A0A087XI89_POEFO Loading...

Zinc finger protein 771-like

AlphaFold DB , UniProt , Accession A0A087XI89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low41.5Very low226 Ų226157.5 Ų157.5100%1.11386%0.861SS**  0125.70-85.9177173.500106.4
2E41.3Very low42.1Very low184 Ų184159.8 Ų159.886%0.8686%0.861SS**  trans81.7120.3147.3-61.5170.2143.200119.2
3D44.8Very low42.1Very low154 Ų154156.9 Ų156.982%0.82486%0.861SS**  trans-65.8160174.3-55-77.4000113.6
4S48.5Very low41.9Very low120 Ų120157.1 Ų157.184%0.83986%0.86SS**  -169.7108.6129.611.20000113
5E51.4Low41.9Very low180 Ų180152.1 Ų152.184%0.84185%0.848SS**  trans-13.5139.8147.5-53169.6138.100117.8
6T50.1Low42Very low147 Ų147153.1 Ų153.190%0.90285%0.85SS**  trans-154.6118.5130.929.70000110.3
7E43.8Very low41.5Very low179 Ų179148.6 Ų148.684%0.83685%0.846SS**  trans-73.8142.2166.3-61.2-177.1122.200110.5
8L34.4Very low41.6Very low176 Ų176144.4 Ų144.492%0.92183%0.833SS**  trans-145.8112.3147.6-96.2172.2000109
9T37.1Very low41.6Very low126 Ų126145.2 Ų145.277%0.77383%0.834SS**  trans-91.6126.3171.5440000109.5
10V33Very low41.4Very low134 Ų134147.5 Ų147.581%0.81283%0.834SS**  trans-148.6106.5153.5172.40000110.4
11S36.9Very low41.4Very low107 Ų107147.6 Ų147.675%0.74883%0.831SS**  trans43.1122.4148.663.30000123
12E48.2Very low41.5Very low184 Ų184143 Ų14386%0.8682%0.816SS**  trans-54.3150.2159.5-67.6166.2113.900114.3
13S42.1Very low41.4Very low123 Ų123139.2 Ų139.286%0.8681%0.805SS**  trans-149.5117.9139.2-69.30000109.2
14D38.9Very low41.2Very low160 Ų160140.9 Ų140.986%0.85681%0.808SS**  trans-32139.1169.9-77.8-59.5000115.8
15A41.7Very low40.7Very low81 Ų81142.1 Ų142.167%0.66980%0.804SS**  162.8114.295.100000111.9
16L43.7Very low40.4Very low168 Ų168141.5 Ų141.588%0.8881%0.807SS**  trans66.982.3144.9-52.2177.3000117A18L16-A18 PolarHBondContact O-N 3.45Å
17G34.8Very low40.2Very low77 Ų77140.6 Ų140.679%0.79480%0.801SS**  trans-60.9112.9153.600000110.3
18A42.6Very low39.9Very low73 Ų73140.9 Ų140.960%0.60380%0.802SS**  trans-78.9114161.100000107.6L16 F20L16-A18 PolarHBondContact O-N 3.45Å; A18-F20 VanDerWaalsContact O-CD2 3.31Å; A18-F20 WeakPolarHBondContact O-CD2 3.1Å; A18-F20 PolarHBondContact O-N 3.48Å
19D42.2Very low40.1Very low159 Ų159138.3 Ų138.385%0.8580%0.796SS**  trans-62106.7168.7-68.9-38.5000109I21D19-I21 PolarHBondContact O-N 2.69Å
20F36.3Very low40.2Very low191 Ų191138.7 Ų138.784%0.83879%0.792SS**  trans-75111.7169.9-74-90.9000108.7A18 T22A18-F20 VanDerWaalsContact O-CD2 3.31Å; A18-F20 WeakPolarHBondContact O-CD2 3.1Å; A18-F20 PolarHBondContact O-N 3.48Å; F20-T22 PolarHBondContact O-N 2.98Å
21I41.4Very low40.4Very low151 Ų151140.4 Ų140.477%0.77479%0.791SS**  trans-76.8108.8163.7-59.7172.4000106.8D19 V23D19-I21 PolarHBondContact O-N 2.69Å; I21-V23 HydrophobicContact CG2-CG2 4.04Å; I21-V23 PolarHBondContact O-N 3.33Å
22T38.5Very low40.4Very low129 Ų129144.6 Ų144.679%0.79179%0.792SS**  trans-73.4114.6167.341.70000109F20F20-T22 PolarHBondContact O-N 2.98Å
23V38.6Very low39.7Very low105 Ų105141.4 Ų141.464%0.63679%0.785SS**  trans-108.9103.5163.4179.90000105.8I21 L25I21-V23 HydrophobicContact CG2-CG2 4.04Å; I21-V23 PolarHBondContact O-N 3.33Å; V23-L25 HydrophobicContact CG1-CD1 4.12Å; V23-L25 HydrophobicContact CG1-CG 4.11Å; V23-L25 PolarHBondContact O-N 3.2Å
24E40.6Very low39.4Very low189 Ų189141 Ų14188%0.88378%0.777SS**  trans-67.8114.3168.3-72.4177.9165.700108.4
25L38.2Very low39.3Very low145 Ų145142.1 Ų142.176%0.75977%0.774SS**  trans-124.7109.1165.1-82.4163.9000106.6V23 T27V23-L25 HydrophobicContact CG1-CD1 4.12Å; V23-L25 HydrophobicContact CG1-CG 4.11Å; V23-L25 PolarHBondContact O-N 3.2Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.14Å
26D45.6Very low39Very low168 Ų168150 Ų15090%0.89879%0.787SS**SBendtrans-59.189.3167.3-80.6-35.6000109.8
27T44.9Very low38.7Very low127 Ų127146.7 Ų146.778%0.77978%0.784SS**SBendtrans-179.5112143.345.50000107.9L25L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.14Å
28Q39.2Very low39Very low185 Ų185152.3 Ų152.386%0.86479%0.79SS**  trans3.3120.7166.9-64173.6-8.100118.3I30Q28-I30 PolarHBondContact O-N 3.19Å
29P37Very low38.9Very low122 Ų122156.3 Ų156.379%0.79281%0.806SS**  trans-79.1121.6170.131.2-30.1000110.9E31P29-E31 PolarHBondContact O-N 3.3Å
30I39.6Very low39.1Very low134 Ų134152.4 Ų152.469%0.68780%0.803SS**  trans-75.6106.7160.9-60.9170.1000106.5Q28 Y32Q28-I30 PolarHBondContact O-N 3.19Å; I30-Y32 HydrophobicContact CB-CE2 4.29Å; I30-Y32 HydrophobicContact CG2-CD2 3.92Å; I30-Y32 HydrophobicContact CG2-CE2 3.44Å; I30-Y32 VanDerWaalsContact CG2-CE2 3.44Å; I30-Y32 PolarHBondContact O-N 3.03Å
31E38.2Very low39.2Very low170 Ų170147.5 Ų147.579%0.79479%0.793SS**  trans-66.4113.9174.4-70.7-173.3159.400110.4P29P29-E31 PolarHBondContact O-N 3.3Å
32Y35.8Very low39.5Very low195 Ų195149.9 Ų149.977%0.76580%0.798SS**  trans-106.8102.9161.6-74.6-78.7000108.6I30 V34I30-Y32 HydrophobicContact CB-CE2 4.29Å; I30-Y32 HydrophobicContact CG2-CD2 3.92Å; I30-Y32 HydrophobicContact CG2-CE2 3.44Å; I30-Y32 VanDerWaalsContact CG2-CE2 3.44Å; I30-Y32 PolarHBondContact O-N 3.03Å; Y32-V34 PolarHBondContact O-N 2.76Å
33V34.3Very low39.5Very low117 Ų117152.1 Ų152.171%0.70980%0.797SS**  trans-77.197.5168.1178.90000108.3K35V33-K35 HydrophobicContact CG1-CG 4.18Å; V33-K35 PolarHBondContact O-N 2.83Å
34V35.6Very low39.7Very low114 Ų114153.6 Ų153.669%0.69181%0.806SS**  trans-85.789.3168.4-176.80000108.3Y32Y32-V34 PolarHBondContact O-N 2.76Å
35K35.8Very low39.5Very low184 Ų184152.3 Ų152.380%0.880%0.804SS**  trans-76.9127.1161.3-87.8179.2177.4173.40108.4V33V33-K35 HydrophobicContact CG1-CG 4.18Å; V33-K35 PolarHBondContact O-N 2.83Å
36W35.3Very low39.2Very low246 Ų246150.3 Ų150.393%0.93280%0.802SS**  trans-72.7130.1178.2-64.153.1000108.2
37A38.4Very low38.6Very low100 Ų100148.2 Ų148.283%0.82680%0.799SS**  trans-128.5142.217200000109.6
38E40.2Very low38.1Very low194 Ų194148.4 Ų148.491%0.90780%0.8SS**  trans-67.2159.7-175.4-70.3-179.6146.600113.6G40E38-G40 PolarHBondContact O-N 2.72Å
39V40.4Very low38.1Very low157 Ų157147.6 Ų147.695%0.95279%0.793SS**SBendtrans-65.1121.5-1721780000111.3
40G48Very low38.3Very low77 Ų77150.6 Ų150.679%0.79479%0.794SS**  trans141.421.1160.300000119.4E38E38-G40 PolarHBondContact O-N 2.72Å
41S38.6Very low38.1Very low88 Ų88149.6 Ų149.662%0.61579%0.79SS**  trans-132.8134.1174.8-163.50000113.6F43S41-F43 WeakPolarHBondContact OG-CE2 3.3Å; S41-F43 WeakPolarHBondContact OG-CZ 3.42Å
42K47.1Very low37.9Very low202 Ų202147 Ų14788%0.87879%0.791SS**  trans-89113.2-174.2-170-175.3-173.5-176.90108.3
43F38.3Very low37.9Very low176 Ų176144.5 Ų144.577%0.77279%0.79SS**  trans-125.6134.3172.5-66.9-75.5000111.7S41S41-F43 WeakPolarHBondContact OG-CE2 3.3Å; S41-F43 WeakPolarHBondContact OG-CZ 3.42Å
44T42.8Very low37.8Very low136 Ų136147.2 Ų147.283%0.83480%0.801SS**  trans-88.3129.2171.743.60000109.5
45I36.5Very low37.7Very low161 Ų161145.8 Ų145.883%0.82680%0.801SS**  trans-90.8112.7173.4-58.3171.9000107.6
46S31.9Very low37.8Very low104 Ų104145 Ų14573%0.72780%0.8SS**  trans-97118.9168.448.50000109.5
47C33.1Very low37.6Very low123 Ų123140.7 Ų140.783%0.83179%0.79SS**  trans-81.9114.6174.8-62.50000109.6
48V34.5Very low37.3Very low132 Ų132142.5 Ų142.580%0.879%0.785SS**  trans-97.3119.1163179.50000107.2
49K37.9Very low36.8Very low168 Ų168140 Ų14073%0.7378%0.784SS**  trans-79.9116.7169.6-169.9-179.4176.4-166.50106.8D51K49-D51 WeakPolarHBondContact CE-OD1 3.41Å; K49-D51 IonicContact NZ-OD1 3.89Å
50K42Very low36.4Very low185 Ų185136.7 Ų136.780%0.80477%0.773SS**  trans-89.9104.1173.8-171.2174.6179.1-175.20107.4
51D34.6Very low35.6Very low113 Ų113141.5 Ų141.560%0.60478%0.775SS**  trans-81.2138.6168.4-70-47.5000109.3K49K49-D51 WeakPolarHBondContact CE-OD1 3.41Å; K49-D51 IonicContact NZ-OD1 3.89Å
52S33.9Very low35.9Very low115 Ų115142 Ų14280%0.80478%0.776SS**  trans11.7131.8161.551.30000121.5
53D36.3Very low35Very low142 Ų142140.1 Ų140.176%0.75977%0.774SS**  trans-66.7137.3167.2-58-61.8000112.9
54D32.3Very low34.6Very low174 Ų174140.4 Ų140.493%0.9378%0.776SS**  trans-151.4147.6147-94.8-50.1000109.4
55A34.2Very low33.8Very low84 Ų84140.6 Ų140.669%0.69477%0.77SS**  trans-89.9168.6-159.300000115.8
56E36.9Very low33.4Very low168 Ų168141.9 Ų141.979%0.78577%0.772SS**  trans113.8123.8152.4-59.2-62.4150.400119.2
57E32.3Very low33.7Very low155 Ų155140.7 Ų140.772%0.72477%0.769SS**  trans53.1112.6148.2-88.5-173131.700125
58L32.4Very low33.6Very low138 Ų138142.5 Ų142.572%0.72377%0.77SS**  74.8130122.8-74173.7000124.2
59T29.1Very low33.6Very low142 Ų142145 Ų14587%0.87177%0.773SS**  trans95150.8146.270.40000120.2
60A32Very low33.5Very low88 Ų88141.5 Ų141.573%0.72778%0.776SS**  trans-112.2152.9-149.200000114.2
61E30.5Very low33.1Very low178 Ų178142.5 Ų142.583%0.83278%0.78SS**  trans67.9162.9149.1-78.3-112.814000118.5
62P46.4Very low32.9Very low97 Ų97146.7 Ų146.763%0.6379%0.794SS**  -117.7176.1-87.526.5-3.8000111.4
63L27.9Very low32.8Very low163 Ų163145.2 Ų145.285%0.85379%0.788SS**  trans159.6114.1142.5-84.5163.2000112.8
64K28.4Very low33Very low183 Ų183143.8 Ų143.880%0.79679%0.787SS**  19.1125.4126.6-107.5172.7-175.3175.70119.1
65I26.4Very low32.9Very low140 Ų140145.9 Ų145.972%0.71878%0.783SS**  151.1128.9116.3-82151000113.5
66E28.6Very low32.9Very low187 Ų187150 Ų15087%0.87479%0.788SS**  trans67.9148.9147.4-75171.3175.900125.3
67A38.7Very low32.8Very low79 Ų79150.1 Ų150.165%0.65379%0.789SS**  trans-65.2158.8178.300000112
68D29.8Very low32.7Very low161 Ų161148.4 Ų148.486%0.86179%0.789SS**  -166.1158122.1-94-20.1000112.3
69E35.1Very low32.8Very low185 Ų185150.6 Ų150.686%0.86479%0.793SS**  trans-71.1174.2-168.9-58.1176.7134.200114.2
70A35.8Very low33.4Very low95 Ų95148.5 Ų148.579%0.78578%0.781SS**  trans90.794.3161.700000117.9
71F32.7Very low33.1Very low205 Ų205150.7 Ų150.790%0.89979%0.79SS**  -160.889.3124.1-143.3-103.9000111.3
72F31.6Very low33.3Very low202 Ų202150.9 Ų150.989%0.88679%0.791SS**  trans-105.3124.3165.7-119.7-90.1000108.1
73A30.6Very low32.5Very low83 Ų83152.1 Ų152.169%0.68680%0.796SS**  trans-152.3113.1156.500000109.6
74P40.9Very low32.6Very low113 Ų113151.3 Ų151.373%0.73480%0.798SS**  trans-84.2152.6174.44.114000111.5
75Y30.2Very low32.8Very low217 Ų217151 Ų15185%0.85180%0.8SS**  trans-135.8101.2166-162.9-96.1000110.4
76E34Very low33.1Very low172 Ų172153.4 Ų153.480%0.80481%0.808SS**  trans-140.6142.9157.5-129179.5-166.200109.2
77E35.9Very low33.4Very low170 Ų170149.1 Ų149.179%0.79480%0.799SS**  trans85.6103158.2-59.9-174.2162.400121
78V30.6Very low32.9Very low119 Ų119152.4 Ų152.472%0.72181%0.81SS**  trans-149.5125.8154.8164.40000103.8
79F33.7Very low33Very low184 Ų184152.6 Ų152.681%0.80781%0.806SS**  cis-175.6-168.96.1-128.9-84.2000106.6
80P41.3Very low32.8Very low97 Ų97152 Ų15263%0.6381%0.807SS**  -106.3179.9-117.146.8-32000115.1
81C26.9Very low32.5Very low135 Ų135156 Ų15691%0.91281%0.807SS**  trans-134.1135.8155.1-1270000110.7
82E33.9Very low32.5Very low181 Ų181152.6 Ų152.685%0.84680%0.803SS**  trans-83.3142.6-161.7-61.4174.9163.100114.5
83V29.3Very low32.4Very low123 Ų123150.1 Ų150.175%0.74580%0.799SS**  trans-11.2135.5153.2-171.60000118.2
84T29.8Very low32.3Very low147 Ų147151.4 Ų151.490%0.90280%0.803SS**  -151.4103.9122.5350000110.1
85E33.5Very low32Very low177 Ų177153.3 Ų153.383%0.82781%0.807SS**  trans-91.9140.8163.3-66.8-173.515200109.7
86Q33.2Very low32.5Very low189 Ų189150.8 Ų150.888%0.88380%0.803SS**  trans-127.698150.8-91-178-9.200107.5
87S33.1Very low32.7Very low98 Ų98150.1 Ų150.169%0.68580%0.8SS**  trans26.7125.8134.556.30000118.8
88V29Very low32.4Very low147 Ų147149 Ų14989%0.89180%0.799SS**  -155.9129.5105.1-177.60000109.2
89E31.8Very low32.7Very low165 Ų165151.6 Ų151.677%0.77180%0.804SS**  trans-73147.8-180-55.3164.4152.900113.1
90I30.3Very low32.5Very low173 Ų173149.2 Ų149.289%0.88780%0.799SS**  trans-139.1120.9142-55.8-177.8000108.7
91K30.7Very low32.2Very low179 Ų179148.6 Ų148.678%0.77880%0.802SS**  trans-58.4136178.4-79.2161168.8163.60113.2
92T32.2Very low32.6Very low134 Ų134149.9 Ų149.982%0.82280%0.795SS**  trans-93.4129.4150.849.20000107.6
93D28.6Very low32.5Very low150 Ų150148.3 Ų148.380%0.80279%0.788SS**  trans-155.8149161.4-119.3-29.3000112.2
94S30.1Very low32.7Very low110 Ų110149.4 Ų149.477%0.76980%0.795SS**  trans90.2107.2155.6-58.30000120.3
95D33.5Very low33Very low153 Ų153152.2 Ų152.282%0.81879%0.789SS**  trans-65.2171.7159.4-66.2-65.5000114.8
96E42.1Very low33.1Very low164 Ų164152.2 Ų152.277%0.76679%0.794SS**  trans119.5112.5144.2-57.1-150.5169.500119.7
97E36.3Very low33Very low158 Ų158149 Ų14974%0.73878%0.782SS**  trans79.6115.7131.4-61.5-172168.600123.6
98D30.2Very low33Very low145 Ų145152.5 Ų152.578%0.77579%0.792SS**  35.9131.7129.3-61.9-54.2000123.5
99E37.8Very low33.4Very low175 Ų175153.1 Ų153.182%0.81879%0.785SS**  170.8127.6111.6-88.4-164.5172.100112.9
100D29.4Very low33.5Very low133 Ų133150.3 Ų150.371%0.71179%0.79SS**  trans65.4121.1135.8-63.7-57000126.8
101A33.5Very low33.4Very low85 Ų85146 Ų14670%0.70279%0.788SS**  76.6158.9120.500000123.8
102E35.8Very low33.5Very low161 Ų161141.6 Ų141.675%0.75279%0.793SS**  trans89.491.6173.8-61-69.7141.400115.6
103E33.3Very low33.4Very low149 Ų149139.3 Ų139.370%0.69680%0.797SS**  55.699.274.4-166.2167.9171.700113.4
104T33.5Very low33.7Very low146 Ų146136.7 Ų136.790%0.89680%0.796SS**  trans-144.788.2147.326.60000108.9
105R36Very low34.9Very low206 Ų206136.5 Ų136.578%0.77779%0.792SS**  trans-70.2123.3152.6-90.8177142.3172.4-4.8108.3
106L33.9Very low34.9Very low177 Ų177136.6 Ų136.693%0.92779%0.793SS**  trans-132.7113.3143.6-87178.4000109.9
107L32.4Very low34.7Very low122 Ų122131.5 Ų131.564%0.63978%0.784SS**  trans-60.8153.2165.3-71.5150.1000111
108L31.8Very low34.9Very low171 Ų171132.5 Ų132.590%0.89579%0.788SS**  -161.3135.1117.5-97166.7000110.6
109E37.4Very low35.7Very low160 Ų160130 Ų13075%0.74879%0.788SS**  trans-85.2163-165.3-67.1145.2124.400114.7
110A33.7Very low35.7Very low106 Ų106129.3 Ų129.388%0.87679%0.79SS**  164.8133.7117.500000108.4
111G29.7Very low36.8Very low82 Ų82131 Ų13185%0.84580%0.798SS**  cis168.1159.72.800000108.1
112G32.4Very low37.3Very low86 Ų86134.4 Ų134.489%0.88781%0.805SS**  trans124.896.9153.800000118
113G30.4Very low38.5Very low87 Ų87137.9 Ų137.990%0.89781%0.811SS**  trans90.2108.6134.400000119.1
114A33.4Very low38.9Very low94 Ų94137.9 Ų137.978%0.77782%0.815SS**  trans-106.6-175.3158.600000109.1
115P57Low39.3Very low107 Ų107140.3 Ų140.370%0.69581%0.81SS**  cis-119.9-176-26.121.43.5000110.1
116D33.9Very low39.7Very low155 Ų155140.6 Ų140.683%0.82981%0.812SS**  -176.5145.499.6-63.2-33.4000109.7
117G37.2Very low40.6Very low56 Ų56138.7 Ų138.758%0.57780%0.798SS**  trans112.4110.3149.700000118.1
118E40.5Very low41.5Very low179 Ų179137.4 Ų137.484%0.83680%0.797SS**  trans41120.2155.342.3-87.2-177.200122.9
119A45.8Very low42.7Very low93 Ų93137 Ų13777%0.76979%0.791SS**  trans-75.4129.1155.700000110.3
120D39.2Very low43.5Very low160 Ų160131.9 Ų131.986%0.85678%0.781SS**  trans-142.1125.1149.9-88.4-43.3000109.8D122D120-D122 PolarHBondContact O-N 3.34Å
121L51.8Low44.4Very low168 Ų168136.8 Ų136.888%0.8878%0.777SS**  trans-79.9105.6-178.8-69.9163.7000109
122D45.2Very low46.4Very low158 Ų158137.9 Ų137.985%0.84576%0.76SS**  trans-125.198.8153-92.8-44.3000110.5D120 D124D120-D122 PolarHBondContact O-N 3.34Å; D122-D124 PolarHBondContact O-N 3.18Å
123R60.2Low48.5Very low234 Ų234138 Ų13888%0.88373%0.734SS**  trans-65.3102.4160.6164.315860.8177.8-1.3107.2
124D40.6Very low51.2Low148 Ų148141.6 Ų141.679%0.79172%0.721SS**  trans-155.9136.6153.8-94.6-40.3000113.6D122D122-D124 PolarHBondContact O-N 3.18Å
125Y43.2Very low53.7Low197 Ų197137.2 Ų137.277%0.77368%0.684SS**  trans70.979.9161.4-135.8-102.2000118.1E127Y125-E127 VanDerWaalsContact C-N 3.27Å; Y125-E127 HydrophobicContact CD1-CB 4.18Å; Y125-E127 HydrophobicContact CE1-CB 4.46Å; Y125-E127 PolarHBondContact O-N 2.94Å
126Y43.9Very low54.7Low213 Ų213136.6 Ų136.684%0.83568%0.683SS**  trans-60.191.4155.2-167.9-95.3000108.7P128Y126-P128 HydrophobicContact CD1-CB 4.14Å; Y126-P128 HydrophobicContact CD1-CG 4.32Å; Y126-P128 HydrophobicContact CE1-CB 3.94Å; Y126-P128 WeakPolarHBondContact O-CD 3.47Å
