A0A060YRT5_ONCMY Loading...

BTB/POZ domain-containing protein KCTD7

AlphaFold DB , UniProt , Accession A0A060YRT5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 342 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.1Very low35.6Very low222 Ų222151.7 Ų151.7100%1.09484%0.836SS**  0112.20-168167.3-178.400106.1
2Q36.8Very low35.4Very low164 Ų164144.8 Ų144.877%0.76683%0.825SS**  trans66.4123177-62158.91.800115.3
3H36.5Very low35.2Very low149 Ų149147.5 Ų147.569%0.6983%0.826SS**  71.713859-71.1-58.2000112.7
4Y35.8Very low35.7Very low206 Ų206154 Ų15481%0.80883%0.831SS**  cis-154.5177.1-6.4-100.3-62000106.6
5G33.5Very low36.2Very low64 Ų64151.3 Ų151.366%0.6683%0.825SS**  cis-128.6-154.6-3.800000110.8
6S36.7Very low36.3Very low111 Ų111149.6 Ų149.678%0.77682%0.824SS**  cis88.11029.1-51.30000117.4
7D37.4Very low36.2Very low173 Ų173150.2 Ų150.293%0.92583%0.825SS**  trans-151.3153.7154.4-107.1-32.7000110.9
8E35.1Very low35.9Very low193 Ų193147.8 Ų147.890%0.90282%0.82SS**  trans-95.4174-158-68.1-173.6106.800116.7
9A35.7Very low35.7Very low103 Ų103149.9 Ų149.985%0.85182%0.82SS**  trans-72.4153.6179.200000113.9
10S35.5Very low35.5Very low123 Ų123150.8 Ų150.886%0.8682%0.824SS**  trans-125.3122.2157.564.90000111
11N33.1Very low35.3Very low161 Ų161151.3 Ų151.386%0.86183%0.826SS**  trans-81.1128.9-178.6-159.113.8000109.2
12G33.3Very low35.1Very low68 Ų68145.5 Ų145.570%0.70181%0.807SS**  trans-121.787.5-174.400000112.3
13E33.7Very low35.1Very low181 Ų181143.3 Ų143.385%0.84681%0.81SS**PPolyproline II helixtrans-63.4134.5179.7-63.9177.3112.200111.9
14R41.9Very low35.1Very low238 Ų238142 Ų14290%0.89882%0.815SS**PPolyproline II helixtrans-95.8126.7169.3-70.9-175.4-179.2-179.21109.7
15P43.1Very low34.9Very low114 Ų114140.3 Ų140.374%0.7482%0.819SS**PPolyproline II helixtrans-74.4150.5173.431.4-34.3000111.2
16P37.4Very low35.2Very low124 Ų124143 Ų14381%0.80583%0.825SS**PPolyproline II helixtrans-78.7132.517831.7-33.4000111.4S18P16-S18 PolarHBondContact O-N 3.21Å
17L34.9Very low35.1Very low160 Ų160144.6 Ų144.684%0.83883%0.83SS**  trans-88.1103.2170.8-72.6175.2000110.4
18S30.8Very low35.1Very low106 Ų106140.3 Ų140.374%0.74182%0.818SS**  trans-85.8118.4169.156.30000111P16P16-S18 PolarHBondContact O-N 3.21Å
19F32.8Very low35.1Very low188 Ų188137.2 Ų137.283%0.82582%0.815SS**  trans-136.398.3162.3-84-74.9000111
20N30.4Very low34.9Very low167 Ų167137.8 Ų137.889%0.89381%0.813SS**  trans-71.8124.2153.9-87.8-15.4000107.9
21N31.4Very low34.7Very low162 Ų162143.6 Ų143.687%0.86682%0.816SS**  trans-151.9122.3139.1-141.6-2.5000112.5
22S31.7Very low34.7Very low100 Ų100142.6 Ų142.670%0.69982%0.815SS**  trans-91.7128.517648.70000110.8
23S37Very low34.7Very low119 Ų119149.1 Ų149.183%0.83282%0.819SS**  trans-167.8150.6145.2-86.20000111.7
