43Å; I391-Y393 PolarHBondContact O-N 3.17Å
394C37.2Very low46.9Very low198 Ų198141.9 Ų141.9100%1.33885%0.852SS**  trans169.70141.1-92.90000109.6

Retrieved 394 of 394 residues in 243.4 ms (Link to these results)