127E53.4Low56.6Low136 Ų136136.8 Ų136.864%0.63667%0.673SS**  trans-76.4105.7166.7-162.2173.2-172.200107Y125 E129Y125-E127 VanDerWaalsContact C-N 3.27Å; Y125-E127 HydrophobicContact CD1-CB 4.18Å; Y125-E127 HydrophobicContact CE1-CB 4.46Å; Y125-E127 PolarHBondContact O-N 2.94Å; E127-E129 PolarHBondContact O-N 3.49Å
128P51.1Low58.7Low95 Ų95136.6 Ų136.662%0.61766%0.662SS**  trans-80.180.4174.723.8-8.5000105.7Y126 G130Y126-P128 HydrophobicContact CD1-CB 4.14Å; Y126-P128 HydrophobicContact CD1-CG 4.32Å; Y126-P128 HydrophobicContact CE1-CB 3.94Å; Y126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-G130 PolarHBondContact O-N 3.27Å
129E55.9Low60.5Low163 Ų163129.3 Ų129.376%0.76264%0.635SS**  trans-56.9102.4161.2-82-158.1143.700106.3E127 R131E127-E129 PolarHBondContact O-N 3.49Å; E129-R131 PolarHBondContact O-N 3.11Å
130G55.4Low62.2Low52 Ų52130.3 Ų130.354%0.53662%0.622SS.*  trans-47.8112.5-174.500000108.3P128 Q132P128-G130 PolarHBondContact O-N 3.27Å; G130-Q132 VanDerWaalsContact C-N 3.26Å; G130-Q132 VanDerWaalsContact O-CG 3.3Å; G130-Q132 WeakPolarHBondContact O-CG 3.21Å; G130-Q132 PolarHBondContact O-N 3.25Å
131R52.8Low64.3Low210 Ų210130 Ų13079%0.79261%0.609SS**  trans-57.594.3-175.6-141.3178.9-148.8-154.35.9107.7E129 Y133E129-R131 PolarHBondContact O-N 3.11Å; R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å; R131-Y133 PolarHBondContact O-N 3.04Å
132Q70.9Confident65.8Low104 Ų104124.5 Ų124.549%0.48658%0.577SS.*  trans-82.3109.6-171.7-86.8165.83200107.5G130 R134 R141 Y142G130-Q132 VanDerWaalsContact C-N 3.26Å; G130-Q132 VanDerWaalsContact O-CG 3.3Å; G130-Q132 WeakPolarHBondContact O-CG 3.21Å; G130-Q132 PolarHBondContact O-N 3.25Å; Q132-R134 PolarHBondContact O-N 3.35Å; Q132-R141 HydrophobicContact CB-CB 4.43Å; Q132-Y142 CarbonylContact C-O 3.44Å; Q132-Y142 WeakPolarHBondContact CA-O 3.41Å
133Y76.8Confident67.6Low88 Ų88121.2 Ų121.235%0.34557%0.566SS.*EExtended strand (participates in β ladder)trans-69.7115.7-179.4-63.8-84000109R131 R141 Y142 A145R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å; R131-Y133 PolarHBondContact O-N 3.04Å; Y133-R141 CarbonylContact O-C 3.54Å; Y133-R141 WeakPolarHBondContact O-CA 3.39Å; Y133-Y142 PolarHBondContact N-O 3.4Å; Y133-Y142 PolarHBondContact O-N 3.43Å; Y133-A145 HydrophobicContact CD1-CB 3.87Å; Y133-A145 HydrophobicContact CD2-CB 4.42Å; Y133-A145 HydrophobicContact CE1-CB 3.57Å; Y133-A145 HydrophobicContact CE2-CB 4.17Å; Y133-A145 VanDerWaalsContact CE2-N 3.31Å; Y133-A145 HydrophobicContact CG-CB 4.28Å
134R86.1Confident68.6Low164 Ų164115.5 Ų115.562%0.61955%0.549SS*.EExtended strand (participates in β ladder)trans-103.8132.8-176.8-169.8-178-177.3-145.30111.4Q132 S136 G139 K140 R141 L148Q132-R134 PolarHBondContact O-N 3.35Å; R134-S136 PolarHBondContact O-N 3.49Å; R134-G139 WeakPolarHBondContact CG-O 3.21Å; R134-G139 PolarHBondContact NE-O 3.32Å; R134-K140 CarbonylContact C-O 3.6Å; R134-K140 WeakPolarHBondContact CA-O 3.48Å; R134-R141 HydrophobicContact CB-CG 4.47Å; R134-R141 HydrophobicContact CG-CG 4.25Å; R134-L148 WeakPolarHBondContact O-CD1 3.44Å
135C85.9Confident70.4Confident1 Ų1110.7 Ų110.71%0.00753%0.53CS..  trans-75.4124.5175.4-1750000110.6Y137 G139 K140 Y142 L148 H155C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.35Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.42Å; C135-K140 PolarHBondContact N-O 3.08Å; C135-Y142 HydrophobicContact CB-CE2 4.47Å; C135-L148 HydrophobicContact CB-CD1 3.9Å; C135-H155 PolarHBondContact SG-CD2 3.44Å; C135-H155 PolarHBondContact SG-NE2 3.46Å; C135-H155 VanDerWaalsContact SG-NE2 3.44Å
136S79.1Confident72.2Confident95 Ų95105.5 Ų105.566%0.66452%0.522SS*.THydrogen-bonded Turntrans-62.1-34.9177.447.60000113.2R134R134-S136 PolarHBondContact O-N 3.49Å
137Y73.1Confident74.2Confident159 Ų15997 Ų9762%0.62449%0.494SS*.THydrogen-bonded Turntrans-80.6-27.8-175.4-62.9-78000114.7C135 H155C135-Y137 VanDerWaalsContact C-N 3.31Å; C135-Y137 PolarHBondContact O-N 3.35Å; Y137-H155 HydrophobicContact CD2-CB 4.21Å; Y137-H155 HydrophobicContact CG-CB 4.22Å
138C81.7Confident75.7Confident52 Ų5291.5 Ų91.535%0.35147%0.469SS..THydrogen-bonded Turntrans-140.79.4-177.178.70000115.2K140 H151 H155C138-K140 PolarHBondContact O-N 3.39Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; C138-H151 PolarHBondContact SG-NE2 2.95Å; C138-H155 VanDerWaalsContact SG-CE1 3.55Å; C138-H155 PolarHBondContact SG-NE2 3.17Å
139G78.8Confident77.2Confident25 Ų2591 Ų9126%0.25846%0.455SS..  trans67.85.3172.700000116.7R134 C135R134-G139 WeakPolarHBondContact CG-O 3.21Å; R134-G139 PolarHBondContact NE-O 3.32Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.42Å
140K81.3Confident78.4Confident115 Ų11591.7 Ų91.750%0.545%0.451SS..  trans-70.1138.2-178.8-72176.8-169.9174.20111.2R134 C135 C138 Y142R134-K140 CarbonylContact C-O 3.6Å; R134-K140 WeakPolarHBondContact CA-O 3.48Å; C135-K140 PolarHBondContact N-O 3.08Å; C138-K140 PolarHBondContact O-N 3.39Å; C138-K140 VanDerWaalsContact SG-CG 3.58Å; K140-Y142 HydrophobicContact CB-CE2 3.62Å; K140-Y142 WeakPolarHBondContact O-CD2 3.44Å; K140-Y142 WeakPolarHBondContact O-CE2 3.43Å
141R83.6Confident79.6Confident153 Ų15390.2 Ų90.258%0.57743%0.43SS*.EExtended strand (participates in β ladder)trans-101138.6-177.2-59.7178.271.1108.3-5.7110.4Q132 Y133 R134Q132-R141 HydrophobicContact CB-CB 4.43Å; Y133-R141 CarbonylContact O-C 3.54Å; Y133-R141 WeakPolarHBondContact O-CA 3.39Å; R134-R141 HydrophobicContact CB-CG 4.47Å; R134-R141 HydrophobicContact CG-CG 4.25Å
142Y83.5Confident81Confident53 Ų5382.7 Ų82.721%0.20840%0.404CS..EExtended strand (participates in β ladder)trans-130.8145.6-176.5-64.5-87.5000110.1Q132 Y133 C135 K140 H144 L148 H151Q132-Y142 CarbonylContact C-O 3.44Å; Q132-Y142 WeakPolarHBondContact CA-O 3.41Å; Y133-Y142 PolarHBondContact N-O 3.4Å; Y133-Y142 PolarHBondContact O-N 3.43Å; C135-Y142 HydrophobicContact CB-CE2 4.47Å; K140-Y142 HydrophobicContact CB-CE2 3.62Å; K140-Y142 WeakPolarHBondContact O-CD2 3.44Å; K140-Y142 WeakPolarHBondContact O-CE2 3.43Å; Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.95Å; Y142-L148 HydrophobicContact CD2-CB 4.21Å; Y142-L148 HydrophobicContact CD2-CD1 3.69Å; Y142-L148 HydrophobicContact CE2-CD1 4.24Å; Y142-L148 HydrophobicContact CG-CB 4.42Å; Y142-H151 HydrophobicContact CE1-CB 4.08Å; Y142-H151 HydrophobicContact CE2-CB 4.01Å; Y142-H151 AromaticContact CE2-CD2 3.25Å; Y142-H151 WeakPolarHBondContact CE2-CD2 3.49Å; Y142-H151 AromaticContact CE2-CG 3.71Å; Y142-H151 AromaticContact CZ-CD2 3.39Å; Y142-H151 AromaticContact CZ-CG 3.37Å; Y142-H151 PolarHBondContact OH-CD2 3.49Å; Y142-H151 PolarHBondContact OH-CE1 3.28Å; Y142-H151 PolarHBondContact OH-ND1 3.39Å; Y142-H151 VanDerWaalsContact OH-ND1 3.16Å; Y142-H151 PolarHBondContact OH-NE2 2.89Å
143S81.8Confident81.5Confident88 Ų8880.3 Ų80.362%0.61539%0.393SS*.SBendtrans-74.8-18.7178.753.20000113.8
144H81.3Confident81.4Confident114 Ų11480.6 Ų80.653%0.52840%0.404SS..SBendtrans-139.8142.7-175.7-66.378.5000112Y142 S146 S147 L148Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.95Å; H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact O-N 3.47Å; H144-S147 WeakPolarHBondContact O-CB 3.34Å; H144-S147 PolarHBondContact O-N 3.26Å; H144-L148 PolarHBondContact O-N 3.45Å; H144-L148 VanDerWaalsContact O-N 3.16Å
145A79.7Confident80.8Confident48 Ų4876.4 Ų76.440%0.39739%0.391SS..Hα-helixtrans-57-39.518000000112.7Y133 S147 L148 Y149Y133-A145 HydrophobicContact CD1-CB 3.87Å; Y133-A145 HydrophobicContact CD2-CB 4.42Å; Y133-A145 HydrophobicContact CE1-CB 3.57Å; Y133-A145 HydrophobicContact CE2-CB 4.17Å; Y133-A145 VanDerWaalsContact CE2-N 3.31Å; Y133-A145 HydrophobicContact CG-CB 4.28Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 3.43Å; A145-L148 WeakPolarHBondContact O-CB 3.5Å; A145-L148 PolarHBondContact O-N 3.31Å; A145-Y149 WeakPolarHBondContact O-CB 3.44Å; A145-Y149 PolarHBondContact O-N 3.29Å
146S80.9Confident79.7Confident87 Ų8779.3 Ų79.361%0.60841%0.409SS*.Hα-helixtrans-68-26.7178.537.30000113.2H144 R150H144-S146 VanDerWaalsContact C-N 3.29Å; H144-S146 PolarHBondContact O-N 3.47Å; S146-R150 PolarHBondContact O-N 3.25Å
147S84.3Confident78.3Confident35 Ų3577.7 Ų77.725%0.24541%0.407CS..Hα-helixtrans-77.1-38172.8-67.80000112.3H144 A145 H151H144-S147 WeakPolarHBondContact O-CB 3.34Å; H144-S147 PolarHBondContact O-N 3.26Å; A145-S147 VanDerWaalsContact C-N 3.28Å; A145-S147 PolarHBondContact O-N 3.43Å; S147-H151 WeakPolarHBondContact O-CB 3.5Å; S147-H151 PolarHBondContact O-N 2.81Å; S147-H151 VanDerWaalsContact O-N 3.14Å
148L86.6Confident77.4Confident21 Ų2181.3 Ų81.311%0.1142%0.42CS..Hα-helixtrans-60.7-48.8170.1178.885.4000110.7R134 C135 Y142 H144 A145 R150 H151 Q152R134-L148 WeakPolarHBondContact O-CD1 3.44Å; C135-L148 HydrophobicContact CB-CD1 3.9Å; Y142-L148 HydrophobicContact CD2-CB 4.21Å; Y142-L148 HydrophobicContact CD2-CD1 3.69Å; Y142-L148 HydrophobicContact CE2-CD1 4.24Å; Y142-L148 HydrophobicContact CG-CB 4.42Å; H144-L148 PolarHBondContact O-N 3.45Å; H144-L148 VanDerWaalsContact O-N 3.16Å; A145-L148 WeakPolarHBondContact O-CB 3.5Å; A145-L148 PolarHBondContact O-N 3.31Å; L148-R150 PolarHBondContact O-N 3.44Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.39Å; L148-H151 WeakPolarHBondContact O-CB 3.44Å; L148-H151 PolarHBondContact O-N 3.29Å; L148-Q152 HydrophobicContact CG-CG 4.28Å; L148-Q152 PolarHBondContact O-N 2.99Å
149Y81.3Confident75.6Confident84 Ų8484.9 Ų84.933%0.32944%0.44SS..Hα-helixtrans-58.1-50.9-177.6-179.4-99.7000111.3A145 H151 Q152 Q153 P162A145-Y149 WeakPolarHBondContact O-CB 3.44Å; A145-Y149 PolarHBondContact O-N 3.29Å; Y149-H151 PolarHBondContact O-N 3.47Å; Y149-Q152 PolarHBondContact O-N 3.49Å; Y149-Q152 VanDerWaalsContact O-N 3.13Å; Y149-Q153 HydrophobicContact CD1-CG 4.48Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 VanDerWaalsContact O-CG 3.3Å; Y149-Q153 WeakPolarHBondContact O-CG 3.42Å; Y149-Q153 PolarHBondContact O-N 3.21Å; Y149-Q153 PolarHBondContact OH-NE2 2.91Å; Y149-P162 HydrophobicContact CE1-CB 4.3Å; Y149-P162 VanDerWaalsContact OH-CA 3.26Å; Y149-P162 WeakPolarHBondContact OH-CA 3.25Å
150R80.6Confident73.8Confident178 Ų17886 Ų8667%0.67245%0.452SS*.Hα-helixtrans-59.6-31.6174.7-176.717459.1-163.7-6112.6S146 L148S146-R150 PolarHBondContact O-N 3.25Å; L148-R150 PolarHBondContact O-N 3.44Å
151H82.3Confident72.2Confident21 Ų2186.1 Ų86.110%0.09746%0.464CS..Hα-helixtrans-76.4-37.4175.8171.559.6000113C138 Y142 S147 L148 Y149 Q153 T154 H155C138-H151 PolarHBondContact SG-NE2 2.95Å; Y142-H151 HydrophobicContact CE1-CB 4.08Å; Y142-H151 HydrophobicContact CE2-CB 4.01Å; Y142-H151 AromaticContact CE2-CD2 3.25Å; Y142-H151 WeakPolarHBondContact CE2-CD2 3.49Å; Y142-H151 AromaticContact CE2-CG 3.71Å; Y142-H151 AromaticContact CZ-CD2 3.39Å; Y142-H151 AromaticContact CZ-CG 3.37Å; Y142-H151 PolarHBondContact OH-CD2 3.49Å; Y142-H151 PolarHBondContact OH-CE1 3.28Å; Y142-H151 PolarHBondContact OH-ND1 3.39Å; Y142-H151 VanDerWaalsContact OH-ND1 3.16Å; Y142-H151 PolarHBondContact OH-NE2 2.89Å; S147-H151 WeakPolarHBondContact O-CB 3.5Å; S147-H151 PolarHBondContact O-N 2.81Å; S147-H151 VanDerWaalsContact O-N 3.14Å; L148-H151 CarbonylContact O-C 3.51Å; L148-H151 WeakPolarHBondContact O-CA 3.39Å; L148-H151 WeakPolarHBondContact O-CB 3.44Å; L148-H151 PolarHBondContact O-N 3.29Å; Y149-H151 PolarHBondContact O-N 3.47Å; H151-Q153 PolarHBondContact O-N 3.34Å; H151-T154 PolarHBondContact ND1-OG1 3.34Å; H151-T154 WeakPolarHBondContact O-CB 3.38Å; H151-T154 PolarHBondContact O-N 2.99Å; H151-T154 PolarHBondContact O-OG1 3.2Å; H151-H155 AromaticContact CE1-NE2 3.28Å; H151-H155 PolarHBondContact CE1-NE2 3.23Å; H151-H155 VanDerWaalsContact CE1-NE2 3.28Å; H151-H155 AromaticContact NE2-CD2 3.89Å; H151-H155 AromaticContact NE2-NE2 3.14Å; H151-H155 PolarHBondContact NE2-NE2 2.97Å; H151-H155 VanDerWaalsContact NE2-NE2 3.14Å
152Q81.1Confident70.3Confident51 Ų5183.1 Ų83.124%0.23847%0.465CS..Hα-helixtrans-61.3-36.8173-76.2171.1-3100111.2L148 Y149 T154 H155 T156L148-Q152 HydrophobicContact CG-CG 4.28Å; L148-Q152 PolarHBondContact O-N 2.99Å; Y149-Q152 PolarHBondContact O-N 3.49Å; Y149-Q152 VanDerWaalsContact O-N 3.13Å; Q152-T154 PolarHBondContact O-N 3.17Å; Q152-T154 VanDerWaalsContact O-N 3.08Å; Q152-H155 WeakPolarHBondContact O-CB 3.4Å; Q152-H155 PolarHBondContact O-N 3.36Å; Q152-T156 PolarHBondContact O-N 3.49Å; Q152-T156 PolarHBondContact O-OG1 3Å
153Q81.8Confident68.2Low54 Ų5486.2 Ų86.225%0.25249%0.491SS..Hα-helixtrans-63.3-12172.6-64.6-64.6-7.700114.5Y149 H151 T156Y149-Q153 HydrophobicContact CD1-CG 4.48Å; Y149-Q153 HydrophobicContact CE1-CG 4.17Å; Y149-Q153 VanDerWaalsContact O-CG 3.3Å; Y149-Q153 WeakPolarHBondContact O-CG 3.42Å; Y149-Q153 PolarHBondContact O-N 3.21Å; Y149-Q153 PolarHBondContact OH-NE2 2.91Å; H151-Q153 PolarHBondContact O-N 3.34Å; Q153-T156 PolarHBondContact OE1-OG1 3.5Å
154T73.9Confident66.3Low95 Ų9586.4 Ų86.458%0.58350%0.498SS*.Hα-helixtrans-87.9-18.617265.40000113.4H151 Q152H151-T154 PolarHBondContact ND1-OG1 3.34Å; H151-T154 WeakPolarHBondContact O-CB 3.38Å; H151-T154 PolarHBondContact O-N 2.99Å; H151-T154 PolarHBondContact O-OG1 3.2Å; Q152-T154 PolarHBondContact O-N 3.17Å; Q152-T154 VanDerWaalsContact O-N 3.08Å
155H73.6Confident64.2Low76 Ų7687.8 Ų87.835%0.35252%0.515SS..Hα-helixtrans-84.4-43.5172.4-66.5-66.9000111C135 Y137 C138 H151 Q152 G157C135-H155 PolarHBondContact SG-CD2 3.44Å; C135-H155 PolarHBondContact SG-NE2 3.46Å; C135-H155 VanDerWaalsContact SG-NE2 3.44Å; Y137-H155 HydrophobicContact CD2-CB 4.21Å; Y137-H155 HydrophobicContact CG-CB 4.22Å; C138-H155 VanDerWaalsContact SG-CE1 3.55Å; C138-H155 PolarHBondContact SG-NE2 3.17Å; H151-H155 AromaticContact CE1-NE2 3.28Å; H151-H155 PolarHBondContact CE1-NE2 3.23Å; H151-H155 VanDerWaalsContact CE1-NE2 3.28Å; H151-H155 AromaticContact NE2-CD2 3.89Å; H151-H155 AromaticContact NE2-NE2 3.14Å; H151-H155 PolarHBondContact NE2-NE2 2.97Å; H151-H155 VanDerWaalsContact NE2-NE2 3.14Å; Q152-H155 WeakPolarHBondContact O-CB 3.4Å; Q152-H155 PolarHBondContact O-N 3.36Å; H155-G157 VanDerWaalsContact C-N 3.27Å; H155-G157 PolarHBondContact O-N 3.34Å
156T64.1Low62.8Low61 Ų6195 Ų9537%0.37454%0.537SS..THydrogen-bonded Turntrans-83.175.4172.456.10000108.2Q152 Q153 R158Q152-T156 PolarHBondContact O-N 3.49Å; Q152-T156 PolarHBondContact O-OG1 3Å; Q153-T156 PolarHBondContact OE1-OG1 3.5Å; T156-R158 PolarHBondContact O-N 3.02Å
157G49.4Very low60.9Low61 Ų61102.1 Ų102.163%0.62955%0.551SS**THydrogen-bonded Turntrans-38.195.1-173.900000113.7H155 T159H155-G157 VanDerWaalsContact C-N 3.27Å; H155-G157 PolarHBondContact O-N 3.34Å; G157-T159 PolarHBondContact O-N 3.06Å
158R52.9Low58.8Low236 Ų236106.9 Ų106.989%0.89158%0.578SS**THydrogen-bonded Turntrans31.870169.2-157.8-179.2171.2-167.6-8115.8T156T156-R158 PolarHBondContact O-N 3.02Å
159T44.4Very low56.8Low126 Ų126113.4 Ų113.477%0.77361%0.613SS**  trans-151.2103158.145.80000110.1G157G157-T159 PolarHBondContact O-N 3.06Å
160G40.7Very low54.6Low50 Ų50118 Ų11852%0.51564%0.637SS.*  trans148.5124.5169.800000114.1
161P47.9Very low53.5Low117 Ų117114.3 Ų114.376%0.7664%0.636SS**PPolyproline II helixtrans-77.2161.9170.632.6-30.6000111.4
162P45Very low51.3Low90 Ų90119.2 Ų119.258%0.58467%0.673SS**PPolyproline II helixtrans-68.9152.3178.529.6-34.2000112.7Y149 A164Y149-P162 HydrophobicContact CE1-CB 4.3Å; Y149-P162 VanDerWaalsContact OH-CA 3.26Å; Y149-P162 WeakPolarHBondContact OH-CA 3.25Å; P162-A164 PolarHBondContact O-N 3.28Å
163P39.4Very low49.7Very low118 Ų118125 Ų12577%0.76670%0.699SS**PPolyproline II helixtrans-64.5124.3171.727-31.8000109.5
164A40.6Very low48.2Very low91 Ų91127.7 Ų127.775%0.75272%0.722SS**PPolyproline II helixtrans-75125.917900000110.6P162P162-A164 PolarHBondContact O-N 3.28Å
165T38.8Very low47Very low143 Ų143127.7 Ų127.788%0.87772%0.718SS**PPolyproline II helixtrans-68.1126.5146.546.60000106.9R167T165-R167 PolarHBondContact O-N 3.08Å
166K48.7Very low45.9Very low201 Ų201127.9 Ų127.987%0.87473%0.733SS**SBendtrans-50124.6-173.5-63171.9177.8177.70111.6
167R42.1Very low45.6Very low236 Ų236131.1 Ų131.189%0.89174%0.738SS**  -175.2133.6120.5-100.1171.2-179.2-178.90.6111.5T165T165-R167 PolarHBondContact O-N 3.08Å
168T39.4Very low46.3Very low134 Ų134133.4 Ų133.482%0.82273%0.728SS**  trans97.3127.5157.4-28.90000117.9
169L44.7Very low46.9Very low159 Ų159124.8 Ų124.883%0.83271%0.708SS**  trans-37.5139.8-171.6-82.263.8000118.1
170E35.3Very low48.3Very low179 Ų179119 Ų11984%0.83667%0.672SS**  trans45.7141.6145.4-80.1-74.1108.400122.6
171P56.8Low49.3Very low102 Ų102121.7 Ų121.766%0.66268%0.681SS**  trans-96.8134.1-169.812.68.8000113.6
172S36.8Very low49.8Very low123 Ų123122.6 Ų122.686%0.8668%0.675SS**  trans-139.6104.7154.6-166.10000109.6
173H47.5Very low50.6Low173 Ų173121.2 Ų121.280%0.80167%0.667SS**  trans-62.6153.9165.7-89.3-56.6000109.8
174P49.5Very low51.7Low111 Ų111118.3 Ų118.372%0.72166%0.658SS**SBendcis-141.6154.244.736.4-16.2000115.7A176P174-A176 PolarHBondContact O-N 3.17Å
175D50.5Low52.9Low95 Ų95119.5 Ų119.551%0.50865%0.649SS.*  trans29.261.2162.2-158.625.6000115.4R177D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 3.5Å; D175-R177 IonicContact OD2-CZ 3.3Å; D175-R177 VanDerWaalsContact OD2-CZ 3.3Å; D175-R177 IonicContact OD2-NE 2.87Å; D175-R177 PolarHBondContact OD2-NE 3.37Å; D175-R177 IonicContact OD2-NH2 2.85Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å
176A50Low54.5Low80 Ų80115.6 Ų115.666%0.66163%0.628SS**  trans-68.287.4179.100000109.4P174 Y178P174-A176 PolarHBondContact O-N 3.17Å; A176-Y178 PolarHBondContact O-N 3.31Å
177R57Low55.9Low128 Ų128107.6 Ų107.648%0.48359%0.594SS.*  trans-78.5120.4172.2-57.3-176.2-172.3170.97.9107.7D175 A179 S186 F187D175-R177 VanDerWaalsContact C-N 3.26Å; D175-R177 PolarHBondContact O-N 3.5Å; D175-R177 IonicContact OD2-CZ 3.3Å; D175-R177 VanDerWaalsContact OD2-CZ 3.3Å; D175-R177 IonicContact OD2-NE 2.87Å; D175-R177 PolarHBondContact OD2-NE 3.37Å; D175-R177 IonicContact OD2-NH2 2.85Å; D175-R177 PolarHBondContact OD2-NH2 3.08Å; R177-A179 PolarHBondContact O-N 2.89Å; R177-S186 WeakPolarHBondContact CD-OG 3.33Å; R177-F187 CarbonylContact C-O 3.58Å; R177-F187 VanDerWaalsContact CA-O 3.29Å; R177-F187 WeakPolarHBondContact CA-O 3.34Å
178Y64.1Low57.5Low109 Ų109104.5 Ų104.543%0.42759%0.586SS.*EExtended strand (participates in β ladder)trans-68100.1175-66.3-89.6000108.5A176 F187 G189 L193A176-Y178 PolarHBondContact O-N 3.31Å; Y178-F187 PolarHBondContact N-O 3.42Å; Y178-F187 WeakPolarHBondContact O-CD2 3.25Å; Y178-F187 PolarHBondContact O-N 3.01Å; Y178-G189 VanDerWaalsContact CD2-C 3.45Å; Y178-G189 VanDerWaalsContact CD2-CA 3.45Å; Y178-L193 HydrophobicContact CD1-CD2 4.4Å; Y178-L193 HydrophobicContact CG-CD2 4.5Å
179A65.4Low59.5Low56 Ų5699.1 Ų99.146%0.46356%0.557SS.*EExtended strand (participates in β ladder)trans-81.4139.4179.900000110.8R177 M185R177-A179 PolarHBondContact O-N 2.89Å; A179-M185 CarbonylContact C-O 3.6Å; A179-M185 WeakPolarHBondContact CA-O 3.37Å
180C74.7Confident60.8Low3 Ų395.1 Ų95.12%0.0254%0.543CS..  trans-76.8124.8172.3-177.80000110.7H182 C183 G184 M185 F187 L193 H196 H200C180-H182 PolarHBondContact O-N 3.03Å; C180-H182 PolarHBondContact SG-N 3.01Å; C180-H182 VanDerWaalsContact SG-N 3.42Å; C180-C183 PolarHBondContact O-N 3.44Å; C180-G184 VanDerWaalsContact O-CA 3.3Å; C180-G184 WeakPolarHBondContact O-CA 3.46Å; C180-G184 PolarHBondContact O-N 3.26Å; C180-M185 PolarHBondContact N-O 3.05Å; C180-F187 HydrophobicContact CB-CE2 4.4Å; C180-L193 HydrophobicContact CB-CD1 3.93Å; C180-H196 VanDerWaalsContact CB-CD2 3.45Å; C180-H196 WeakPolarHBondContact CB-CD2 3.44Å; C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.49Å; C180-H196 VanDerWaalsContact SG-CD2 3.53Å; C180-H196 PolarHBondContact SG-NE2 3.3Å; C180-H200 PolarHBondContact SG-CD2 3.41Å; C180-H200 PolarHBondContact SG-NE2 3.08Å
181P61.7Low62.7Low108 Ų10897.3 Ų97.370%0.70154%0.543SS*.THydrogen-bonded Turntrans-64.5-19.9177.525.7-34.6000113.5L197P181-L197 HydrophobicContact CG-CD2 4.39Å
182H57.3Low63.4Low135 Ų13597.4 Ų97.463%0.62554%0.536SS*.THydrogen-bonded Turntrans-92.3-23.8-177.7-62.9-62.6000114.7C180 H200C180-H182 PolarHBondContact O-N 3.03Å; C180-H182 PolarHBondContact SG-N 3.01Å; C180-H182 VanDerWaalsContact SG-N 3.42Å; H182-H200 AromaticContact CD2-CG 3.92Å
183C62.8Low65.4Low62 Ų6292.6 Ų92.642%0.41950%0.501SS..THydrogen-bonded Turntrans-141.85.3-177.9690000115.1C180 M185 H196 H200C180-C183 PolarHBondContact O-N 3.44Å; C183-M185 PolarHBondContact O-N 3.13Å; C183-H196 PolarHBondContact SG-CE1 3.16Å; C183-H196 PolarHBondContact SG-NE2 3.35Å; C183-H200 PolarHBondContact SG-NE2 2.93Å; C183-H200 VanDerWaalsContact SG-NE2 3.45Å
184G61.5Low66.5Low57 Ų5785.8 Ų85.859%0.58848%0.478SS*.  trans67.93.6176.400000115.2C180 S186C180-G184 VanDerWaalsContact O-CA 3.3Å; C180-G184 WeakPolarHBondContact O-CA 3.46Å; C180-G184 PolarHBondContact O-N 3.26Å; G184-S186 PolarHBondContact O-N 3.39Å
185M65.9Low67.6Low115 Ų11582.4 Ų82.457%0.56746%0.457SS*.  trans-68.4128178.6-78.3-167.7162.400111.3A179 C180 C183 F187A179-M185 CarbonylContact C-O 3.6Å; A179-M185 WeakPolarHBondContact CA-O 3.37Å; C180-M185 PolarHBondContact N-O 3.05Å; C183-M185 PolarHBondContact O-N 3.13Å; M185-F187 HydrophobicContact CB-CE2 3.6Å; M185-F187 HydrophobicContact CB-CZ 3.69Å; M185-F187 VanDerWaalsContact O-CD2 3.31Å; M185-F187 WeakPolarHBondContact O-CD2 3.32Å; M185-F187 VanDerWaalsContact O-CE2 3.23Å; M185-F187 WeakPolarHBondContact O-CE2 3.2Å; M185-F187 HydrophobicContact SD-CZ 4.34Å
186S72.9Confident68.8Low61 Ų6179 Ų7943%0.42744%0.437SS..EExtended strand (participates in β ladder)trans-96.7123.2-175.774.70000111.7R177 G184R177-S186 WeakPolarHBondContact CD-OG 3.33Å; G184-S186 PolarHBondContact O-N 3.39Å
187F77.6Confident69.7Low34 Ų3478 Ų7815%0.14942%0.421CS..EExtended strand (participates in β ladder)trans-114.6145.2-176.8-61.2-83.1000112.2R177 Y178 C180 M185 G189 M192 L193 H196R177-F187 CarbonylContact C-O 3.58Å; R177-F187 VanDerWaalsContact CA-O 3.29Å; R177-F187 WeakPolarHBondContact CA-O 3.34Å; Y178-F187 PolarHBondContact N-O 3.42Å; Y178-F187 WeakPolarHBondContact O-CD2 3.25Å; Y178-F187 PolarHBondContact O-N 3.01Å; C180-F187 HydrophobicContact CB-CE2 4.4Å; M185-F187 HydrophobicContact CB-CE2 3.6Å; M185-F187 HydrophobicContact CB-CZ 3.69Å; M185-F187 VanDerWaalsContact O-CD2 3.31Å; M185-F187 WeakPolarHBondContact O-CD2 3.32Å; M185-F187 VanDerWaalsContact O-CE2 3.23Å; M185-F187 WeakPolarHBondContact O-CE2 3.2Å; M185-F187 HydrophobicContact SD-CZ 4.34Å; F187-G189 PolarHBondContact O-N 3.2Å; F187-G189 VanDerWaalsContact O-N 3.09Å; F187-M192 HydrophobicContact CB-CB 4.05Å; F187-M192 HydrophobicContact CB-CE 4.31Å; F187-M192 HydrophobicContact CD1-CB 4.26Å; F187-M192 HydrophobicContact CD1-CE 3.87Å; F187-M192 HydrophobicContact CG-CB 4.41Å; F187-L193 HydrophobicContact CB-CB 4.45Å; F187-L193 HydrophobicContact CD2-CB 4.39Å; F187-L193 HydrophobicContact CD2-CD1 3.89Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; F187-H196 HydrophobicContact CD2-CB 4.43Å; F187-H196 HydrophobicContact CE1-CB 4.22Å; F187-H196 HydrophobicContact CE2-CB 3.81Å; F187-H196 AromaticContact CE2-CD2 3.35Å; F187-H196 WeakPolarHBondContact CE2-CD2 2.97Å; F187-H196 AromaticContact CE2-CE1 3.97Å; F187-H196 AromaticContact CE2-CG 3.36Å; F187-H196 AromaticContact CE2-ND1 3.78Å; F187-H196 AromaticContact CE2-NE2 3.74Å; F187-H196 HydrophobicContact CZ-CB 3.7Å; F187-H196 AromaticContact CZ-CD2 3.75Å; F187-H196 AromaticContact CZ-CE1 3.72Å; F187-H196 AromaticContact CZ-CG 3.29Å; F187-H196 AromaticContact CZ-ND1 3.3Å; F187-H196 VanDerWaalsContact CZ-ND1 3.3Å; F187-H196 WeakPolarHBondContact CZ-ND1 3.15Å; F187-H196 AromaticContact CZ-NE2 3.98Å
188K76.6Confident70.1Confident171 Ų17179.3 Ų79.374%0.74343%0.426SS*.SBendtrans-75.49.3-177.4-66.3-174.1177.2-176.20115
189G79.9Confident69.9Low20 Ų2079.1 Ų79.121%0.20643%0.431CS..SBendtrans-177.5149.6179.700000114Y178 F187 R191 M192 L193Y178-G189 VanDerWaalsContact CD2-C 3.45Å; Y178-G189 VanDerWaalsContact CD2-CA 3.45Å; F187-G189 PolarHBondContact O-N 3.2Å; F187-G189 VanDerWaalsContact O-N 3.09Å; G189-R191 VanDerWaalsContact C-N 3.31Å; G189-R191 PolarHBondContact O-N 3.32Å; G189-M192 WeakPolarHBondContact O-CB 3.23Å; G189-M192 PolarHBondContact O-N 3.35Å; G189-L193 PolarHBondContact O-N 3.41Å
190S73.7Confident69.8Low76 Ų7679.6 Ų79.653%0.53142%0.424SS..Hα-helixtrans-56.8-37.2-178.5176.60000113.2M192 L193 G194S190-M192 VanDerWaalsContact C-N 3.32Å; S190-M192 PolarHBondContact O-N 3Å; S190-L193 PolarHBondContact O-N 3.01Å; S190-G194 PolarHBondContact O-N 3.39Å
191R74.4Confident69Low225 Ų22581.7 Ų81.785%0.84945%0.446SS*.Hα-helixtrans-61.7-36.5175.2-176.8175.7179.5144.81.4113.5G189 S195G189-R191 VanDerWaalsContact C-N 3.31Å; G189-R191 PolarHBondContact O-N 3.32Å; R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 2.59Å; R191-S195 VanDerWaalsContact O-N 3.12Å; R191-S195 PolarHBondContact O-OG 3.43Å
192M71.9Confident68.6Low103 Ų10386.2 Ų86.251%0.50746%0.455SS..Hα-helixtrans-74.1-42.1176.8-74.3174.846.500110.6F187 G189 S190 S195 H196F187-M192 HydrophobicContact CB-CB 4.05Å; F187-M192 HydrophobicContact CB-CE 4.31Å; F187-M192 HydrophobicContact CD1-CB 4.26Å; F187-M192 HydrophobicContact CD1-CE 3.87Å; F187-M192 HydrophobicContact CG-CB 4.41Å; G189-M192 WeakPolarHBondContact O-CB 3.23Å; G189-M192 PolarHBondContact O-N 3.35Å; S190-M192 VanDerWaalsContact C-N 3.32Å; S190-M192 PolarHBondContact O-N 3Å; M192-S195 PolarHBondContact O-N 2.99Å; M192-H196 WeakPolarHBondContact O-CB 3.35Å; M192-H196 PolarHBondContact O-N 3.2Å
193L77.5Confident68.2Low22 Ų2290.1 Ų90.112%0.11546%0.464CS..Hα-helixtrans-61-46.2173.3178.465.3000111.2Y178 C180 F187 G189 S190 S195 H196 L197Y178-L193 HydrophobicContact CD1-CD2 4.4Å; Y178-L193 HydrophobicContact CG-CD2 4.5Å; C180-L193 HydrophobicContact CB-CD1 3.93Å; F187-L193 HydrophobicContact CB-CB 4.45Å; F187-L193 HydrophobicContact CD2-CB 4.39Å; F187-L193 HydrophobicContact CD2-CD1 3.89Å; F187-L193 HydrophobicContact CE2-CD1 4.32Å; G189-L193 PolarHBondContact O-N 3.41Å; S190-L193 PolarHBondContact O-N 3.01Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; L193-H196 CarbonylContact O-C 3.6Å; L193-H196 WeakPolarHBondContact O-CA 3.28Å; L193-H196 WeakPolarHBondContact O-CB 3.35Å; L193-H196 PolarHBondContact O-N 2.74Å; L193-L197 HydrophobicContact CD1-CD1 4.21Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.82Å; L193-L197 HydrophobicContact CG-CG 4.13Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.37Å
194G71.2Confident67.9Low31 Ų3192.6 Ų92.632%0.3246%0.464SS..Hα-helixtrans-62.7-35.7177.600000113.1S190 H196 R198S190-G194 PolarHBondContact O-N 3.39Å; G194-H196 VanDerWaalsContact C-N 3.33Å; G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 2.93Å; G194-R198 PolarHBondContact O-NE 3.16Å
195S72.4Confident67.8Low40 Ų4095.7 Ų95.728%0.2847%0.466SS..Hα-helixtrans-67.9-35.1171.8-57.40000112.6R191 M192 L193 R198R191-S195 WeakPolarHBondContact O-CB 3.47Å; R191-S195 PolarHBondContact O-N 2.59Å; R191-S195 VanDerWaalsContact O-N 3.12Å; R191-S195 PolarHBondContact O-OG 3.43Å; M192-S195 PolarHBondContact O-N 2.99Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 3.29Å; S195-R198 PolarHBondContact OG-NH2 3.31Å
196H75.1Confident67.8Low22 Ų2293 Ų9310%0.10245%0.452CS..Hα-helixtrans-74.1-38.1175.9171.880.4000112.8C180 C183 F187 M192 L193 G194 R198 L199 H200C180-H196 VanDerWaalsContact CB-CD2 3.45Å; C180-H196 WeakPolarHBondContact CB-CD2 3.44Å; C180-H196 VanDerWaalsContact CB-NE2 3.26Å; C180-H196 WeakPolarHBondContact CB-NE2 3.49Å; C180-H196 VanDerWaalsContact SG-CD2 3.53Å; C180-H196 PolarHBondContact SG-NE2 3.3Å; C183-H196 PolarHBondContact SG-CE1 3.16Å; C183-H196 PolarHBondContact SG-NE2 3.35Å; F187-H196 HydrophobicContact CD2-CB 4.43Å; F187-H196 HydrophobicContact CE1-CB 4.22Å; F187-H196 HydrophobicContact CE2-CB 3.81Å; F187-H196 AromaticContact CE2-CD2 3.35Å; F187-H196 WeakPolarHBondContact CE2-CD2 2.97Å; F187-H196 AromaticContact CE2-CE1 3.97Å; F187-H196 AromaticContact CE2-CG 3.36Å; F187-H196 AromaticContact CE2-ND1 3.78Å; F187-H196 AromaticContact CE2-NE2 3.74Å; F187-H196 HydrophobicContact CZ-CB 3.7Å; F187-H196 AromaticContact CZ-CD2 3.75Å; F187-H196 AromaticContact CZ-CE1 3.72Å; F187-H196 AromaticContact CZ-CG 3.29Å; F187-H196 AromaticContact CZ-ND1 3.3Å; F187-H196 VanDerWaalsContact CZ-ND1 3.3Å; F187-H196 WeakPolarHBondContact CZ-ND1 3.15Å; F187-H196 AromaticContact CZ-NE2 3.98Å; M192-H196 WeakPolarHBondContact O-CB 3.35Å; M192-H196 PolarHBondContact O-N 3.2Å; L193-H196 CarbonylContact O-C 3.6Å; L193-H196 WeakPolarHBondContact O-CA 3.28Å; L193-H196 WeakPolarHBondContact O-CB 3.35Å; L193-H196 PolarHBondContact O-N 2.74Å; G194-H196 VanDerWaalsContact C-N 3.33Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 2.81Å; H196-L199 WeakPolarHBondContact O-CA 3.45Å; H196-L199 WeakPolarHBondContact O-CB 3.3Å; H196-L199 PolarHBondContact O-N 2.74Å; H196-H200 AromaticContact CD2-CD2 3.93Å; H196-H200 AromaticContact CD2-NE2 3.79Å; H196-H200 AromaticContact CE1-NE2 3.55Å; H196-H200 AromaticContact NE2-CD2 3.61Å; H196-H200 AromaticContact NE2-NE2 3.01Å; H196-H200 PolarHBondContact NE2-NE2 3.48Å
197L69.2Low67.6Low61 Ų6193.1 Ų93.132%0.31945%0.451SS..Hα-helixtrans-64.4-31.9175.5-75.1171.5000112P181 L193 L199 H200 G201P181-L197 HydrophobicContact CG-CD2 4.39Å; L193-L197 HydrophobicContact CD1-CD1 4.21Å; L193-L197 HydrophobicContact CD1-CG 4.05Å; L193-L197 HydrophobicContact CD2-CD1 4.2Å; L193-L197 HydrophobicContact CG-CD1 3.82Å; L193-L197 HydrophobicContact CG-CG 4.13Å; L193-L197 WeakPolarHBondContact O-CB 3.49Å; L193-L197 WeakPolarHBondContact O-CG 3.47Å; L193-L197 PolarHBondContact O-N 3.37Å; L197-L199 PolarHBondContact O-N 3.35Å; L197-H200 WeakPolarHBondContact O-CB 3.31Å; L197-H200 PolarHBondContact O-N 2.89Å; L197-G201 PolarHBondContact O-N 3.29Å
198R67.1Low67.9Low155 Ų15591.6 Ų91.659%0.58545%0.445SS*.Hα-helixtrans-62.5-16.1168.7-74.6-176.8-70.6-152.3-0.5114.1G194 S195 H196G194-R198 WeakPolarHBondContact O-CG 3.46Å; G194-R198 PolarHBondContact O-N 2.93Å; G194-R198 PolarHBondContact O-NE 3.16Å; S195-R198 PolarHBondContact OG-NH2 3.31Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 2.81Å
199L59Low67.8Low104 Ų10490.4 Ų90.455%0.54545%0.446SS..Hα-helixtrans-83.7-24172.1-54.3174000112.2H196 L197 N216H196-L199 WeakPolarHBondContact O-CA 3.45Å; H196-L199 WeakPolarHBondContact O-CB 3.3Å; H196-L199 PolarHBondContact O-N 2.74Å; L197-L199 PolarHBondContact O-N 3.35Å; L199-N216 WeakPolarHBondContact CD2-ND2 3.48Å
200H63.8Low67.6Low67 Ų6794.4 Ų94.431%0.3146%0.462SS..Hα-helixtrans-82.3-36174.4-69.7-67.6000111.8C180 H182 C183 H196 L197 K202C180-H200 PolarHBondContact SG-CD2 3.41Å; C180-H200 PolarHBondContact SG-NE2 3.08Å; H182-H200 AromaticContact CD2-CG 3.92Å; C183-H200 PolarHBondContact SG-NE2 2.93Å; C183-H200 VanDerWaalsContact SG-NE2 3.45Å; H196-H200 AromaticContact CD2-CD2 3.93Å; H196-H200 AromaticContact CD2-NE2 3.79Å; H196-H200 AromaticContact CE1-NE2 3.55Å; H196-H200 AromaticContact NE2-CD2 3.61Å; H196-H200 AromaticContact NE2-NE2 3.01Å; H196-H200 PolarHBondContact NE2-NE2 3.48Å; L197-H200 WeakPolarHBondContact O-CB 3.31Å; L197-H200 PolarHBondContact O-N 2.89Å; H200-K202 PolarHBondContact O-N 3.02Å
201G56.4Low67.9Low46 Ų4693.3 Ų93.347%0.47445%0.454SS..SBendtrans-68.996.8168.400000110.3L197 R203L197-G201 PolarHBondContact O-N 3.29Å; G201-R203 PolarHBondContact O-N 2.82Å
202K54.7Low67.6Low204 Ų20485.3 Ų85.389%0.88744%0.441SS*.  trans-62.873.2169.5-66.6175.3-177.2174.10110.6H200H200-K202 PolarHBondContact O-N 3.02Å
203R48.7Very low67.6Low216 Ų21686.3 Ų86.382%0.81544%0.443SS*.  trans-135.498.6159.6-81.1-173.5136.4-174.1-5.8106.6G201 I205G201-R203 PolarHBondContact O-N 2.82Å; R203-I205 HydrophobicContact CB-CG1 4.31Å; R203-I205 WeakPolarHBondContact O-CG1 3.44Å; R203-I205 PolarHBondContact O-N 2.98Å
204R55.7Low67.4Low114 Ų11489.3 Ų89.343%0.4346%0.456SS..  trans-82.695.7172.5-62.8160.6145.8-163.5-5.6106.1H206 E214R204-H206 VanDerWaalsContact C-N 3.32Å; R204-H206 PolarHBondContact O-N 3.23Å; R204-E214 HydrophobicContact CB-CB 3.44Å; R204-E214 VanDerWaalsContact CB-CB 3.44Å; R204-E214 HydrophobicContact CB-CG 4.28Å; R204-E214 WeakPolarHBondContact CD-OE2 3.3Å; R204-E214 HydrophobicContact CG-CB 4.2Å; R204-E214 IonicContact CZ-OE2 3.66Å; R204-E214 IonicContact NE-OE2 3.73Å; R204-E214 IonicContact NH1-OE2 2.79Å; R204-E214 PolarHBondContact NH1-OE2 2.7Å
205I59.9Low67.6Low122 Ų12289.8 Ų89.863%0.62645%0.449SS*.  trans-78.4-17.6-164.6-57.1168.7000112.3R203 P207R203-I205 HydrophobicContact CB-CG1 4.31Å; R203-I205 WeakPolarHBondContact O-CG1 3.44Å; R203-I205 PolarHBondContact O-N 2.98Å; I205-P207 VanDerWaalsContact C-CD 3.5Å; I205-P207 WeakPolarHBondContact O-CD 3.46Å
206H66.9Low67.2Low60 Ų6091.5 Ų91.528%0.27846%0.456SS..EExtended strand (participates in β ladder)trans-116.281.9-172.9-56.6-60.2000112.4R204 E214 F215 S218 L221R204-H206 VanDerWaalsContact C-N 3.32Å; R204-H206 PolarHBondContact O-N 3.23Å; H206-E214 CarbonylContact O-C 3.46Å; H206-E214 WeakPolarHBondContact O-CA 3.26Å; H206-F215 HydrophobicContact CB-CB 4.31Å; H206-F215 WeakPolarHBondContact CB-O 3.47Å; H206-F215 PolarHBondContact N-O 3.25Å; H206-F215 PolarHBondContact O-N 3.1Å; H206-S218 PolarHBondContact CD2-N 3.26Å; H206-S218 VanDerWaalsContact CD2-N 3.28Å; H206-S218 PolarHBondContact NE2-N 3.1Å; H206-L221 HydrophobicContact CB-CB 4.17Å; H206-L221 HydrophobicContact CB-CD1 3.97Å; H206-L221 VanDerWaalsContact O-CD1 3.29Å; H206-L221 WeakPolarHBondContact O-CD1 3.49Å
207P68.7Low67Low63 Ų6395.1 Ų95.141%0.40947%0.472SS..EExtended strand (participates in β ladder)trans-71.4139.617130.4-33.8000111.1I205 K213 E214 L221I205-P207 VanDerWaalsContact C-CD 3.5Å; I205-P207 WeakPolarHBondContact O-CD 3.46Å; P207-K213 CarbonylContact C-O 3.56Å; P207-E214 HydrophobicContact CB-CG 4.31Å; P207-L221 VanDerWaalsContact C-CD1 3.44Å; P207-L221 WeakPolarHBondContact O-CD1 3.26Å
208C82.2Confident67.1Low1 Ų195.7 Ų95.71%0.00748%0.482CS..  trans-83.4114.9169.8179.50000109.8I210 C211 G212 K213 F215 L221 H224 H228C208-I210 PolarHBondContact O-N 3.39Å; C208-C211 PolarHBondContact O-N 3.04Å; C208-C211 VanDerWaalsContact O-N 3.14Å; C208-G212 WeakPolarHBondContact O-CA 3.44Å; C208-G212 PolarHBondContact O-N 3.49Å; C208-K213 WeakPolarHBondContact CB-O 3.28Å; C208-K213 PolarHBondContact N-O 3.05Å; C208-F215 HydrophobicContact CB-CE2 4.15Å; C208-L221 HydrophobicContact CB-CD1 4.2Å; C208-H224 VanDerWaalsContact SG-CD2 3.51Å; C208-H224 PolarHBondContact SG-NE2 2.94Å; C208-H228 PolarHBondContact SG-NE2 3.41Å
209N74.9Confident67.5Low146 Ų14691.6 Ų91.678%0.78148%0.477SS*.THydrogen-bonded Turntrans-61.2-12.1180-57.3-2.3000114.4
210I75.5Confident68.4Low105 Ų10588.4 Ų88.454%0.53846%0.463SS..THydrogen-bonded Turntrans-93.1-25.9-179.2-56.2170.7000112C208 H228C208-I210 PolarHBondContact O-N 3.39Å; I210-H228 HydrophobicContact CD1-CB 3.62Å; I210-H228 HydrophobicContact CG2-CB 4.09Å; I210-H228 WeakPolarHBondContact CG2-ND1 3.46Å
211C80.8Confident69.2Low53 Ų5386.5 Ų86.536%0.35846%0.455SS..THydrogen-bonded Turntrans-146.310.6-175.368.20000115C208 K213 H224 H228C208-C211 PolarHBondContact O-N 3.04Å; C208-C211 VanDerWaalsContact O-N 3.14Å; C211-K213 PolarHBondContact O-N 2.77Å; C211-K213 VanDerWaalsContact SG-CG 3.55Å; C211-H224 PolarHBondContact SG-NE2 2.75Å; C211-H228 VanDerWaalsContact SG-CE1 3.55Å; C211-H228 PolarHBondContact SG-NE2 3.25Å
212G68.8Low70.1Confident56 Ų5687.4 Ų87.458%0.57745%0.454SS*.  trans64.73.1-179.300000115.1C208 E214C208-G212 WeakPolarHBondContact O-CA 3.44Å; C208-G212 PolarHBondContact O-N 3.49Å; G212-E214 PolarHBondContact O-N 2.85Å
213K71.4Confident71.3Confident124 Ų12485.9 Ų85.954%0.53944%0.443SS..  trans-69.4123.1-179.9-72.1178.3-171.61760110.1P207 C208 C211 F215P207-K213 CarbonylContact C-O 3.56Å; C208-K213 WeakPolarHBondContact CB-O 3.28Å; C208-K213 PolarHBondContact N-O 3.05Å; C211-K213 PolarHBondContact O-N 2.77Å; C211-K213 VanDerWaalsContact SG-CG 3.55Å; K213-F215 HydrophobicContact CB-CE2 3.77Å; K213-F215 HydrophobicContact CB-CZ 3.97Å; K213-F215 VanDerWaalsContact O-CD2 3.27Å; K213-F215 WeakPolarHBondContact O-CD2 3.4Å; K213-F215 WeakPolarHBondContact O-CE2 3.47Å
214E72.3Confident72.9Confident85 Ų8576.8 Ų76.840%0.39741%0.409SS..EExtended strand (participates in β ladder)trans-97136.2-177.5-47.1172118.800111.1R204 H206 P207 G212R204-E214 HydrophobicContact CB-CB 3.44Å; R204-E214 VanDerWaalsContact CB-CB 3.44Å; R204-E214 HydrophobicContact CB-CG 4.28Å; R204-E214 WeakPolarHBondContact CD-OE2 3.3Å; R204-E214 HydrophobicContact CG-CB 4.2Å; R204-E214 IonicContact CZ-OE2 3.66Å; R204-E214 IonicContact NE-OE2 3.73Å; R204-E214 IonicContact NH1-OE2 2.79Å; R204-E214 PolarHBondContact NH1-OE2 2.7Å; H206-E214 CarbonylContact O-C 3.46Å; H206-E214 WeakPolarHBondContact O-CA 3.26Å; P207-E214 HydrophobicContact CB-CG 4.31Å; G212-E214 PolarHBondContact O-N 2.85Å
215F76.5Confident73.9Confident41 Ų4177.6 Ų77.618%0.1841%0.413CS..EExtended strand (participates in β ladder)trans-119.2145.7-177.3-62.2-89.9000110.8H206 C208 K213 H217 L221 H224H206-F215 HydrophobicContact CB-CB 4.31Å; H206-F215 WeakPolarHBondContact CB-O 3.47Å; H206-F215 PolarHBondContact N-O 3.25Å; H206-F215 PolarHBondContact O-N 3.1Å; C208-F215 HydrophobicContact CB-CE2 4.15Å; K213-F215 HydrophobicContact CB-CE2 3.77Å; K213-F215 HydrophobicContact CB-CZ 3.97Å; K213-F215 VanDerWaalsContact O-CD2 3.27Å; K213-F215 WeakPolarHBondContact O-CD2 3.4Å; K213-F215 WeakPolarHBondContact O-CE2 3.47Å; F215-H217 VanDerWaalsContact C-N 3.35Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.88Å; F215-L221 HydrophobicContact CD2-CD1 4.03Å; F215-L221 HydrophobicContact CD2-CG 4.35Å; F215-L221 HydrophobicContact CG-CB 4.1Å; F215-H224 HydrophobicContact CE1-CB 3.85Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.24Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.28Å; F215-H224 AromaticContact CE2-CG 3.53Å; F215-H224 AromaticContact CE2-NE2 3.89Å; F215-H224 HydrophobicContact CZ-CB 3.39Å; F215-H224 AromaticContact CZ-CD2 3.33Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.45Å; F215-H224 AromaticContact CZ-CG 3.11Å; F215-H224 AromaticContact CZ-ND1 3.59Å; F215-H224 AromaticContact CZ-NE2 3.88Å
216N64.3Low74.9Confident77 Ų7777 Ų7741%0.41241%0.41SS..SBendtrans-79.4-20.2178.2-65.8-2.7000112.4L199L199-N216 WeakPolarHBondContact CD2-ND2 3.48Å
217H70.4Confident75.4Confident97 Ų9778.6 Ų78.645%0.44942%0.424SS..SBendtrans-132.3137.4-180-57.2155.9000111.1F215 S219 S220 L221F215-H217 VanDerWaalsContact C-N 3.35Å; H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 3.19Å; H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 3.21Å; H217-L221 PolarHBondContact O-N 2.84Å
218S70.6Confident75.7Confident74 Ų7477.9 Ų77.952%0.51742%0.415SS..Hα-helixtrans-56.2-36.3176.759.60000113.3H206 S220 L221 S222H206-S218 PolarHBondContact CD2-N 3.26Å; H206-S218 VanDerWaalsContact CD2-N 3.28Å; H206-S218 PolarHBondContact NE2-N 3.1Å; S218-S220 PolarHBondContact O-N 3.5Å; S218-L221 PolarHBondContact O-N 3.07Å; S218-S222 PolarHBondContact O-N 3.11Å
219S76.9Confident74.8Confident69 Ų6986.8 Ų86.848%0.48345%0.454SS..Hα-helixtrans-63.2-29.8175.660.90000113.4H217 R223H217-S219 VanDerWaalsContact C-N 3.25Å; H217-S219 PolarHBondContact O-N 3.19Å; S219-R223 PolarHBondContact O-N 3.36Å
220S76.5Confident74.2Confident37 Ų3789.1 Ų89.126%0.25946%0.457SS..Hα-helixtrans-79.4-38.6177.7-57.60000111.3H217 S218 H224H217-S220 WeakPolarHBondContact O-CB 3.42Å; H217-S220 PolarHBondContact O-N 3.21Å; S218-S220 PolarHBondContact O-N 3.5Å; S220-H224 VanDerWaalsContact O-CB 3.29Å; S220-H224 WeakPolarHBondContact O-CB 3.45Å; S220-H224 PolarHBondContact O-N 3.13Å
221L80.1Confident73.3Confident26 Ų2686.4 Ų86.414%0.13646%0.455CS..Hα-helixtrans-62.4-44.5171174.8125.4000111.4H206 P207 C208 F215 H217 S218 R223 H224 R225H206-L221 HydrophobicContact CB-CB 4.17Å; H206-L221 HydrophobicContact CB-CD1 3.97Å; H206-L221 VanDerWaalsContact O-CD1 3.29Å; H206-L221 WeakPolarHBondContact O-CD1 3.49Å; P207-L221 VanDerWaalsContact C-CD1 3.44Å; P207-L221 WeakPolarHBondContact O-CD1 3.26Å; C208-L221 HydrophobicContact CB-CD1 4.2Å; F215-L221 HydrophobicContact CB-CB 4.12Å; F215-L221 HydrophobicContact CD2-CB 3.88Å; F215-L221 HydrophobicContact CD2-CD1 4.03Å; F215-L221 HydrophobicContact CD2-CG 4.35Å; F215-L221 HydrophobicContact CG-CB 4.1Å; H217-L221 PolarHBondContact O-N 2.84Å; S218-L221 PolarHBondContact O-N 3.07Å; L221-R223 PolarHBondContact O-N 2.88Å; L221-H224 CarbonylContact O-C 3.57Å; L221-H224 WeakPolarHBondContact O-CA 3.37Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.32Å; L221-H224 VanDerWaalsContact O-N 3.08Å; L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CG 3.35Å; L221-R225 PolarHBondContact O-N 3.49Å
222S77.1Confident71.6Confident66 Ų6693.9 Ų93.946%0.46248%0.481SS..Hα-helixtrans-58.7-48.6178.3-175.90000111.5S218 H224 R225 L226S218-S222 PolarHBondContact O-N 3.11Å; S222-H224 VanDerWaalsContact C-N 3.26Å; S222-H224 PolarHBondContact O-N 2.8Å; S222-R225 PolarHBondContact O-N 3.43Å; S222-L226 WeakPolarHBondContact O-CD1 3.43Å; S222-L226 PolarHBondContact O-N 3.41Å
223R79.2Confident70.2Confident171 Ų17195.1 Ų95.165%0.64549%0.494SS*.Hα-helixtrans-60.3-36.9174-169.7-177.1-58116.34.4112.6S219 L221 L226S219-R223 PolarHBondContact O-N 3.36Å; L221-R223 PolarHBondContact O-N 2.88Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.41Å
224H82.4Confident68.5Low25 Ų2592.8 Ų92.812%0.11651%0.505CS..Hα-helixtrans-68.4-37.7177.9171.768000112.8C208 C211 F215 S220 L221 S222 L226 V227 H228C208-H224 VanDerWaalsContact SG-CD2 3.51Å; C208-H224 PolarHBondContact SG-NE2 2.94Å; C211-H224 PolarHBondContact SG-NE2 2.75Å; F215-H224 HydrophobicContact CE1-CB 3.85Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.24Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.28Å; F215-H224 AromaticContact CE2-CG 3.53Å; F215-H224 AromaticContact CE2-NE2 3.89Å; F215-H224 HydrophobicContact CZ-CB 3.39Å; F215-H224 AromaticContact CZ-CD2 3.33Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.45Å; F215-H224 AromaticContact CZ-CG 3.11Å; F215-H224 AromaticContact CZ-ND1 3.59Å; F215-H224 AromaticContact CZ-NE2 3.88Å; S220-H224 VanDerWaalsContact O-CB 3.29Å; S220-H224 WeakPolarHBondContact O-CB 3.45Å; S220-H224 PolarHBondContact O-N 3.13Å; L221-H224 CarbonylContact O-C 3.57Å; L221-H224 WeakPolarHBondContact O-CA 3.37Å; L221-H224 WeakPolarHBondContact O-CB 3.39Å; L221-H224 PolarHBondContact O-N 3.32Å; L221-H224 VanDerWaalsContact O-N 3.08Å; S222-H224 VanDerWaalsContact C-N 3.26Å; S222-H224 PolarHBondContact O-N 2.8Å; H224-L226 PolarHBondContact O-N 3.02Å; H224-V227 VanDerWaalsContact O-CB 3.27Å; H224-V227 WeakPolarHBondContact O-CB 3.23Å; H224-V227 PolarHBondContact O-N 3.28Å; H224-H228 AromaticContact CD2-NE2 3.83Å; H224-H228 AromaticContact CE1-NE2 3.41Å; H224-H228 PolarHBondContact CE1-NE2 3.26Å; H224-H228 AromaticContact NE2-CD2 3.7Å; H224-H228 AromaticContact NE2-CE1 4Å; H224-H228 AromaticContact NE2-NE2 2.98Å; H224-H228 PolarHBondContact NE2-NE2 2.94Å
225R77.3Confident66.8Low131 Ų13193 Ų9349%0.49452%0.521SS..Hα-helixtrans-61.8-29.9175.5-70.3176.390.8173.36.7112.6L221 S222 V227 H228 K229L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CG 3.35Å; L221-R225 PolarHBondContact O-N 3.49Å; S222-R225 PolarHBondContact O-N 3.43Å; R225-V227 PolarHBondContact O-N 2.99Å; R225-H228 PolarHBondContact O-N 3.22Å; R225-K229 PolarHBondContact O-N 3.2Å; R225-K229 VanDerWaalsContact O-N 3.13Å
226L80.6Confident64.9Low109 Ų109102.9 Ų102.957%0.57156%0.557SS**Hα-helixtrans-63.9-25.8173.3-86.177.3000112.9S222 R223 H224 K229 K230S222-L226 WeakPolarHBondContact O-CD1 3.43Å; S222-L226 PolarHBondContact O-N 3.41Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.41Å; H224-L226 PolarHBondContact O-N 3.02Å; L226-K229 PolarHBondContact O-N 3.4Å; L226-K230 PolarHBondContact O-N 3.49Å
227V76.3Confident63.3Low94 Ų94107.7 Ų107.757%0.5758%0.577SS**Hα-helixtrans-70.3-40.9176.6-175.70000110.5H224 R225 K230 G231H224-V227 VanDerWaalsContact O-CB 3.27Å; H224-V227 WeakPolarHBondContact O-CB 3.23Å; H224-V227 PolarHBondContact O-N 3.28Å; R225-V227 PolarHBondContact O-N 2.99Å; V227-K230 PolarHBondContact O-N 3.32Å; V227-G231 PolarHBondContact O-N 3.49Å
228H75.3Confident61.5Low48 Ų48107.3 Ų107.322%0.22259%0.591CS.*Hα-helixtrans-64.5-39.5173.7-66.3-58.3000112.3C208 I210 C211 H224 R225 K230 G231C208-H228 PolarHBondContact SG-NE2 3.41Å; I210-H228 HydrophobicContact CD1-CB 3.62Å; I210-H228 HydrophobicContact CG2-CB 4.09Å; I210-H228 WeakPolarHBondContact CG2-ND1 3.46Å; C211-H228 VanDerWaalsContact SG-CE1 3.55Å; C211-H228 PolarHBondContact SG-NE2 3.25Å; H224-H228 AromaticContact CD2-NE2 3.83Å; H224-H228 AromaticContact CE1-NE2 3.41Å; H224-H228 PolarHBondContact CE1-NE2 3.26Å; H224-H228 AromaticContact NE2-CD2 3.7Å; H224-H228 AromaticContact NE2-CE1 4Å; H224-H228 AromaticContact NE2-NE2 2.98Å; H224-H228 PolarHBondContact NE2-NE2 2.94Å; R225-H228 PolarHBondContact O-N 3.22Å; H228-K230 PolarHBondContact O-N 3.49Å; H228-G231 CarbonylContact O-C 3.57Å; H228-G231 PolarHBondContact O-N 3.38Å; H228-G231 VanDerWaalsContact O-O 3.12Å
229K64.8Low59.6Low189 Ų189112.1 Ų112.182%0.82261%0.606SS**Hα-helixtrans-65.4-25.4177.2-166.5173.5-179.3178.20112.9R225 L226R225-K229 PolarHBondContact O-N 3.2Å; R225-K229 VanDerWaalsContact O-N 3.13Å; L226-K229 PolarHBondContact O-N 3.4Å
230K62.1Low58.3Low195 Ų195113.6 Ų113.685%0.84861%0.613SS**Hα-helixtrans-96.5-14.2-179.3-164.3172.4178.7-1800113.7L226 V227 H228L226-K230 PolarHBondContact O-N 3.49Å; V227-K230 PolarHBondContact O-N 3.32Å; H228-K230 PolarHBondContact O-N 3.49Å
231G56.7Low56.1Low48 Ų48116.6 Ų116.650%0.49564%0.64SS.*SBendtrans-117.790.1173.300000110.5V227 H228V227-G231 PolarHBondContact O-N 3.49Å; H228-G231 CarbonylContact O-C 3.57Å; H228-G231 PolarHBondContact O-N 3.38Å; H228-G231 VanDerWaalsContact O-O 3.12Å
232K43.5Very low53.6Low209 Ų209120 Ų12091%0.90967%0.673SS**  trans-67.8132.4168.3-75.5-174.8173.4-175.70109.5
233G40.8Very low51.4Low82 Ų82121.3 Ų121.385%0.84569%0.687SS**  trans94.9118.9165.700000114.1
234G34.6Very low49.3Very low75 Ų75121.8 Ų121.877%0.77370%0.702SS**  cis-162.9155.55.100000110.3
235A37.4Very low46.9Very low89 Ų89130.9 Ų130.974%0.73674%0.735SS**  trans-55.6137.9163.400000109.7
236R35.8Very low44.9Very low250 Ų250132.5 Ų132.594%0.94375%0.748SS**  trans-123.8109144.1-83.2-166.3160.2-170.5-5.8106.9
237E30.4Very low42.6Very low177 Ų177137 Ų13783%0.82776%0.763SS**  trans-34.9135.3164.6-60.1-71.7119.400111.5
238A33.8Very low40.4Very low90 Ų90137.4 Ų137.474%0.74478%0.775SS**  trans-99.2120.6165.400000106.6
239E30.3Very low38.3Very low175 Ų175142 Ų14282%0.81881%0.807SS**  157.5174.8103.1-90.7-84.310500107.6
240P50.3Low36.9Very low99 Ų99137 Ų13764%0.64380%0.801SS**  cis-132.1171.9-28.626.7-5.8000115
241A29.9Very low35.6Very low100 Ų100139.3 Ų139.383%0.82680%0.804SS**  trans53.9115.5148.700000121.6
242A27.4Very low34.4Very low99 Ų99143.6 Ų143.682%0.81882%0.816SS**  -178.6137122.100000112.1
243A30.4Very low34Very low92 Ų92143.9 Ų143.976%0.7682%0.817SS**  trans13.4131.8154.100000119.6
244L35.8Very low33.8Very low182 Ų182148.9 Ų148.995%0.95382%0.815SS**  -159.3139.8117.9-100.1170.9000111.8
245R31.5Very low34.1Very low216 Ų216150.3 Ų150.382%0.81581%0.811SS**  trans-91147.3-167.2-81.8171.6149-134.4-2.1112.2
246H35.7Very low34Very low165 Ų165158.1 Ų158.176%0.76482%0.821SS**  trans31.6128.6146.4-59.8-85000121.1
247K31.9Very low33.6Very low204 Ų204156 Ų15689%0.88782%0.819SS**  -165.2117.2106.2-101.3171.9-171.8179.80111.2
248A30.2Very low33.6Very low101 Ų101151.8 Ų151.884%0.83581%0.814SS**  trans-94.4136.416000000108.2
249V31.8Very low33.4Very low145 Ų145153.4 Ų153.488%0.87982%0.821SS**  trans-112.3126.6164.3174.20000108.2
250A33.8Very low33.3Very low84 Ų84149 Ų14969%0.69482%0.821SS**  trans-78.6159.6-17500000113.4
251R36.5Very low32.2Very low244 Ų244147.9 Ų147.992%0.92183%0.828SS**  trans-179.698.3130.6-99.3165.4159.5-152.9-8.1109
252N29.9Very low32Very low138 Ų138147.9 Ų147.974%0.73883%0.828SS**  78.2102.976-154.927.2000113.8
253K36.5Very low32.5Very low214 Ų214149.5 Ų149.593%0.9383%0.828SS**  trans-150.8130139.4-113.5178.5-177.9179.40109.9
254K34.8Very low33.1Very low187 Ų187151 Ų15181%0.81383%0.829SS**  trans-99.6-177.3-163.4-123.5-172.9-173.9178.60110.5
255P42.9Very low32.6Very low105 Ų105145.7 Ų145.768%0.68282%0.819SS**  -125.1-178-121.138.3-18.8000114.7
256R33.5Very low33Very low253 Ų253141.5 Ų141.596%0.95582%0.82SS**  trans-130.2133.7149.9-68.7-172.885.8-170.74.6110.3
257K29.1Very low32.7Very low205 Ų205138.3 Ų138.389%0.89182%0.822SS**  trans-76.7144.4-174.1-82.1173.2165.3179.10113.1
258A28.7Very low33Very low89 Ų89133.4 Ų133.474%0.73682%0.819SS**  trans-170.789.2130.400000106.4
259S30.1Very low33.3Very low125 Ų125132.6 Ų132.687%0.87481%0.813SS**  57.1106.696.366.60000115.4
260G28.3Very low33.9Very low81 Ų81131.1 Ų131.184%0.83581%0.806SS**  trans160.6109.4165.400000111
261G27.2Very low34.7Very low76 Ų76131.4 Ų131.478%0.78480%0.796SS**  trans-61.9151-163.500000117.6
262A26.2Very low35.5Very low100 Ų100128.4 Ų128.483%0.82679%0.785SS**  84122.57100000111
263V38.3Very low37.5Very low134 Ų134127 Ų12781%0.81277%0.772SS**  cis-154.9-165.612.6-153.90000109.1
264P41.8Very low39.4Very low122 Ų122121.6 Ų121.679%0.79275%0.747SS**  -127.8172.1-11243.8-24.1000117.8
265G26.1Very low41.4Very low71 Ų71115.8 Ų115.873%0.73273%0.734SS**  trans128.9155.3148.900000116.8
266P39.9Very low43.1Very low128 Ų128111.3 Ų111.383%0.83170%0.704SS**  cis-121.3154.9-30.836.4-21.7000113.4
267A30.1Very low45Very low98 Ų98104.4 Ų104.481%0.8169%0.692SS**  trans40.2109.4141.800000119.4A269A267-A269 PolarHBondContact O-N 2.73Å
268A36.4Very low46.7Very low101 Ų101100 Ų10084%0.83568%0.675SS**  trans-42.5130.7156.100000111.6
269A36.8Very low49.2Very low85 Ų8597.5 Ų97.570%0.70265%0.652SS**  trans-54.2141.2173.400000110.7A267 D271A267-A269 PolarHBondContact O-N 2.73Å; A269-D271 PolarHBondContact O-N 2.91Å; A269-D271 VanDerWaalsContact O-N 3.08Å
270P44.6Very low51.2Low113 Ų11399.7 Ų99.773%0.73465%0.653SS**  trans-62.4116.8163.327.7-31.2000106.4R272P270-R272 PolarHBondContact O-N 3.25Å
271D50.3Low53.4Low91 Ų91100.3 Ų100.349%0.48764%0.637SS.*  trans-53.1106.4175.2-130.7-1.7000106.4A269 F273 R284A269-D271 PolarHBondContact O-N 2.91Å; A269-D271 VanDerWaalsContact O-N 3.08Å; D271-F273 HydrophobicContact CB-CD2 4.25Å; D271-F273 HydrophobicContact CB-CE2 3.57Å; D271-F273 HydrophobicContact CB-CZ 3.7Å; D271-F273 WeakPolarHBondContact O-CD2 3.33Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; D271-F273 PolarHBondContact O-N 3.45Å; D271-R284 IonicContact OD2-NE 3.81Å
272R54.7Low55.8Low181 Ų181100 Ų10068%0.68362%0.623SS**  trans-72.496.6-177.1-84.4-176.9161.8129.8-0.2107.4P270P270-R272 PolarHBondContact O-N 3.25Å
273F70.6Confident58.2Low107 Ų10797 Ų9747%0.46959%0.592SS.*  trans-79.9128175.5-62.4-83.1000110.8D271 F283 R284D271-F273 HydrophobicContact CB-CD2 4.25Å; D271-F273 HydrophobicContact CB-CE2 3.57Å; D271-F273 HydrophobicContact CB-CZ 3.7Å; D271-F273 WeakPolarHBondContact O-CD2 3.33Å; D271-F273 WeakPolarHBondContact O-CE2 3.39Å; D271-F273 PolarHBondContact O-N 3.45Å; F273-F283 CarbonylContact C-O 3.47Å; F273-F283 VanDerWaalsContact CA-O 3.31Å; F273-F283 WeakPolarHBondContact CA-O 3.02Å; F273-R284 HydrophobicContact CD1-CG 3.87Å; F273-R284 HydrophobicContact CE1-CG 3.46Å; F273-R284 VanDerWaalsContact CE1-CG 3.46Å; F273-R284 HydrophobicContact CZ-CG 4.43Å
274Y76.8Confident59.9Low102 Ų10298.4 Ų98.440%0.458%0.582SS.*EExtended strand (participates in β ladder)trans-85.5101.2172-68-92.5000108.6S282 F283 S286Y274-S282 WeakPolarHBondContact O-CA 3.36Å; Y274-F283 PolarHBondContact N-O 2.94Å; Y274-F283 WeakPolarHBondContact O-CD2 3.14Å; Y274-F283 PolarHBondContact O-N 2.83Å; Y274-S286 VanDerWaalsContact CD2-N 3.28Å
275A77.6Confident61.6Low65 Ų6595 Ų9554%0.53756%0.56SS.*EExtended strand (participates in β ladder)trans-78.5141.5177.700000112
276C78.4Confident63.9Low10 Ų1094.3 Ų94.37%0.06854%0.543CS..  trans-76.8136.1171.3-171.40000110.2Q278 C279 L281 F283 L289 H292C276-Q278 VanDerWaalsContact C-N 3.29Å; C276-Q278 PolarHBondContact SG-N 2.82Å; C276-C279 CarbonylContact C-O 3.55Å; C276-C279 WeakPolarHBondContact CB-O 3.39Å; C276-L281 PolarHBondContact N-O 3.5Å; C276-F283 HydrophobicContact CB-CE2 4.39Å; C276-L289 VanDerWaalsContact CA-CD1 3.49Å; C276-L289 HydrophobicContact CB-CD1 3.69Å; C276-H292 WeakPolarHBondContact CB-NE2 3.3Å; C276-H292 PolarHBondContact SG-CD2 3.4Å; C276-H292 PolarHBondContact SG-NE2 3.11Å
277P72.3Confident65.7Low108 Ų10892.2 Ų92.270%0.70153%0.528SS*.SBendtrans-80.9-8.9175.529.7-32.9000113.5
278Q66.3Low67.7Low114 Ų11491.6 Ų91.653%0.53351%0.508SS..SBendtrans-105.7-5.8-179.1-68.6-175.5-31.800113.1C276C276-Q278 VanDerWaalsContact C-N 3.29Å; C276-Q278 PolarHBondContact SG-N 2.82Å
279C79.4Confident69.9Low35 Ų3587.7 Ų87.724%0.23647%0.473CS..SBendtrans-164.1168.317170.10000110.1C276 L281 H292 H296C276-C279 CarbonylContact C-O 3.55Å; C276-C279 WeakPolarHBondContact CB-O 3.39Å; C279-L281 PolarHBondContact O-N 3.07Å; C279-H292 PolarHBondContact SG-CE1 2.81Å; C279-H292 PolarHBondContact SG-NE2 3.3Å; C279-H296 PolarHBondContact SG-NE2 3.11Å
280D73.3Confident71.7Confident171 Ų17186.6 Ų86.691%0.91446%0.461SS*.SBendtrans-77.913.9-173.1-54.7-40.8000115
281L74.6Confident73.3Confident95 Ų9588.8 Ų88.850%0.49746%0.459SS..  trans-79.2129.8179.9-65.6178.9000111.8C276 C279 F283C276-L281 PolarHBondContact N-O 3.5Å; C279-L281 PolarHBondContact O-N 3.07Å; L281-F283 HydrophobicContact CB-CE2 3.72Å; L281-F283 HydrophobicContact CB-CZ 3.71Å; L281-F283 HydrophobicContact CD1-CZ 4.29Å; L281-F283 WeakPolarHBondContact O-CE2 3.3Å
282S76.8Confident74.6Confident70 Ų7085.7 Ų85.749%0.4944%0.441SS..EExtended strand (participates in β ladder)trans-116.1139.6177.4750000111.7Y274Y274-S282 WeakPolarHBondContact O-CA 3.36Å
283F77.9Confident75.7Confident36 Ų3680.4 Ų80.416%0.15842%0.424CS..EExtended strand (participates in β ladder)trans-124.1142.9-168-62.8-82.7000111.4F273 Y274 C276 L281 T285 Q288 L289 H292F273-F283 CarbonylContact C-O 3.47Å; F273-F283 VanDerWaalsContact CA-O 3.31Å; F273-F283 WeakPolarHBondContact CA-O 3.02Å; Y274-F283 PolarHBondContact N-O 2.94Å; Y274-F283 WeakPolarHBondContact O-CD2 3.14Å; Y274-F283 PolarHBondContact O-N 2.83Å; C276-F283 HydrophobicContact CB-CE2 4.39Å; L281-F283 HydrophobicContact CB-CE2 3.72Å; L281-F283 HydrophobicContact CB-CZ 3.71Å; L281-F283 HydrophobicContact CD1-CZ 4.29Å; L281-F283 WeakPolarHBondContact O-CE2 3.3Å; F283-T285 PolarHBondContact O-N 3.13Å; F283-Q288 HydrophobicContact CB-CB 3.81Å; F283-Q288 HydrophobicContact CD1-CB 3.82Å; F283-Q288 HydrophobicContact CG-CB 4.08Å; F283-L289 HydrophobicContact CB-CB 4.26Å; F283-L289 HydrophobicContact CD2-CB 3.97Å; F283-L289 HydrophobicContact CD2-CD1 3.84Å; F283-L289 HydrophobicContact CE2-CD1 4.13Å; F283-L289 HydrophobicContact CG-CB 4.34Å; F283-H292 HydrophobicContact CD2-CB 4.49Å; F283-H292 HydrophobicContact CE1-CB 3.9Å; F283-H292 HydrophobicContact CE2-CB 3.67Å; F283-H292 AromaticContact CE2-CD2 3.26Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.19Å; F283-H292 AromaticContact CE2-CG 3.43Å; F283-H292 VanDerWaalsContact CE2-CG 3.43Å; F283-H292 HydrophobicContact CZ-CB 3.32Å; F283-H292 AromaticContact CZ-CD2 3.49Å; F283-H292 VanDerWaalsContact CZ-CD2 3.49Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.46Å; F283-H292 AromaticContact CZ-CG 3.15Å; F283-H292 AromaticContact CZ-ND1 3.68Å
284R73.3Confident76.2Confident163 Ų16379 Ų7962%0.61542%0.424SS*.SBendtrans-71.7-14.9-177.6-66.8-178.4-177.4174.40.6113.9D271 F273D271-R284 IonicContact OD2-NE 3.81Å; F273-R284 HydrophobicContact CD1-CG 3.87Å; F273-R284 HydrophobicContact CE1-CG 3.46Å; F273-R284 VanDerWaalsContact CE1-CG 3.46Å; F273-R284 HydrophobicContact CZ-CG 4.43Å
285T78.1Confident76.2Confident52 Ų5276.1 Ų76.132%0.31942%0.419SS..SBendtrans-142.3148.8-177.857.10000111.6F283 T287 Q288 L289F283-T285 PolarHBondContact O-N 3.13Å; T285-T287 PolarHBondContact O-N 2.98Å; T285-T287 PolarHBondContact OG1-OG1 3.37Å; T285-Q288 WeakPolarHBondContact O-CB 2.89Å; T285-Q288 PolarHBondContact O-N 3.49Å; T285-Q288 VanDerWaalsContact O-N 3.1Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.36Å; T285-Q288 PolarHBondContact OG1-NE2 3.33Å; T285-L289 PolarHBondContact O-N 3.31Å
286S72.9Confident76.2Confident55 Ų5574.3 Ų74.339%0.38540%0.399SS..Hα-helixtrans-60.3-32.9179.165.10000112.6Y274 Q288 L289 S290Y274-S286 VanDerWaalsContact CD2-N 3.28Å; S286-Q288 VanDerWaalsContact C-N 3.34Å; S286-Q288 PolarHBondContact O-N 3.36Å; S286-L289 PolarHBondContact O-N 2.63Å; S286-S290 PolarHBondContact O-N 2.69Å; S286-S290 PolarHBondContact O-OG 3.02Å; S286-S290 VanDerWaalsContact O-OG 3.07Å
287T78.2Confident76.1Confident84 Ų8476.2 Ų76.252%0.51541%0.411SS..Hα-helixtrans-69.4-31.2178.254.60000112.6T285 K291T285-T287 PolarHBondContact O-N 2.98Å; T285-T287 PolarHBondContact OG1-OG1 3.37Å; T287-K291 VanDerWaalsContact O-CG 3.28Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 2.95Å; T287-K291 VanDerWaalsContact O-N 3.13Å
288Q72.1Confident76Confident85 Ų8575.9 Ų75.940%0.39740%0.398SS..Hα-helixtrans-70.4-42.7172.2-7416814.900110.8F283 T285 S286 S290 K291 H292F283-Q288 HydrophobicContact CB-CB 3.81Å; F283-Q288 HydrophobicContact CD1-CB 3.82Å; F283-Q288 HydrophobicContact CG-CB 4.08Å; T285-Q288 WeakPolarHBondContact O-CB 2.89Å; T285-Q288 PolarHBondContact O-N 3.49Å; T285-Q288 VanDerWaalsContact O-N 3.1Å; T285-Q288 WeakPolarHBondContact OG1-CG 3.36Å; T285-Q288 PolarHBondContact OG1-NE2 3.33Å; S286-Q288 VanDerWaalsContact C-N 3.34Å; S286-Q288 PolarHBondContact O-N 3.36Å; Q288-S290 PolarHBondContact O-N 3.01Å; Q288-K291 PolarHBondContact O-N 3.16Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-N 2.82Å
289L82Confident76.1Confident19 Ų1976.4 Ų76.410%0.09940%0.401CS..Hα-helixtrans-60.2-45.7173.2173.561.7000111.5C276 F283 T285 S286 K291 H292 Q293C276-L289 VanDerWaalsContact CA-CD1 3.49Å; C276-L289 HydrophobicContact CB-CD1 3.69Å; F283-L289 HydrophobicContact CB-CB 4.26Å; F283-L289 HydrophobicContact CD2-CB 3.97Å; F283-L289 HydrophobicContact CD2-CD1 3.84Å; F283-L289 HydrophobicContact CE2-CD1 4.13Å; F283-L289 HydrophobicContact CG-CB 4.34Å; T285-L289 PolarHBondContact O-N 3.31Å; S286-L289 PolarHBondContact O-N 2.63Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.44Å; L289-H292 CarbonylContact O-C 3.47Å; L289-H292 PolarHBondContact O-N 3.42Å; L289-H292 VanDerWaalsContact O-N 3.11Å; L289-Q293 HydrophobicContact CD1-CG 3.98Å; L289-Q293 HydrophobicContact CG-CG 4.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.47Å; L289-Q293 PolarHBondContact O-N 3.19Å
290S74.8Confident75.7Confident62 Ų6279 Ų7943%0.43441%0.412SS..Hα-helixtrans-62.3-36.9178.3-59.90000112.7S286 Q288 H292 Q293 V294S286-S290 PolarHBondContact O-N 2.69Å; S286-S290 PolarHBondContact O-OG 3.02Å; S286-S290 VanDerWaalsContact O-OG 3.07Å; Q288-S290 PolarHBondContact O-N 3.01Å; S290-H292 VanDerWaalsContact C-N 3.31Å; S290-Q293 PolarHBondContact O-N 3.45Å; S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.35Å; S290-V294 PolarHBondContact O-N 3.19Å
291K78.8Confident75.3Confident159 Ų15972.1 Ų72.169%0.69138%0.375SS*.Hα-helixtrans-66.3-36.3174.5-74.6172.2-176.2179.10112T287 Q288 L289 V294T287-K291 VanDerWaalsContact O-CG 3.28Å; T287-K291 WeakPolarHBondContact O-CG 3.47Å; T287-K291 PolarHBondContact O-N 2.95Å; T287-K291 VanDerWaalsContact O-N 3.13Å; Q288-K291 PolarHBondContact O-N 3.16Å; L289-K291 VanDerWaalsContact C-N 3.31Å; L289-K291 PolarHBondContact O-N 3.44Å; K291-V294 PolarHBondContact O-N 3.37Å
292H78Confident74.6Confident26 Ų2671.7 Ų71.712%0.1237%0.373CS..Hα-helixtrans-74.6-36.5176.7169.269.7000112.6C276 C279 F283 Q288 L289 S290 V294 S295 H296C276-H292 WeakPolarHBondContact CB-NE2 3.3Å; C276-H292 PolarHBondContact SG-CD2 3.4Å; C276-H292 PolarHBondContact SG-NE2 3.11Å; C279-H292 PolarHBondContact SG-CE1 2.81Å; C279-H292 PolarHBondContact SG-NE2 3.3Å; F283-H292 HydrophobicContact CD2-CB 4.49Å; F283-H292 HydrophobicContact CE1-CB 3.9Å; F283-H292 HydrophobicContact CE2-CB 3.67Å; F283-H292 AromaticContact CE2-CD2 3.26Å; F283-H292 WeakPolarHBondContact CE2-CD2 3.19Å; F283-H292 AromaticContact CE2-CG 3.43Å; F283-H292 VanDerWaalsContact CE2-CG 3.43Å; F283-H292 HydrophobicContact CZ-CB 3.32Å; F283-H292 AromaticContact CZ-CD2 3.49Å; F283-H292 VanDerWaalsContact CZ-CD2 3.49Å; F283-H292 WeakPolarHBondContact CZ-CD2 3.46Å; F283-H292 AromaticContact CZ-CG 3.15Å; F283-H292 AromaticContact CZ-ND1 3.68Å; Q288-H292 WeakPolarHBondContact O-CB 3.49Å; Q288-H292 PolarHBondContact O-N 2.82Å; L289-H292 CarbonylContact O-C 3.47Å; L289-H292 PolarHBondContact O-N 3.42Å; L289-H292 VanDerWaalsContact O-N 3.11Å; S290-H292 VanDerWaalsContact C-N 3.31Å; H292-V294 PolarHBondContact O-N 3.19Å; H292-S295 WeakPolarHBondContact O-CB 3.3Å; H292-S295 PolarHBondContact O-N 2.94Å; H292-S295 PolarHBondContact O-OG 2.91Å; H292-H296 AromaticContact CD2-NE2 3.96Å; H292-H296 AromaticContact CE1-CD2 3.74Å; H292-H296 AromaticContact CE1-NE2 3.2Å; H292-H296 PolarHBondContact CE1-NE2 2.85Å; H292-H296 AromaticContact NE2-CD2 3.43Å; H292-H296 PolarHBondContact NE2-CD2 3.45Å; H292-H296 AromaticContact NE2-NE2 2.94Å; H292-H296 PolarHBondContact NE2-NE2 2.85Å; H292-H296 PolarHBondContact O-N 2.96Å
293Q77.2Confident73.8Confident70 Ų7072 Ų7233%0.32738%0.375SS..Hα-helixtrans-62.1-30.5172.2-73174.8-24.200112.2L289 S290 S295 H296 V297L289-Q293 HydrophobicContact CD1-CG 3.98Å; L289-Q293 HydrophobicContact CG-CG 4.31Å; L289-Q293 WeakPolarHBondContact O-CG 3.47Å; L289-Q293 PolarHBondContact O-N 3.19Å; S290-Q293 PolarHBondContact O-N 3.45Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.35Å; Q293-H296 PolarHBondContact O-N 3.42Å; Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.87Å
294V80.9Confident72.5Confident77 Ų7779.4 Ų79.447%0.46740%0.403SS..Hα-helixtrans-68.5-25.1172.3174.30000112.1S290 K291 H292 K298 L318S290-V294 VanDerWaalsContact O-CG2 3.3Å; S290-V294 WeakPolarHBondContact O-CG2 3.35Å; S290-V294 PolarHBondContact O-N 3.19Å; K291-V294 PolarHBondContact O-N 3.37Å; H292-V294 PolarHBondContact O-N 3.19Å; V294-K298 VanDerWaalsContact O-CB 3.28Å; V294-K298 WeakPolarHBondContact O-CB 3.29Å; V294-K298 PolarHBondContact O-N 3.48Å; V294-L318 HydrophobicContact CG1-CD2 4.33Å
295S77.4Confident71.6Confident43 Ų4374 Ų7430%0.30139%0.389SS..Hα-helixtrans-71.5-39.8173.671.30000111.9H292 Q293 V297 K298 E299H292-S295 WeakPolarHBondContact O-CB 3.3Å; H292-S295 PolarHBondContact O-N 2.94Å; H292-S295 PolarHBondContact O-OG 2.91Å; Q293-S295 VanDerWaalsContact C-N 3.27Å; Q293-S295 PolarHBondContact O-N 3.35Å; S295-V297 PolarHBondContact O-N 2.83Å; S295-K298 CarbonylContact O-C 3.55Å; S295-K298 WeakPolarHBondContact O-CB 3.49Å; S295-K298 PolarHBondContact O-N 3.39Å; S295-K298 VanDerWaalsContact O-N 3.13Å; S295-E299 WeakPolarHBondContact O-CG 3.45Å; S295-E299 PolarHBondContact O-N 2.77Å
296H78Confident70Confident26 Ų2677.3 Ų77.312%0.1241%0.411CS..Hα-helixtrans-60.4-45.4173.1-74.2-70.6000112.1C279 H292 Q293 K298 E299 L300C279-H296 PolarHBondContact SG-NE2 3.11Å; H292-H296 AromaticContact CD2-NE2 3.96Å; H292-H296 AromaticContact CE1-CD2 3.74Å; H292-H296 AromaticContact CE1-NE2 3.2Å; H292-H296 PolarHBondContact CE1-NE2 2.85Å; H292-H296 AromaticContact NE2-CD2 3.43Å; H292-H296 PolarHBondContact NE2-CD2 3.45Å; H292-H296 AromaticContact NE2-NE2 2.94Å; H292-H296 PolarHBondContact NE2-NE2 2.85Å; H292-H296 PolarHBondContact O-N 2.96Å; Q293-H296 PolarHBondContact O-N 3.42Å; H296-K298 VanDerWaalsContact C-N 3.27Å; H296-K298 PolarHBondContact O-N 3.37Å; H296-E299 PolarHBondContact O-N 3.2Å; H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 WeakPolarHBondContact O-CG 3.34Å; H296-L300 PolarHBondContact O-N 2.88Å
297V74.9Confident69Low51 Ų5177.8 Ų77.831%0.30943%0.425SS..Hα-helixtrans-62.8-37.4175.4175.20000110.7Q293 S295 L301 L322Q293-V297 WeakPolarHBondContact O-CG2 3.4Å; Q293-V297 PolarHBondContact O-N 2.87Å; S295-V297 PolarHBondContact O-N 2.83Å; V297-L301 HydrophobicContact CG1-CD1 3.78Å; V297-L301 WeakPolarHBondContact O-CB 3.44Å; V297-L301 WeakPolarHBondContact O-CD1 3.45Å; V297-L301 PolarHBondContact O-N 2.99Å; V297-L322 HydrophobicContact CG1-CD1 4.35Å
298K70.3Confident67.8Low101 Ų10180.9 Ų80.944%0.43943%0.431SS..Hα-helixtrans-67.5-45176.7-173.8-176.7173.2-172.60112.2V294 S295 H296 L300 L301 D302V294-K298 VanDerWaalsContact O-CB 3.28Å; V294-K298 WeakPolarHBondContact O-CB 3.29Å; V294-K298 PolarHBondContact O-N 3.48Å; S295-K298 CarbonylContact O-C 3.55Å; S295-K298 WeakPolarHBondContact O-CB 3.49Å; S295-K298 PolarHBondContact O-N 3.39Å; S295-K298 VanDerWaalsContact O-N 3.13Å; H296-K298 VanDerWaalsContact C-N 3.27Å; H296-K298 PolarHBondContact O-N 3.37Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 2.94Å; K298-L301 CarbonylContact O-C 3.51Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.07Å; K298-D302 WeakPolarHBondContact O-CB 3.17Å; K298-D302 VanDerWaalsContact O-CG 3.22Å; K298-D302 PolarHBondContact O-N 3.01Å
299E69.3Low66.8Low125 Ų12585.1 Ų85.158%0.58445%0.451SS*.Hα-helixtrans-63.4-40.4177.4-76.4173.6-179.300111.6S295 H296 L301 D302 S303S295-E299 WeakPolarHBondContact O-CG 3.45Å; S295-E299 PolarHBondContact O-N 2.77Å; H296-E299 PolarHBondContact O-N 3.2Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.23Å; E299-D302 PolarHBondContact O-N 3.01Å; E299-S303 PolarHBondContact O-N 2.79Å
300L71.9Confident65.2Low88 Ų8891.5 Ų91.546%0.46149%0.485SS..Hα-helixtrans-62.8-38.5170.1-74.3165.6000111.9H296 K298 D302 S303 Y304H296-L300 WeakPolarHBondContact O-CB 3.39Å; H296-L300 WeakPolarHBondContact O-CG 3.34Å; H296-L300 PolarHBondContact O-N 2.88Å; K298-L300 VanDerWaalsContact C-N 3.34Å; K298-L300 PolarHBondContact O-N 2.94Å; L300-D302 VanDerWaalsContact C-N 3.35Å; L300-S303 PolarHBondContact O-OG 2.97Å; L300-Y304 VanDerWaalsContact O-CD2 3.3Å; L300-Y304 WeakPolarHBondContact O-CD2 3.5Å; L300-Y304 PolarHBondContact O-N 3.04Å
301L65.1Low64.2Low27 Ų2794 Ų9414%0.14149%0.493CS..Hα-helixtrans-71.8-30.8177.1-96.373.2000112.8V297 K298 E299 T305 L318 R321V297-L301 HydrophobicContact CG1-CD1 3.78Å; V297-L301 WeakPolarHBondContact O-CB 3.44Å; V297-L301 WeakPolarHBondContact O-CD1 3.45Å; V297-L301 PolarHBondContact O-N 2.99Å; K298-L301 CarbonylContact O-C 3.51Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.07Å; E299-L301 VanDerWaalsContact C-N 3.33Å; E299-L301 PolarHBondContact O-N 3.23Å; L301-T305 PolarHBondContact O-OG1 3.18Å; L301-T305 VanDerWaalsContact O-OG1 3.11Å; L301-L318 HydrophobicContact CD2-CD1 3.86Å; L301-R321 HydrophobicContact CD2-CB 3.9Å; L301-R321 PolarHBondContact O-NH2 3.19Å
302D57.9Low62.8Low87 Ų8789.5 Ų89.547%0.46549%0.491SS..Hα-helixtrans-75.1-34.1178.5-71.1-19.3000110.9K298 E299 L300 T305K298-D302 WeakPolarHBondContact O-CB 3.17Å; K298-D302 VanDerWaalsContact O-CG 3.22Å; K298-D302 PolarHBondContact O-N 3.01Å; E299-D302 PolarHBondContact O-N 3.01Å; L300-D302 VanDerWaalsContact C-N 3.35Å; D302-T305 CarbonylContact O-C 3.56Å; D302-T305 PolarHBondContact O-N 2.91Å
303S61.5Low61.5Low75 Ų7595.6 Ų95.652%0.52452%0.52SS..Hα-helixtrans-69.1-32.3174.468.80000113.7E299 L300 T305E299-S303 PolarHBondContact O-N 2.79Å; L300-S303 PolarHBondContact O-OG 2.97Å; S303-T305 VanDerWaalsContact C-N 3.33Å
304Y50.4Low60.2Low192 Ų19294.2 Ų94.275%0.75352%0.518SS*.THydrogen-bonded Turntrans-79-10.3176.1-89.2-90.2000114.3L300L300-Y304 VanDerWaalsContact O-CD2 3.3Å; L300-Y304 WeakPolarHBondContact O-CD2 3.5Å; L300-Y304 PolarHBondContact O-N 3.04Å
305T52.8Low58.9Low51 Ų5195.8 Ų95.831%0.31353%0.532SS..SBendtrans-134.472.6174.8530000111.2L301 D302 S303 G307 R321L301-T305 PolarHBondContact O-OG1 3.18Å; L301-T305 VanDerWaalsContact O-OG1 3.11Å; D302-T305 CarbonylContact O-C 3.56Å; D302-T305 PolarHBondContact O-N 2.91Å; S303-T305 VanDerWaalsContact C-N 3.33Å; T305-G307 PolarHBondContact O-N 3.01Å; T305-R321 PolarHBondContact OG1-NH1 3.29Å
306P45.9Very low57.6Low120 Ų12096.6 Ų96.678%0.77954%0.538SS*.THydrogen-bonded Turntrans-65.3127.4171.9-1.815.9000108.7
307G52.5Low56.4Low66 Ų6698.3 Ų98.368%0.6855%0.548SS*.THydrogen-bonded Turntrans10210.5172.300000117.6T305T305-G307 PolarHBondContact O-N 3.01Å
308K52.3Low55.3Low149 Ų14999 Ų9965%0.64855%0.55SS*.  trans-118.159.4166.8-66.1-171.4-175.9-179.30111.4N310 L311K308-N310 PolarHBondContact O-N 2.73Å; K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.13Å
309E51.5Low54.7Low173 Ų173101.8 Ų101.881%0.80856%0.562SS**THydrogen-bonded Turntrans-69.212.2-174.354.5-158127.600116.1
310N48.7Very low54Low153 Ų153100.2 Ų100.282%0.81856%0.556SS**THydrogen-bonded Turntrans-133.624.1-178.8-75.6-65.4000115.9K308K308-N310 PolarHBondContact O-N 2.73Å
311L52.1Low53.1Low116 Ų11699.9 Ų99.961%0.60755%0.549SS*.  trans-10631.9174-74.9163.7000113.4K308K308-L311 HydrophobicContact CB-CD1 4.32Å; K308-L311 HydrophobicContact CD-CD1 4.13Å
312G49.2Very low52.5Low63 Ų63103.2 Ų103.265%0.64957%0.566SS**  trans-96.55.4-174.200000116.8
313E52.1Low52.3Low155 Ų155106.7 Ų106.772%0.72458%0.577SS**SBendtrans-113.84.8-169.5-76.5-165.5132.600116.8R428E313-R428 IonicContact OE1-CZ 3.57Å; E313-R428 IonicContact OE1-NH1 2.74Å; E313-R428 PolarHBondContact OE1-NH1 3.21Å; E313-R428 IonicContact OE1-NH2 3.66Å
314S50.3Low51.4Low40 Ų40108 Ų10828%0.2858%0.578SS.*  trans-122.8118.9170.5108.40000111.5S316 D317S314-S316 WeakPolarHBondContact CB-OG 3.36Å; S314-S316 PolarHBondContact O-N 3.04Å; S314-S316 PolarHBondContact OG-OG 2.76Å; S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.47Å; S314-D317 PolarHBondContact OG-OD2 2.79Å
315S52.8Low51Low110 Ų110104.4 Ų104.477%0.76958%0.579SS**Hα-helixtrans-55.1-15.8172.764.10000113.5K319S315-K319 VanDerWaalsContact O-CB 3.3Å; S315-K319 WeakPolarHBondContact O-CB 3.4Å; S315-K319 PolarHBondContact O-N 2.93Å
316S50.1Low50.6Low60 Ų60105.6 Ų105.642%0.4259%0.59SS.*Hα-helixtrans-70.2-42.2174130000112.6S314 K319 I320S314-S316 WeakPolarHBondContact CB-OG 3.36Å; S314-S316 PolarHBondContact O-N 3.04Å; S314-S316 PolarHBondContact OG-OG 2.76Å; S316-K319 CarbonylContact O-C 3.52Å; S316-K319 WeakPolarHBondContact O-CB 3.27Å; S316-K319 PolarHBondContact O-N 3.21Å; S316-I320 WeakPolarHBondContact O-CB 3.43Å; S316-I320 WeakPolarHBondContact O-CD1 3.14Å; S316-I320 WeakPolarHBondContact O-CG1 3.45Å; S316-I320 PolarHBondContact O-N 3.09Å
317D52Low50.5Low63 Ų63109.5 Ų109.534%0.33759%0.589SS.*Hα-helixtrans-72.6-37.1-173.7-63.2-40.9000112S314 K319 I320 R321S314-D317 PolarHBondContact O-N 2.93Å; S314-D317 PolarHBondContact OG-N 3.47Å; S314-D317 PolarHBondContact OG-OD2 2.79Å; D317-K319 VanDerWaalsContact C-N 3.34Å; D317-I320 PolarHBondContact O-N 2.83Å; D317-R321 PolarHBondContact O-N 2.94Å
318L53.2Low49.9Very low65 Ų65113.4 Ų113.434%0.3459%0.594SS.*Hα-helixtrans-64.5-40.4171-164.473.5000111.1V294 L301 I320 R321 L322V294-L318 HydrophobicContact CG1-CD2 4.33Å; L301-L318 HydrophobicContact CD2-CD1 3.86Å; L318-I320 VanDerWaalsContact C-N 3.31Å; L318-I320 PolarHBondContact O-N 3.29Å; L318-R321 PolarHBondContact O-N 3.47Å; L318-L322 HydrophobicContact CD1-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 WeakPolarHBondContact O-CD1 3.48Å; L318-L322 PolarHBondContact O-N 3.37Å
319K57.3Low49.2Very low159 Ų159115.6 Ų115.669%0.69160%0.604SS**Hα-helixtrans-69.1-29.1177.1-164.9169.1-171.81710112.4S315 S316 D317 K323S315-K319 VanDerWaalsContact O-CB 3.3Å; S315-K319 WeakPolarHBondContact O-CB 3.4Å; S315-K319 PolarHBondContact O-N 2.93Å; S316-K319 CarbonylContact O-C 3.52Å; S316-K319 WeakPolarHBondContact O-CB 3.27Å; S316-K319 PolarHBondContact O-N 3.21Å; D317-K319 VanDerWaalsContact C-N 3.34Å; K319-K323 WeakPolarHBondContact O-CB 3.36Å; K319-K323 PolarHBondContact O-N 3.06Å
320I54.1Low48.8Very low92 Ų92113 Ų11347%0.47260%0.602SS.*Hα-helixtrans-73.4-43.2173.8-69.9160.3000110.3S316 D317 L318 K323 L324S316-I320 WeakPolarHBondContact O-CB 3.43Å; S316-I320 WeakPolarHBondContact O-CD1 3.14Å; S316-I320 WeakPolarHBondContact O-CG1 3.45Å; S316-I320 PolarHBondContact O-N 3.09Å; D317-I320 PolarHBondContact O-N 2.83Å; L318-I320 VanDerWaalsContact C-N 3.31Å; L318-I320 PolarHBondContact O-N 3.29Å; I320-K323 WeakPolarHBondContact O-CB 3.33Å; I320-K323 PolarHBondContact O-N 3.39Å; I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.29Å; I320-L324 VanDerWaalsContact O-N 3.11Å
321R53.8Low48Very low82 Ų82112.3 Ų112.331%0.30960%0.598SS.*Hα-helixtrans-66-42.3175.4-76.3-175.663.9166.8-4112.9L301 T305 D317 L318 K323 L324 C325L301-R321 HydrophobicContact CD2-CB 3.9Å; L301-R321 PolarHBondContact O-NH2 3.19Å; T305-R321 PolarHBondContact OG1-NH1 3.29Å; D317-R321 PolarHBondContact O-N 2.94Å; L318-R321 PolarHBondContact O-N 3.47Å; R321-K323 PolarHBondContact O-N 3.25Å; R321-L324 PolarHBondContact O-N 2.72Å; R321-C325 PolarHBondContact O-N 3.43Å
322L52.9Low46.8Very low96 Ų96115.9 Ų115.950%0.50361%0.609SS.*Hα-helixtrans-60.8-29.4172.3-95.291.4000112.7V297 L318V297-L322 HydrophobicContact CG1-CD1 4.35Å; L318-L322 HydrophobicContact CD1-CD1 4.43Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 WeakPolarHBondContact O-CD1 3.48Å; L318-L322 PolarHBondContact O-N 3.37Å
323K53.1Low45.8Very low160 Ų160122.5 Ų122.570%0.69662%0.616SS**Hα-helixtrans-76.9-23.7175.4-121.8175177.3-1780113.7K319 I320 R321 S326K319-K323 WeakPolarHBondContact O-CB 3.36Å; K319-K323 PolarHBondContact O-N 3.06Å; I320-K323 WeakPolarHBondContact O-CB 3.33Å; I320-K323 PolarHBondContact O-N 3.39Å; R321-K323 PolarHBondContact O-N 3.25Å; K323-S326 PolarHBondContact O-OG 2.83Å; K323-S326 VanDerWaalsContact O-OG 3.07Å
324L41.9Very low44.8Very low103 Ų103120.8 Ų120.854%0.53962%0.617SS.*Hα-helixtrans-81.4-34.6179-76.5160.6000111.4I320 R321 S326I320-L324 HydrophobicContact CG2-CD1 4.1Å; I320-L324 WeakPolarHBondContact O-CG 3.29Å; I320-L324 PolarHBondContact O-N 3.29Å; I320-L324 VanDerWaalsContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.72Å; L324-S326 PolarHBondContact O-N 3.23Å
325C42.4Very low44.1Very low116 Ų116127.3 Ų127.378%0.78465%0.647SS**THydrogen-bonded Turntrans-75.2-6.4174.5-65.50000114.4R321R321-C325 PolarHBondContact O-N 3.43Å
326S44.8Very low43Very low76 Ų76128.1 Ų128.153%0.53165%0.651SS.*THydrogen-bonded Turntrans-100.924.1-179.867.70000113.5K323 L324 D328K323-S326 PolarHBondContact O-OG 2.83Å; K323-S326 VanDerWaalsContact O-OG 3.07Å; L324-S326 PolarHBondContact O-N 3.23Å; S326-D328 PolarHBondContact O-N 2.79Å
327R43.2Very low42.6Very low202 Ų202134.5 Ų134.576%0.76267%0.672SS**  trans-82.621.8-176.7-80.3-178.177.1123.1-3.9115
328D40Very low41.8Very low148 Ų148140.9 Ų140.979%0.79170%0.696SS**SBendtrans-125.6100.7166.3-76.2-57.2000111.4S326S326-D328 PolarHBondContact O-N 2.79Å
329K38.3Very low40.8Very low195 Ų195145.7 Ų145.785%0.84872%0.722SS**SBendtrans88144.4161.7-71.7152.4-178.6174.50119.1
330P42.1Very low39.8Very low118 Ų118149.7 Ų149.777%0.76673%0.733SS**  -113.1152.2-116.338.5-32.7000116
331N32.1Very low38.8Very low139 Ų139156.9 Ų156.974%0.74375%0.754SS**  trans40123.5150.4-104.3-31.8000121.2
332F27.5Very low37.9Very low191 Ų191164.8 Ų164.884%0.83878%0.784SS**  -160.7105.3109.8-118.5-88.9000108.8
333Y27.3Very low37.2Very low202 Ų202172.5 Ų172.579%0.79281%0.806SS**SBendtrans166.693.5136-94.2-72.9000109.5
334T32.3Very low36.2Very low120 Ų120168.9 Ų168.974%0.73682%0.815SS**  trans33.4102.8147.459.70000117.8C336T334-C336 PolarHBondContact O-N 3.1Å
335L35.8Very low35.6Very low177 Ų177167.6 Ų167.693%0.92783%0.827SS**  trans-49.5116.2160.3-65.9163.1000111K337L335-K337 PolarHBondContact O-N 2.77Å
336C29.6Very low35.1Very low126 Ų126173.5 Ų173.585%0.85183%0.832SS**  trans-82.2102.3163.4-153.90000108.1T334 K338T334-C336 PolarHBondContact O-N 3.1Å; C336-K338 PolarHBondContact O-N 3.24Å; C336-K338 VanDerWaalsContact O-N 3.1Å
337K40.6Very low35.3Very low195 Ų195175.1 Ų175.185%0.84884%0.841SS**  trans-45.6112.3159.3-84173.1169.8174.60108.9L335L335-K337 PolarHBondContact O-N 2.77Å
338K35.6Very low35.1Very low196 Ų196171.7 Ų171.785%0.85285%0.845SS**  trans-179.185.6145.7-101.3169.9-173.2-173.40108.4C336C336-K338 PolarHBondContact O-N 3.24Å; C336-K338 VanDerWaalsContact O-N 3.1Å
339N31.9Very low34.8Very low166 Ų166176.1 Ų176.189%0.88885%0.851SS**  trans-163.592.8149.4-105.1-5000109
340R37.8Very low34.6Very low243 Ų243178.6 Ų178.692%0.91786%0.855SS**  trans-157.793.1153-110.5-179.5177.6175.6-0.8107.7
341R32.7Very low34.1Very low243 Ų243177.6 Ų177.692%0.91786%0.856SS**  trans167.785139.3-88.2175.4-157.2-85.24.5109.3
342R35.1Very low34.1Very low249 Ų249175.1 Ų175.194%0.9486%0.855SS**  trans-134.7102.9151.3-84.8-93.7-171.4-102.60105.6
343R36.8Very low34.3Very low257 Ų257173.4 Ų173.497%0.9786%0.855SS**  trans-143.7130.1155.1-94.8-164.5-178.2-133.71.7107.8
344G32.4Very low34.7Very low84 Ų84170.7 Ų170.787%0.86685%0.854SS**  trans108.6119.315600000115.8
345G30.6Very low35.9Very low77 Ų77170.2 Ų170.279%0.79485%0.853SS**  trans115.488.1141.800000118.1
346R30.7Very low35.8Very low239 Ų239170.7 Ų170.790%0.90285%0.851SS**  trans36.5140.1133.5-152.6168.5-174.6-107.84.2121.1
347P49.7Very low35.9Very low110 Ų110169.4 Ų169.471%0.71485%0.849SS**  trans-85159.817836.6-33.9000112
348P38.8Very low35.6Very low130 Ų130163.9 Ų163.984%0.84485%0.847SS**  trans-120.4155.5156.329.3-13.1000114.1
349R33.7Very low35.5Very low241 Ų241159.8 Ų159.891%0.90985%0.85SS**  trans-82.2157.1174.1-71.1173.8161.9-121.8-0110.8
350R33.3Very low35.7Very low248 Ų248155.9 Ų155.994%0.93685%0.849SS**  trans1.6139.7160.3-62.4-175.8177.2-167.1-1.5121
351A31.6Very low35.7Very low96 Ų96152.9 Ų152.979%0.79385%0.845SS**  113125.9128.300000118.7
352A33.2Very low36.2Very low88 Ų88147 Ų14773%0.72784%0.839SS**  trans91.4129.4137.800000121.6
353D31.9Very low36.7Very low154 Ų154138.3 Ų138.382%0.82483%0.826SS**  trans79.6120.7151.7-59.7-57.3000123.3
354D34.9Very low37.5Very low146 Ų146129.1 Ų129.178%0.78181%0.812SS**  trans-19.1179.5158.7-88-76.4000121.6
355P58.1Low38.7Very low110 Ų110135.8 Ų135.871%0.71481%0.811SS**  -130.9-168.3-60.735.4-14000112.4
356E32.5Very low40.7Very low187 Ų187141 Ų14187%0.87481%0.807SS**  trans94.3128.1165.8-83.9-151.7118.400122.6
357A32Very low43.1Very low98 Ų98132.8 Ų132.881%0.8178%0.778SS**  trans45.1122.2154.400000119.3
358G34.2Very low44.8Very low80 Ų80131 Ų13183%0.82577%0.765SS**  cis126.299.726.300000108.6
359A34.6Very low47Very low109 Ų109124.8 Ų124.890%0.90173%0.725SS**  trans-174.8131.7155.500000110.4
360G34.7Very low49.1Very low84 Ų84119.9 Ų119.987%0.86672%0.717SS**  trans-77.9145.8-162.200000116.5
361E38.9Very low51.1Low180 Ų180114.1 Ų114.184%0.84170%0.704SS**  trans-118.8145.9162.7-102.2-95.2123.400107.9G363E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 3.46Å
362P43.6Very low53.5Low121 Ų121112 Ų11279%0.78668%0.683SS**  trans-74.884.2-169.730.6-32.3000110.4G364P362-G364 PolarHBondContact O-N 3.49Å
363G44.1Very low55.6Low65 Ų65110.6 Ų110.667%0.6768%0.677SS**  trans-63.2115.3176.900000111.1E361 R365E361-G363 VanDerWaalsContact C-N 3.31Å; E361-G363 PolarHBondContact O-N 3.46Å; G363-R365 PolarHBondContact O-N 2.97Å; G363-R365 VanDerWaalsContact O-N 3.16Å
364G54Low58Low65 Ų65108.9 Ų108.967%0.6766%0.662SS**  trans-52.2123.3161.900000108.5P362 R366P362-G364 PolarHBondContact O-N 3.49Å; G364-R366 PolarHBondContact O-N 3.14Å
365R57.4Low60.1Low224 Ų224104.7 Ų104.785%0.84564%0.644SS**  trans-49.5103.6-174.6-69.3-176-164.7-156.72.4109.9G363G363-R365 PolarHBondContact O-N 2.97Å; G363-R365 VanDerWaalsContact O-N 3.16Å
366R73.4Confident61.2Low187 Ų187101.5 Ų101.571%0.70662%0.619SS**  trans-81.8125.7171.5-73.1-176.6165.8-160.2-0.2106.9G364 T368 F376G364-R366 PolarHBondContact O-N 3.14Å; R366-T368 PolarHBondContact O-N 3.37Å; R366-F376 CarbonylContact C-O 3.54Å; R366-F376 WeakPolarHBondContact CA-O 3.46Å
367H81.5Confident63.6Low65 Ų6595.9 Ų95.930%0.30160%0.6SS.*EExtended strand (participates in β ladder)trans-87.2107.1179.9-67.5-81.6000108.9F376 H378 A379 L382H367-F376 PolarHBondContact N-O 3.41Å; H367-F376 WeakPolarHBondContact O-CB 3.29Å; H367-F376 WeakPolarHBondContact O-CD2 3.48Å; H367-F376 PolarHBondContact O-N 2.77Å; H367-H378 VanDerWaalsContact CD2-C 3.42Å; H367-A379 PolarHBondContact CD2-N 3.24Å; H367-A379 PolarHBondContact NE2-N 3.07Å; H367-L382 HydrophobicContact CB-CB 3.88Å; H367-L382 HydrophobicContact CB-CD2 3.69Å; H367-L382 HydrophobicContact CB-CG 4.38Å
368T84.4Confident66Low72 Ų7296.5 Ų96.544%0.44259%0.586SS.*EExtended strand (participates in β ladder)trans-91.6147-178.445.80000111.9R366 K374 L382R366-T368 PolarHBondContact O-N 3.37Å; T368-K374 CarbonylContact C-O 3.48Å; T368-K374 WeakPolarHBondContact CA-O 3.39Å; T368-L382 VanDerWaalsContact C-CD1 3.5Å; T368-L382 WeakPolarHBondContact O-CD1 3.24Å; T368-L382 WeakPolarHBondContact O-CD2 3.43Å
369C84.9Confident68.1Low1 Ų194.8 Ų94.81%0.00756%0.564CS.*  trans-90.4118.9172.9-175.80000110.6L371 C372 G373 K374 F376 L382 H385C369-L371 PolarHBondContact O-N 3.47Å; C369-C372 PolarHBondContact O-N 3.24Å; C369-G373 VanDerWaalsContact O-CA 3.25Å; C369-G373 WeakPolarHBondContact O-CA 3.27Å; C369-G373 PolarHBondContact O-N 3.33Å; C369-K374 PolarHBondContact N-O 3.12Å; C369-F376 HydrophobicContact CB-CE2 4.29Å; C369-L382 HydrophobicContact CB-CD1 3.49Å; C369-L382 VanDerWaalsContact CB-CD1 3.49Å; C369-H385 VanDerWaalsContact SG-CD2 3.56Å
370D78.1Confident70.2Confident137 Ų13793.9 Ų93.973%0.73355%0.551SS**THydrogen-bonded Turntrans-66.1-21.7-176.5-48.4-51.9000113
371L75.4Confident72.3Confident128 Ų12895.8 Ų95.867%0.6753%0.532SS*.THydrogen-bonded Turntrans-85-22.3-179.4-62.7177.3000114.2C369 H389C369-L371 PolarHBondContact O-N 3.47Å; L371-H389 HydrophobicContact CD1-CB 3.75Å
372C81.3Confident74.5Confident52 Ų5288 Ų8835%0.35150%0.497SS..THydrogen-bonded Turntrans-14814.2-177.578.60000114.8C369 K374 H385 H389C369-C372 PolarHBondContact O-N 3.24Å; C372-K374 PolarHBondContact O-N 3.34Å; C372-K374 VanDerWaalsContact SG-CG 3.58Å; C372-H385 PolarHBondContact SG-NE2 2.94Å; C372-H389 PolarHBondContact SG-NE2 3.28Å; C372-H389 VanDerWaalsContact SG-NE2 3.43Å
373G77.5Confident76.3Confident58 Ų5885.9 Ų85.960%0.59848%0.481SS*.  trans66.33175.600000116.5C369 S375C369-G373 VanDerWaalsContact O-CA 3.25Å; C369-G373 WeakPolarHBondContact O-CA 3.27Å; C369-G373 PolarHBondContact O-N 3.33Å; G373-S375 PolarHBondContact O-N 2.98Å
374K81.7Confident78Confident118 Ų11890.4 Ų90.451%0.51348%0.478SS..  trans-71.1125.2-173.6-73.7177.4-170.71740111T368 C369 C372 F376T368-K374 CarbonylContact C-O 3.48Å; T368-K374 WeakPolarHBondContact CA-O 3.39Å; C369-K374 PolarHBondContact N-O 3.12Å; C372-K374 PolarHBondContact O-N 3.34Å; C372-K374 VanDerWaalsContact SG-CG 3.58Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 VanDerWaalsContact O-CD2 3.28Å; K374-F376 WeakPolarHBondContact O-CD2 3.37Å; K374-F376 VanDerWaalsContact O-CE2 3.23Å; K374-F376 WeakPolarHBondContact O-CE2 3.48Å
375S80.7Confident79.3Confident57 Ų5788.5 Ų88.540%0.39945%0.451SS..EExtended strand (participates in β ladder)trans-90.6130.3178.475.30000112G373G373-S375 PolarHBondContact O-N 2.98Å
376F80.9Confident80.3Confident44 Ų4481.1 Ų81.119%0.19343%0.426CS..EExtended strand (participates in β ladder)trans-118.3147179.5-61.8-85000111.1R366 H367 C369 K374 H378 R381 L382 H385R366-F376 CarbonylContact C-O 3.54Å; R366-F376 WeakPolarHBondContact CA-O 3.46Å; H367-F376 PolarHBondContact N-O 3.41Å; H367-F376 WeakPolarHBondContact O-CB 3.29Å; H367-F376 WeakPolarHBondContact O-CD2 3.48Å; H367-F376 PolarHBondContact O-N 2.77Å; C369-F376 HydrophobicContact CB-CE2 4.29Å; K374-F376 HydrophobicContact CB-CE2 3.63Å; K374-F376 HydrophobicContact CB-CZ 3.81Å; K374-F376 VanDerWaalsContact O-CD2 3.28Å; K374-F376 WeakPolarHBondContact O-CD2 3.37Å; K374-F376 VanDerWaalsContact O-CE2 3.23Å; K374-F376 WeakPolarHBondContact O-CE2 3.48Å; F376-H378 VanDerWaalsContact C-N 3.29Å; F376-H378 PolarHBondContact O-N 3.29Å; F376-R381 HydrophobicContact CB-CB 4.17Å; F376-R381 HydrophobicContact CD1-CB 3.91Å; F376-R381 HydrophobicContact CG-CB 4.26Å; F376-L382 HydrophobicContact CB-CB 4.34Å; F376-L382 HydrophobicContact CD2-CB 4.01Å; F376-L382 HydrophobicContact CD2-CD1 3.89Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å; F376-L382 HydrophobicContact CG-CB 4.39Å; F376-H385 HydrophobicContact CE1-CB 4.08Å; F376-H385 HydrophobicContact CE2-CB 3.83Å; F376-H385 AromaticContact CE2-CD2 3.25Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.5Å; F376-H385 AromaticContact CE2-CG 3.61Å; F376-H385 HydrophobicContact CZ-CB 3.48Å; F376-H385 VanDerWaalsContact CZ-CB 3.48Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.44Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.92Å
377S82.3Confident80.6Confident68 Ų6878.6 Ų78.648%0.47642%0.423SS..SBendtrans-74.3-15.8178.859.80000114.4R381S377-R381 PolarHBondContact OG-NH1 2.84Å
378H82.3Confident80.1Confident111 Ų11179.3 Ų79.351%0.51443%0.432SS..SBendtrans-143.5143.2-179.5-71.6-79.3000111.4H367 F376 S380 R381 L382H367-H378 VanDerWaalsContact CD2-C 3.42Å; F376-H378 VanDerWaalsContact C-N 3.29Å; F376-H378 PolarHBondContact O-N 3.29Å; H378-S380 PolarHBondContact O-N 3.28Å; H378-R381 PolarHBondContact O-N 2.96Å; H378-L382 PolarHBondContact O-N 2.96Å
379A79.1Confident79.6Confident45 Ų4579.6 Ų79.637%0.37243%0.428SS..Hα-helixtrans-54.5-37.8177.500000113H367 R381 L382 V383H367-A379 PolarHBondContact CD2-N 3.24Å; H367-A379 PolarHBondContact NE2-N 3.07Å; A379-R381 PolarHBondContact O-N 3.04Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.16Å; A379-V383 WeakPolarHBondContact O-CG2 3.1Å; A379-V383 PolarHBondContact O-N 3.27Å
380S78.8Confident78.5Confident89 Ų8983.2 Ų83.262%0.62247%0.465SS*.Hα-helixtrans-62.9-29.6179.3560000113.5H378 R384H378-S380 PolarHBondContact O-N 3.28Å; S380-R384 PolarHBondContact O-N 3.11Å
381R78.8Confident77.5Confident124 Ų12480.2 Ų80.247%0.46846%0.459SS..Hα-helixtrans-79.5-36.5175.3-69.5-174.6177.4154.6-3.3111.9F376 S377 H378 A379 H385F376-R381 HydrophobicContact CB-CB 4.17Å; F376-R381 HydrophobicContact CD1-CB 3.91Å; F376-R381 HydrophobicContact CG-CB 4.26Å; S377-R381 PolarHBondContact OG-NH1 2.84Å; H378-R381 PolarHBondContact O-N 2.96Å; A379-R381 PolarHBondContact O-N 3.04Å; R381-H385 VanDerWaalsContact O-CB 3.32Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.49Å
382L84.7Confident75.9Confident18 Ų1877 Ų779%0.09446%0.457CS..Hα-helixtrans-61.3-49.9173.4170.861.4000111.1H367 T368 C369 F376 H378 A379 R384 H385 Q386H367-L382 HydrophobicContact CB-CB 3.88Å; H367-L382 HydrophobicContact CB-CD2 3.69Å; H367-L382 HydrophobicContact CB-CG 4.38Å; T368-L382 VanDerWaalsContact C-CD1 3.5Å; T368-L382 WeakPolarHBondContact O-CD1 3.24Å; T368-L382 WeakPolarHBondContact O-CD2 3.43Å; C369-L382 HydrophobicContact CB-CD1 3.49Å; C369-L382 VanDerWaalsContact CB-CD1 3.49Å; F376-L382 HydrophobicContact CB-CB 4.34Å; F376-L382 HydrophobicContact CD2-CB 4.01Å; F376-L382 HydrophobicContact CD2-CD1 3.89Å; F376-L382 HydrophobicContact CE2-CD1 4.17Å; F376-L382 HydrophobicContact CG-CB 4.39Å; H378-L382 PolarHBondContact O-N 2.96Å; A379-L382 WeakPolarHBondContact O-CB 3.12Å; A379-L382 PolarHBondContact O-N 3.25Å; A379-L382 VanDerWaalsContact O-N 3.16Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.19Å; L382-H385 CarbonylContact O-C 3.54Å; L382-H385 WeakPolarHBondContact O-CA 3.38Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 3.28Å; L382-Q386 HydrophobicContact CD1-CG 4.05Å; L382-Q386 HydrophobicContact CG-CG 4.48Å; L382-Q386 PolarHBondContact O-N 3.05Å
383V80.9Confident74.3Confident75 Ų7581.1 Ų81.146%0.45548%0.483SS..Hα-helixtrans-59.1-43.6-179.8171.50000111.3A379 H385 Q386 Q387A379-V383 WeakPolarHBondContact O-CG2 3.1Å; A379-V383 PolarHBondContact O-N 3.27Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.07Å; V383-Q386 PolarHBondContact O-N 3.36Å; V383-Q387 WeakPolarHBondContact O-CG 3.26Å; V383-Q387 PolarHBondContact O-N 3.23Å
384R79.1Confident73.1Confident161 Ų16181.7 Ų81.761%0.60849%0.49SS*.Hα-helixtrans-65-34.1175.4-174.2175.562.5179.52.6112.6S380 L382S380-R384 PolarHBondContact O-N 3.11Å; L382-R384 VanDerWaalsContact C-N 3.32Å; L382-R384 PolarHBondContact O-N 3.19Å
385H81.1Confident70.9Confident24 Ų2485.4 Ų85.411%0.11151%0.506CS..Hα-helixtrans-74.2-36.6176.8172.160.5000112.2C369 C372 F376 R381 L382 V383 Q387 T388 H389C369-H385 VanDerWaalsContact SG-CD2 3.56Å; C372-H385 PolarHBondContact SG-NE2 2.94Å; F376-H385 HydrophobicContact CE1-CB 4.08Å; F376-H385 HydrophobicContact CE2-CB 3.83Å; F376-H385 AromaticContact CE2-CD2 3.25Å; F376-H385 WeakPolarHBondContact CE2-CD2 3.5Å; F376-H385 AromaticContact CE2-CG 3.61Å; F376-H385 HydrophobicContact CZ-CB 3.48Å; F376-H385 VanDerWaalsContact CZ-CB 3.48Å; F376-H385 AromaticContact CZ-CD2 3.34Å; F376-H385 WeakPolarHBondContact CZ-CD2 3.44Å; F376-H385 AromaticContact CZ-CG 3.24Å; F376-H385 AromaticContact CZ-ND1 3.92Å; R381-H385 VanDerWaalsContact O-CB 3.32Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.49Å; L382-H385 CarbonylContact O-C 3.54Å; L382-H385 WeakPolarHBondContact O-CA 3.38Å; L382-H385 WeakPolarHBondContact O-CB 3.48Å; L382-H385 PolarHBondContact O-N 3.28Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.07Å; H385-Q387 PolarHBondContact O-N 2.89Å; H385-T388 PolarHBondContact ND1-OG1 2.86Å; H385-T388 WeakPolarHBondContact O-CB 3.3Å; H385-T388 PolarHBondContact O-N 3.45Å; H385-T388 PolarHBondContact O-OG1 3.08Å; H385-H389 AromaticContact CE1-NE2 3.59Å; H385-H389 AromaticContact NE2-NE2 3.29Å; H385-H389 PolarHBondContact NE2-NE2 3.31Å
386Q80.2Confident69.3Low69 Ų6988.7 Ų88.732%0.32253%0.526SS..Hα-helixtrans-60.4-35.4172.6-75.3169.7-27.800111.9L382 V383 T388 H389L382-Q386 HydrophobicContact CD1-CG 4.05Å; L382-Q386 HydrophobicContact CG-CG 4.48Å; L382-Q386 PolarHBondContact O-N 3.05Å; V383-Q386 PolarHBondContact O-N 3.36Å; Q386-T388 PolarHBondContact O-N 2.97Å; Q386-H389 PolarHBondContact O-N 3.26Å; Q386-H389 VanDerWaalsContact O-N 3.17Å
387Q78.3Confident67.2Low134 Ų13493.1 Ų93.163%0.62656%0.556SS**Hα-helixtrans-65-19.5173.6-68.4170.2900113.8V383 H385 G390V383-Q387 WeakPolarHBondContact O-CG 3.26Å; V383-Q387 PolarHBondContact O-N 3.23Å; H385-Q387 PolarHBondContact O-N 2.89Å; Q387-G390 PolarHBondContact O-N 3.19Å
388T71.6Confident65.2Low81 Ų8197.7 Ų97.750%0.49757%0.574SS.*Hα-helixtrans-76.9-22.8175.563.30000113.1H385 Q386 G390 A391H385-T388 PolarHBondContact ND1-OG1 2.86Å; H385-T388 WeakPolarHBondContact O-CB 3.3Å; H385-T388 PolarHBondContact O-N 3.45Å; H385-T388 PolarHBondContact O-OG1 3.08Å; Q386-T388 PolarHBondContact O-N 2.97Å; T388-G390 VanDerWaalsContact C-N 3.31Å; T388-A391 PolarHBondContact O-N 3.13Å
389H73.6Confident63.2Low78 Ų7899 Ų9936%0.36159%0.59SS.*Hα-helixtrans-73.4-25172.7-64.7-62.3000112.4L371 C372 H385 Q386 A391L371-H389 HydrophobicContact CD1-CB 3.75Å; C372-H389 PolarHBondContact SG-NE2 3.28Å; C372-H389 VanDerWaalsContact SG-NE2 3.43Å; H385-H389 AromaticContact CE1-NE2 3.59Å; H385-H389 AromaticContact NE2-NE2 3.29Å; H385-H389 PolarHBondContact NE2-NE2 3.31Å; Q386-H389 PolarHBondContact O-N 3.26Å; Q386-H389 VanDerWaalsContact O-N 3.17Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.3Å
390G62Low60.9Low76 Ų76106.6 Ų106.678%0.78462%0.615SS**THydrogen-bonded Turntrans-81-2.5174.700000114.9Q387 T388Q387-G390 PolarHBondContact O-N 3.19Å; T388-G390 VanDerWaalsContact C-N 3.31Å
391A57.1Low59.3Low74 Ų74108.4 Ų108.461%0.61263%0.625SS**  trans-122.362.8-177.600000110.8T388 H389T388-A391 PolarHBondContact O-N 3.13Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.3Å
392G41.4Very low57.6Low61 Ų61106 Ų10663%0.62964%0.638SS**  trans-75.2150.7164.800000111.6
393P49.2Very low55.2Low138 Ų138113.2 Ų113.290%0.89668%0.676SS**SBendtrans-80.8123.9-174.832.5-30.7000110.7
394G51.1Low53Low71 Ų71114.7 Ų114.773%0.73270%0.696SS**SBendtrans95.583163.100000116
395K35.5Very low51.1Low196 Ų196113 Ų11385%0.85270%0.703SS**  trans-179.4146.2134-98168.4-173.1-172.30109.5V397K395-V397 PolarHBondContact O-N 3.27Å
396P47Very low49.3Very low126 Ų126116.5 Ų116.582%0.81874%0.737SS**PPolyproline II helixtrans-78.6122.8-177.332.3-29.8000109
397V38.1Very low47.7Very low137 Ų137122.1 Ų122.183%0.8376%0.76SS**PPolyproline II helixtrans-97.2116.2176.7177.20000109.4K395 T399K395-V397 PolarHBondContact O-N 3.27Å; V397-T399 PolarHBondContact O-N 3.37Å
398L39Very low47Very low164 Ų164120.3 Ų120.386%0.85976%0.762SS**PPolyproline II helixtrans-48.3123.3166.7-80.5138.8000111.5
399T40.8Very low47.1Very low138 Ų138123.8 Ų123.885%0.84777%0.77SS**PPolyproline II helixtrans-76.6121.4166.947.20000109.9V397V397-T399 PolarHBondContact O-N 3.37Å
400K31.4Very low47.4Very low204 Ų204124.5 Ų124.589%0.88778%0.78SS**PPolyproline II helixtrans-99.3145.9155.7-92.6-174.5178177.90110.2
401P44.7Very low48.5Very low128 Ų128124.8 Ų124.883%0.83176%0.758SS**PPolyproline II helixtrans-95.4150.4-153.936.5-31.6000112.3
402G41.9Very low49.8Very low72 Ų72124.8 Ų124.874%0.74275%0.751SS**  trans140.551163.500000116.9
403L36Very low51.9Low170 Ų170122.1 Ų122.189%0.8972%0.722SS**SBendtrans-169.4134142.3-137.859.8000109.4T405L403-T405 PolarHBondContact O-N 3.42Å
404A33.9Very low53.4Low107 Ų107120.2 Ų120.288%0.88472%0.718SS**  trans-50.3116.9-166.900000114A406A404-A406 PolarHBondContact O-N 3.26Å
405T38.7Very low54.6Low124 Ų124120.5 Ų120.576%0.76171%0.714SS**  trans-68.7115-174.750.50000112.8L403 K407L403-T405 PolarHBondContact O-N 3.42Å; T405-K407 PolarHBondContact O-N 3.39Å
406A43.8Very low56.9Low98 Ų98113.1 Ų113.181%0.8169%0.686SS**  trans-70.7109.3153.500000107.7A404 S408A404-A406 PolarHBondContact O-N 3.26Å; A406-S408 PolarHBondContact O-N 3.49Å
407K47.7Very low58.6Low188 Ų188112.9 Ų112.982%0.81768%0.678SS**  trans-52.3102.9180-63.9174.5-178.8178.30110.2T405 K409T405-K407 PolarHBondContact O-N 3.39Å; K407-K409 PolarHBondContact O-N 3.31Å
408S62.1Low60.8Low95 Ų95112.3 Ų112.366%0.66466%0.664SS**  trans-69.893.3171.942.90000108.3A406 T410A406-S408 PolarHBondContact O-N 3.49Å; S408-T410 PolarHBondContact O-N 3.21Å
409K73.3Confident62.9Low155 Ų155109.3 Ų109.367%0.67465%0.653SS**  trans-62.8108.9175.3-72.9175.1179176.80108.6K407 Y411K407-K409 PolarHBondContact O-N 3.31Å; K409-Y411 HydrophobicContact CB-CE2 4.4Å; K409-Y411 WeakPolarHBondContact O-CD2 3.48Å; K409-Y411 WeakPolarHBondContact O-CE2 3.25Å
410T81.7Confident64.9Low93 Ų93104.9 Ų104.957%0.57162%0.622SS**  trans-82.6142.7169.449.80000109.4S408S408-T410 PolarHBondContact O-N 3.21Å
411Y83.7Confident67.5Low81 Ų81101.6 Ų101.632%0.31861%0.612SS.*EExtended strand (participates in β ladder)trans-113.2116.4-176.7-63-91.6000109.2K409 T419 F420 F426K409-Y411 HydrophobicContact CB-CE2 4.4Å; K409-Y411 WeakPolarHBondContact O-CD2 3.48Å; K409-Y411 WeakPolarHBondContact O-CE2 3.25Å; Y411-T419 CarbonylContact O-C 3.59Å; Y411-F420 PolarHBondContact N-O 2.72Å; Y411-F420 PolarHBondContact O-N 3.41Å; Y411-F426 HydrophobicContact CD1-CD1 4.13Å; Y411-F426 HydrophobicContact CD1-CG 4.44Å; Y411-F426 HydrophobicContact CG-CB 4.17Å; Y411-F426 HydrophobicContact CG-CD1 4.38Å; Y411-F426 HydrophobicContact CG-CG 4.23Å
412V85.9Confident69.3Low74 Ų74101.1 Ų101.145%0.44860%0.598SS.*EExtended strand (participates in β ladder)trans-105.5130.8-177.2-1720000110.2A414 T419 F426V412-A414 PolarHBondContact O-N 3.08Å; V412-T419 HydrophobicContact CB-CG2 4.5Å; V412-T419 HydrophobicContact CG1-CG2 4.24Å; V412-T419 HydrophobicContact CG2-CG2 3.75Å; V412-F426 VanDerWaalsContact O-CE2 3.3Å; V412-F426 WeakPolarHBondContact O-CE2 3.36Å
413C85.3Confident71.2Confident5 Ų5100.6 Ų100.63%0.03458%0.583CS.*  trans-80.9114176.4-175.40000110.7A415 C416 N417 K418 F420 F426 H429C413-A415 PolarHBondContact O-N 3.41Å; C413-C416 PolarHBondContact O-N 2.58Å; C413-N417 WeakPolarHBondContact O-CA 3.42Å; C413-N417 PolarHBondContact O-N 3.25Å; C413-K418 PolarHBondContact N-O 2.98Å; C413-F420 HydrophobicContact CB-CE2 4.41Å; C413-F426 HydrophobicContact CB-CE2 4.07Å; C413-H429 WeakPolarHBondContact CB-NE2 3.38Å; C413-H429 PolarHBondContact SG-NE2 3.04Å
414A80.6Confident73.3Confident98 Ų9896.4 Ų96.481%0.8157%0.568SS**THydrogen-bonded Turntrans-62.7-23.118000000114.1V412V412-A414 PolarHBondContact O-N 3.08Å
415A76.3Confident75.8Confident77 Ų7793.8 Ų93.864%0.63654%0.543SS*.THydrogen-bonded Turntrans-82.4-23.5-177.900000114C413C413-A415 PolarHBondContact O-N 3.41Å
416C83.6Confident78.1Confident41 Ų4189.8 Ų89.828%0.27752%0.515SS..THydrogen-bonded Turntrans-144.39.7-177.569.90000114.2C413 K418 H429 H433C413-C416 PolarHBondContact O-N 2.58Å; C416-K418 PolarHBondContact O-N 3.25Å; C416-H429 PolarHBondContact SG-CE1 3.3Å; C416-H429 PolarHBondContact SG-NE2 3.1Å; C416-H433 PolarHBondContact SG-NE2 3.35Å
417N81.8Confident80.1Confident122 Ų12288.6 Ų88.665%0.65250%0.501SS*.  trans52.319.2179.9-65.3-32.6000116.2C413C413-N417 WeakPolarHBondContact O-CA 3.42Å; C413-N417 PolarHBondContact O-N 3.25Å
418K84.1Confident81.8Confident124 Ų12487.7 Ų87.754%0.53949%0.493SS..  trans-73.4131.7175.4-68.2-180-172.7-177.20110.9C413 C416 F420C413-K418 PolarHBondContact N-O 2.98Å; C416-K418 PolarHBondContact O-N 3.25Å; K418-F420 HydrophobicContact CB-CE2 3.62Å; K418-F420 HydrophobicContact CB-CZ 3.95Å; K418-F420 WeakPolarHBondContact O-CD2 3.36Å; K418-F420 WeakPolarHBondContact O-CE2 3.41Å
419T83.2Confident82.9Confident101 Ų10184.8 Ų84.862%0.6247%0.468SS*.EExtended strand (participates in β ladder)trans-97.3130.6179.761.70000111.5Y411 V412Y411-T419 CarbonylContact O-C 3.59Å; V412-T419 HydrophobicContact CB-CG2 4.5Å; V412-T419 HydrophobicContact CG1-CG2 4.24Å; V412-T419 HydrophobicContact CG2-CG2 3.75Å
420F83.4Confident83.5Confident45 Ų4582.9 Ų82.920%0.19746%0.46CS..EExtended strand (participates in β ladder)trans-120.8136.4-179.4-62.7-90.9000110.2Y411 C413 K418 H422 F426 H429Y411-F420 PolarHBondContact N-O 2.72Å; Y411-F420 PolarHBondContact O-N 3.41Å; C413-F420 HydrophobicContact CB-CE2 4.41Å; K418-F420 HydrophobicContact CB-CE2 3.62Å; K418-F420 HydrophobicContact CB-CZ 3.95Å; K418-F420 WeakPolarHBondContact O-CD2 3.36Å; K418-F420 WeakPolarHBondContact O-CE2 3.41Å; F420-H422 VanDerWaalsContact C-N 3.33Å; F420-F426 HydrophobicContact CB-CB 4.06Å; F420-F426 HydrophobicContact CD2-CB 4.42Å; F420-F426 AromaticContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CG-CB 4.33Å; F420-H429 HydrophobicContact CE1-CB 4.01Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.21Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.16Å; F420-H429 AromaticContact CE2-CG 3.57Å; F420-H429 AromaticContact CE2-NE2 3.72Å; F420-H429 HydrophobicContact CZ-CB 3.57Å; F420-H429 AromaticContact CZ-CD2 3.39Å; F420-H429 WeakPolarHBondContact CZ-CD2 3.31Å; F420-H429 AromaticContact CZ-CE1 4Å; F420-H429 AromaticContact CZ-CG 3.22Å; F420-H429 AromaticContact CZ-ND1 3.64Å; F420-H429 AromaticContact CZ-NE2 3.85Å
421M85.3Confident83.7Confident136 Ų13684.8 Ų84.867%0.6746%0.46SS*.SBendtrans-78.3-18.1177.1-64.7-166.175.600113.4
422H82.6Confident83.6Confident117 Ų11783.3 Ų83.354%0.54247%0.465SS..SBendtrans-125.7137.1-175-55.3104.8000111.6F420 S424 S425 F426F420-H422 VanDerWaalsContact C-N 3.33Å; H422-S424 VanDerWaalsContact C-N 3.27Å; H422-S424 PolarHBondContact O-N 3.21Å; H422-S425 PolarHBondContact O-N 3.27Å; H422-F426 PolarHBondContact O-N 3.38Å
423S81.9Confident83.4Confident62 Ų6282.9 Ų82.943%0.43446%0.458SS..Hα-helixtrans-61.6-32.1178.359.30000113.2F426 S427S423-F426 PolarHBondContact O-N 3.34Å; S423-S427 WeakPolarHBondContact O-CB 3.43Å; S423-S427 PolarHBondContact O-N 3.29Å; S423-S427 PolarHBondContact O-OG 3.06Å; S423-S427 VanDerWaalsContact O-OG 3.08Å
424S81Confident83Confident82 Ų8288 Ų8857%0.57349%0.485SS*.Hα-helixtrans-68.8-40.7177.552.10000112.7H422 R428H422-S424 VanDerWaalsContact C-N 3.27Å; H422-S424 PolarHBondContact O-N 3.21Å; S424-R428 WeakPolarHBondContact O-CB 3.5Å; S424-R428 PolarHBondContact O-N 3.29Å; S424-R428 VanDerWaalsContact O-N 3.13Å
425S84.8Confident82.8Confident52 Ų5288.7 Ų88.736%0.36447%0.471SS..Hα-helixtrans-67.2-42.5174.4-57.70000111.1H422 R428 H429H422-S425 PolarHBondContact O-N 3.27Å; S425-R428 PolarHBondContact O-N 3.38Å; S425-H429 WeakPolarHBondContact O-CB 3.44Å; S425-H429 PolarHBondContact O-N 2.95Å
426F88.6Confident82.6Confident39 Ų3987.5 Ų87.517%0.17146%0.461CS..Hα-helixtrans-60.8-47.8174.9176.7-109.5000112.6Y411 V412 C413 F420 H422 S423 R428 H429 K430Y411-F426 HydrophobicContact CD1-CD1 4.13Å; Y411-F426 HydrophobicContact CD1-CG 4.44Å; Y411-F426 HydrophobicContact CG-CB 4.17Å; Y411-F426 HydrophobicContact CG-CD1 4.38Å; Y411-F426 HydrophobicContact CG-CG 4.23Å; V412-F426 VanDerWaalsContact O-CE2 3.3Å; V412-F426 WeakPolarHBondContact O-CE2 3.36Å; C413-F426 HydrophobicContact CB-CE2 4.07Å; F420-F426 HydrophobicContact CB-CB 4.06Å; F420-F426 HydrophobicContact CD2-CB 4.42Å; F420-F426 AromaticContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CD2-CD2 3.96Å; F420-F426 HydrophobicContact CG-CB 4.33Å; H422-F426 PolarHBondContact O-N 3.38Å; S423-F426 PolarHBondContact O-N 3.34Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 3.46Å; F426-H429 PolarHBondContact O-N 3.04Å; F426-K430 HydrophobicContact CE1-CD 4.43Å; F426-K430 HydrophobicContact CZ-CD 4.49Å; F426-K430 WeakPolarHBondContact O-CB 3.17Å; F426-K430 PolarHBondContact O-N 3.13Å
427S84.2Confident81.8Confident73 Ų7388 Ų8851%0.5147%0.469SS..Hα-helixtrans-63.9-38.3179.4-69.30000112.6S423 K431S423-S427 WeakPolarHBondContact O-CB 3.43Å; S423-S427 PolarHBondContact O-N 3.29Å; S423-S427 PolarHBondContact O-OG 3.06Å; S423-S427 VanDerWaalsContact O-OG 3.08Å; S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.2Å
428R85Confident81.1Confident170 Ų17089 Ų8964%0.64247%0.469SS*.Hα-helixtrans-65.6-42.8175.6-166.2178.6-67.1-146-6.7111.2E313 S424 S425 F426 K431 A432E313-R428 IonicContact OE1-CZ 3.57Å; E313-R428 IonicContact OE1-NH1 2.74Å; E313-R428 PolarHBondContact OE1-NH1 3.21Å; E313-R428 IonicContact OE1-NH2 3.66Å; S424-R428 WeakPolarHBondContact O-CB 3.5Å; S424-R428 PolarHBondContact O-N 3.29Å; S424-R428 VanDerWaalsContact O-N 3.13Å; S425-R428 PolarHBondContact O-N 3.38Å; F426-R428 VanDerWaalsContact C-N 3.34Å; F426-R428 PolarHBondContact O-N 3.46Å; R428-K431 PolarHBondContact O-N 3.38Å; R428-A432 PolarHBondContact O-N 3.14Å; R428-A432 VanDerWaalsContact O-N 3.16Å
429H85.1Confident80.2Confident33 Ų3389.1 Ų89.115%0.15348%0.475CS..Hα-helixtrans-66.8-41.7177172.772.8000112.9C413 C416 F420 S425 F426 K431 A432 H433C413-H429 WeakPolarHBondContact CB-NE2 3.38Å; C413-H429 PolarHBondContact SG-NE2 3.04Å; C416-H429 PolarHBondContact SG-CE1 3.3Å; C416-H429 PolarHBondContact SG-NE2 3.1Å; F420-H429 HydrophobicContact CE1-CB 4.01Å; F420-H429 HydrophobicContact CE2-CB 4.02Å; F420-H429 AromaticContact CE2-CD2 3.21Å; F420-H429 WeakPolarHBondContact CE2-CD2 3.16Å; F420-H429 AromaticContact CE2-CG 3.57Å; F420-H429 AromaticContact CE2-NE2 3.72Å; F420-H429 HydrophobicContact CZ-CB 3.57Å; F420-H429 AromaticContact CZ-CD2 3.39Å; F420-H429 WeakPolarHBondContact CZ-CD2 3.31Å; F420-H429 AromaticContact CZ-CE1 4Å; F420-H429 AromaticContact CZ-CG 3.22Å; F420-H429 AromaticContact CZ-ND1 3.64Å; F420-H429 AromaticContact CZ-NE2 3.85Å; S425-H429 WeakPolarHBondContact O-CB 3.44Å; S425-H429 PolarHBondContact O-N 2.95Å; F426-H429 PolarHBondContact O-N 3.04Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 2.76Å; H429-A432 WeakPolarHBondContact O-CB 3.36Å; H429-A432 PolarHBondContact O-N 3.16Å; H429-H433 AromaticContact CE1-CD2 3.54Å; H429-H433 AromaticContact CE1-NE2 3.11Å; H429-H433 PolarHBondContact CE1-NE2 3.07Å; H429-H433 AromaticContact NE2-CD2 3.47Å; H429-H433 PolarHBondContact NE2-CD2 3.06Å; H429-H433 AromaticContact NE2-NE2 3.25Å; H429-H433 PolarHBondContact NE2-NE2 2.86Å; H429-H433 PolarHBondContact O-CD2 3.34Å; H429-H433 PolarHBondContact O-N 3.28Å
430K86.2Confident79.3Confident116 Ų11691.1 Ų91.150%0.50448%0.477SS..Hα-helixtrans-61.7-39.5174.2-173.4178.6179.9-178.50111.7F426 A432 H433 L434F426-K430 HydrophobicContact CE1-CD 4.43Å; F426-K430 HydrophobicContact CZ-CD 4.49Å; F426-K430 WeakPolarHBondContact O-CB 3.17Å; F426-K430 PolarHBondContact O-N 3.13Å; K430-A432 VanDerWaalsContact C-N 3.34Å; K430-A432 PolarHBondContact O-N 2.99Å; K430-H433 PolarHBondContact O-N 3.24Å; K430-L434 PolarHBondContact O-N 3.32Å
431K85.4Confident78.2Confident132 Ų13291.8 Ų91.857%0.57449%0.491SS*.Hα-helixtrans-64.7-37.2176.9-168.7173.4-178.8177.30112.3S427 R428 H429 H433 L434 Q435S427-K431 WeakPolarHBondContact O-CB 3.48Å; S427-K431 PolarHBondContact O-N 3.2Å; R428-K431 PolarHBondContact O-N 3.38Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 2.76Å; K431-H433 VanDerWaalsContact C-N 3.34Å; K431-H433 PolarHBondContact O-N 3.44Å; K431-L434 PolarHBondContact O-N 3.25Å; K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.16Å
432A82.2Confident77Confident51 Ų5187.1 Ų87.142%0.42147%0.474SS..Hα-helixtrans-63-38.5175.500000112.5R428 H429 K430 Q435 A436R428-A432 PolarHBondContact O-N 3.14Å; R428-A432 VanDerWaalsContact O-N 3.16Å; H429-A432 WeakPolarHBondContact O-CB 3.36Å; H429-A432 PolarHBondContact O-N 3.16Å; K430-A432 VanDerWaalsContact C-N 3.34Å; K430-A432 PolarHBondContact O-N 2.99Å; A432-Q435 PolarHBondContact O-N 3.14Å; A432-A436 WeakPolarHBondContact O-CB 3.49Å; A432-A436 PolarHBondContact O-N 3.36Å
433H81.4Confident75.9Confident64 Ų6484.7 Ų84.730%0.29647%0.474SS..Hα-helixtrans-65.1-41.1174.3-81.6-70.6000112.9C416 H429 K430 K431 Q435 A436 A437C416-H433 PolarHBondContact SG-NE2 3.35Å; H429-H433 AromaticContact CE1-CD2 3.54Å; H429-H433 AromaticContact CE1-NE2 3.11Å; H429-H433 PolarHBondContact CE1-NE2 3.07Å; H429-H433 AromaticContact NE2-CD2 3.47Å; H429-H433 PolarHBondContact NE2-CD2 3.06Å; H429-H433 AromaticContact NE2-NE2 3.25Å; H429-H433 PolarHBondContact NE2-NE2 2.86Å; H429-H433 PolarHBondContact O-CD2 3.34Å; H429-H433 PolarHBondContact O-N 3.28Å; K430-H433 PolarHBondContact O-N 3.24Å; K431-H433 VanDerWaalsContact C-N 3.34Å; K431-H433 PolarHBondContact O-N 3.44Å; H433-Q435 VanDerWaalsContact C-N 3.33Å; H433-Q435 PolarHBondContact O-N 3.49Å; H433-A436 PolarHBondContact O-N 3.07Å; H433-A437 WeakPolarHBondContact O-CB 3.15Å; H433-A437 PolarHBondContact O-N 2.87Å
434L76.9Confident74.7Confident114 Ų11488.3 Ų88.360%0.59749%0.488SS*.Hα-helixtrans-65.9-36.7177.2-67.1173.7000112K430 K431 A437 H438K430-L434 PolarHBondContact O-N 3.32Å; K431-L434 PolarHBondContact O-N 3.25Å; L434-A437 PolarHBondContact O-N 3.3Å; L434-H438 WeakPolarHBondContact O-CB 3.46Å; L434-H438 PolarHBondContact O-N 2.78Å
435Q75.1Confident73.6Confident112 Ų11289 Ų8952%0.52349%0.493SS..Hα-helixtrans-68.4-41.3175.4-73175.2-37.700112K431 A432 H433 H438 L439K431-Q435 WeakPolarHBondContact O-CG 3.42Å; K431-Q435 PolarHBondContact O-N 3.16Å; A432-Q435 PolarHBondContact O-N 3.14Å; H433-Q435 VanDerWaalsContact C-N 3.33Å; H433-Q435 PolarHBondContact O-N 3.49Å; Q435-H438 PolarHBondContact O-N 3.05Å; Q435-L439 WeakPolarHBondContact O-CG 3.19Å; Q435-L439 PolarHBondContact O-N 3.5Å
436A72.3Confident72.2Confident52 Ų5296.9 Ų96.943%0.4352%0.515SS..Hα-helixtrans-64.1-40174.600000112.3A432 H433 L439 Q440A432-A436 WeakPolarHBondContact O-CB 3.49Å; A432-A436 PolarHBondContact O-N 3.36Å; H433-A436 PolarHBondContact O-N 3.07Å; A436-L439 PolarHBondContact O-N 3.31Å; A436-Q440 PolarHBondContact O-N 3.03Å
437A67.6Low70.2Confident52 Ų5299.4 Ų99.443%0.4354%0.537SS..Hα-helixtrans-65.6-39175.800000112.3H433 L434 L439 Q440 A441H433-A437 WeakPolarHBondContact O-CB 3.15Å; H433-A437 PolarHBondContact O-N 2.87Å; L434-A437 PolarHBondContact O-N 3.3Å; A437-L439 VanDerWaalsContact C-N 3.34Å; A437-L439 PolarHBondContact O-N 3.42Å; A437-Q440 PolarHBondContact O-N 3.49Å; A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.85Å
438H66Low68.7Low141 Ų141101.2 Ų101.265%0.65355%0.547SS*.Hα-helixtrans-66.3-35.3176-166.1-80.3000112.3L434 Q435 A442L434-H438 WeakPolarHBondContact O-CB 3.46Å; L434-H438 PolarHBondContact O-N 2.78Å; Q435-H438 PolarHBondContact O-N 3.05Å; H438-A442 WeakPolarHBondContact O-CB 3.3Å; H438-A442 PolarHBondContact O-N 3.24Å
439L66.4Low66.8Low127 Ų12798.7 Ų98.767%0.66555%0.552SS**Hα-helixtrans-70.2-37.4174.2-70.4170.9000112.3Q435 A436 A437 A443Q435-L439 WeakPolarHBondContact O-CG 3.19Å; Q435-L439 PolarHBondContact O-N 3.5Å; A436-L439 PolarHBondContact O-N 3.31Å; A437-L439 VanDerWaalsContact C-N 3.34Å; A437-L439 PolarHBondContact O-N 3.42Å; L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 2.78Å; L439-A443 VanDerWaalsContact O-N 3.08Å
440Q63.5Low65.2Low143 Ų143105 Ų10567%0.66859%0.586SS**Hα-helixtrans-66.6-40.3172.4-82.7-179.2-26.500112.3A436 A437 A443 L444A436-Q440 PolarHBondContact O-N 3.03Å; A437-Q440 PolarHBondContact O-N 3.49Å; Q440-A443 PolarHBondContact O-N 3.33Å; Q440-L444 PolarHBondContact O-N 3.24Å; Q440-L444 VanDerWaalsContact O-N 3.17Å
441A61.4Low63.5Low60 Ų60105.4 Ų105.450%0.49660%0.598SS.*Hα-helixtrans-64.9-40175.700000112.2A437 A443 L444 S445A437-A441 WeakPolarHBondContact O-CB 3.48Å; A437-A441 PolarHBondContact O-N 2.85Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 3.24Å; A441-L444 PolarHBondContact O-N 3.48Å; A441-S445 PolarHBondContact O-N 2.86Å
442A60.3Low61.6Low38 Ų38104.8 Ų104.831%0.31460%0.601SS.*Hα-helixtrans-69.8-24.2175.900000113.7H438 S445H438-A442 WeakPolarHBondContact O-CB 3.3Å; H438-A442 PolarHBondContact O-N 3.24Å; A442-S445 PolarHBondContact O-OG 3.25Å
443A57.9Low60Low66 Ų66111.3 Ų111.355%0.54562%0.623SS.*Hα-helixtrans-75.8-36173.500000111.9L439 Q440 A441 R446L439-A443 WeakPolarHBondContact O-CB 3.21Å; L439-A443 PolarHBondContact O-N 2.78Å; L439-A443 VanDerWaalsContact O-N 3.08Å; Q440-A443 PolarHBondContact O-N 3.33Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 3.24Å; A443-R446 PolarHBondContact O-N 2.87Å
444L58.2Low58.7Low138 Ų138113.9 Ų113.972%0.72364%0.643SS**Hα-helixtrans-72.4-28.6176.9-71.6167000112.9Q440 A441 R446Q440-L444 PolarHBondContact O-N 3.24Å; Q440-L444 VanDerWaalsContact O-N 3.17Å; A441-L444 PolarHBondContact O-N 3.48Å; L444-R446 PolarHBondContact O-N 3.19Å
445S56.3Low57.1Low95 Ų95112.6 Ų112.666%0.66465%0.65SS**THydrogen-bonded Turntrans-790.8174.969.90000114.2A441 A442A441-S445 PolarHBondContact O-N 2.86Å; A442-S445 PolarHBondContact O-OG 3.25Å
446R55.5Low55.7Low219 Ų219113.1 Ų113.183%0.82666%0.663SS**THydrogen-bonded Turntrans-11210.1-177.7-83.1-176.1162.9-163.3-4.1113.8A443 L444 P448A443-R446 PolarHBondContact O-N 2.87Å; L444-R446 PolarHBondContact O-N 3.19Å; R446-P448 WeakPolarHBondContact O-CD 3.49Å
447S47.3Very low54.6Low91 Ų91118.9 Ų118.964%0.63669%0.685SS**PPolyproline II helixtrans-67.2121.7170.754.40000109.7
448P52.1Low53.4Low112 Ų112125.7 Ų125.773%0.72771%0.708SS**PPolyproline II helixtrans-65.9149.3174.527.7-31.5000109.9R446 L450R446-P448 WeakPolarHBondContact O-CD 3.49Å; P448-L450 PolarHBondContact O-N 3.29Å
449P45.5Very low52.8Low116 Ų116123.8 Ų123.875%0.75371%0.71SS**PPolyproline II helixtrans-63.4129.6177.827.3-31.5000109.1V451P449-V451 PolarHBondContact O-N 2.69Å; P449-V451 VanDerWaalsContact O-N 3.08Å
450L50.8Low51.8Low166 Ų166124.6 Ų124.687%0.86972%0.716SS**  trans-65.5104.1169.9-166.490.4000106.9P448 D452P448-L450 PolarHBondContact O-N 3.29Å; L450-D452 PolarHBondContact O-N 2.78Å
451V51.7Low51.2Low124 Ų124122.7 Ų122.775%0.75272%0.718SS**  trans-72.7115.5167.6-86.80000107.8P449 E453P449-V451 PolarHBondContact O-N 2.69Å; P449-V451 VanDerWaalsContact O-N 3.08Å; V451-E453 PolarHBondContact O-N 2.87Å
452D44.5Very low50.5Low119 Ų119132.6 Ų132.664%0.63675%0.754SS**  trans-79.798.8173.8-165.2-53.6000108.2L450 T454L450-D452 PolarHBondContact O-N 2.78Å; D452-T454 PolarHBondContact O-N 3.44Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-T454 PolarHBondContact OD1-N 2.85Å; D452-T454 PolarHBondContact OD1-OG1 3.23Å
453E49.8Very low50Low188 Ų188137.3 Ų137.388%0.87978%0.776SS**  trans-81.252.1173.5-83.5-153.6109.600111.6V451V451-E453 PolarHBondContact O-N 2.87Å
454T53.8Low49.6Very low118 Ų118141.1 Ų141.172%0.72479%0.788SS**  trans-137.160.8168.161.50000112.7D452D452-T454 PolarHBondContact O-N 3.44Å; D452-T454 VanDerWaalsContact O-N 3.14Å; D452-T454 PolarHBondContact OD1-N 2.85Å; D452-T454 PolarHBondContact OD1-OG1 3.23Å
455A42.2Very low49.1Very low88 Ų88141.2 Ų141.273%0.72779%0.792SS**  trans-111.8117.1165.400000109.7
456P45.6Very low48.6Very low123 Ų123143.9 Ų143.980%0.79980%0.799SS**  trans-66.7135.9177.9-16.429.8000111.3E458P456-E458 PolarHBondContact O-N 3.42Å
457L49.2Very low48.2Very low173 Ų173139.3 Ų139.391%0.90680%0.798SS**  trans-66114.2170.9-63167.8000109
458E44.1Very low48.3Very low195 Ų195142.5 Ų142.591%0.91181%0.808SS**  trans-106.1132.6158.5-73.4-163.9112.700109.6P456P456-E458 PolarHBondContact O-N 3.42Å
459S51.8Low48Very low100 Ų100144.6 Ų144.670%0.69981%0.814SS**  trans-84167.9-166.6-45.30000113.7
460D46.8Very low48.2Very low145 Ų145146.8 Ų146.878%0.77582%0.819SS**  trans82.6141.4140.5-87.4-71.1000121.6
461S49.9Very low48Very low103 Ų103145.3 Ų145.372%0.7282%0.815SS**  trans69131.8156.9420000117.6
462E46.6Very low47.7Very low267 Ų267147.2 Ų147.2100%1.24882%0.82SS**  cis-159.206.8-111.6175.9106.400107.7

Retrieved 462 of 462 residues in 557.2 ms (Link to these results)