24P36.6Very low34.5Very low122 Ų122150.3 Ų150.379%0.79282%0.815SS**  trans-93.2160.5-165.836.8-36.2000114.3
25L31.6Very low33.8Very low169 Ų169149.6 Ų149.689%0.88582%0.819SS**  trans-115.7158.6168.9-77.8175.5000111.2
26P38.6Very low33.3Very low121 Ų121148 Ų14879%0.78682%0.816SS**PPolyproline II helixtrans-94.6161.3-133.934.3-38.2000116.7
27V35.2Very low33.1Very low145 Ų145151.1 Ų151.188%0.87982%0.819SS**PPolyproline II helixtrans-68.4125.9174.2178.80000111.2
28A36.4Very low32.8Very low83 Ų83152 Ų15269%0.68682%0.82SS**PPolyproline II helixtrans-80.5145.8169.600000111.6
29P35.3Very low32.9Very low128 Ų128159.1 Ų159.183%0.83183%0.83SS**PPolyproline II helixtrans-79.4147-166.930.7-36.2000114.8
30S31.2Very low32.8Very low115 Ų115161 Ų16180%0.80483%0.832SS**  trans-86.9114.9-179.256.20000114.2
31R32.2Very low32.9Very low245 Ų245157.8 Ų157.893%0.92583%0.828SS**  trans-178.6132153.8-100.4163.3-177.3-169.71105.2
32V32.8Very low33.1Very low140 Ų140157.7 Ų157.785%0.84883%0.826SS**  cis-136.5159.839.9172.90000112
33R33.2Very low33.2Very low205 Ų205158.7 Ų158.777%0.77483%0.831SS**  trans-82.5151.7-176-75.8174.3168.4170.7-4.5113.9
34R29.6Very low33.3Very low206 Ų206161.5 Ų161.578%0.77783%0.831SS**  trans49.9109.6140.7-65.5173.5-178.8178.7-2.8117.9
35F28.6Very low33Very low223 Ų223161.6 Ų161.698%0.97883%0.831SS**  -123.9118123.7-91.8-83.1000108.8
36A31.1Very low33.2Very low81 Ų81165 Ų16567%0.66983%0.833SS**  trans-102.4139170.900000108.5
37Q34.1Very low32.9Very low188 Ų188165.5 Ų165.588%0.87983%0.833SS**  trans60.885.5138.9-165.1171.66.300117.7
38E29.1Very low32.6Very low180 Ų180166.4 Ų166.484%0.84183%0.829SS**  trans-143.186.4146.7-128.4178.2175.200110.8R40E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.21Å
39R33Very low32.5Very low255 Ų255167.4 Ų167.496%0.96283%0.827SS**  trans-74.486.9167.9-79.4-171175.9-167.3-1.1108.6A41R39-A41 PolarHBondContact O-N 3.49Å
40R30.3Very low32.2Very low228 Ų228166.8 Ų166.886%0.8682%0.821SS**  trans-71.1112167.2-119.3177.5-178.1176.41.2108.7E38 L42E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.21Å; R40-L42 PolarHBondContact O-N 2.75Å
41A32.8Very low32.3Very low98 Ų98169.9 Ų169.981%0.8182%0.82SS**PPolyproline II helixtrans-64.2123.5174.300000109.9R39R39-A41 PolarHBondContact O-N 3.49Å
42L35.3Very low32.2Very low160 Ų160163.8 Ų163.884%0.83881%0.814SS**PPolyproline II helixtrans-73.7132.2167.2-73.9162.8000108.4R40 Q44R40-L42 PolarHBondContact O-N 2.75Å; L42-Q44 PolarHBondContact O-N 2.71Å
43P34.2Very low32Very low122 Ų122161.8 Ų161.879%0.79281%0.813SS**PPolyproline II helixtrans-69.8127.1177.328.3-32.8000110.1
44Q37.2Very low32Very low178 Ų178156.4 Ų156.483%0.83281%0.812SS**PPolyproline II helixtrans-65.8143.8173.9-70.2-179.6-13.500110.9L42 R46L42-Q44 PolarHBondContact O-N 2.71Å; Q44-R46 PolarHBondContact O-N 3.08Å
45P30.6Very low32Very low123 Ų123154.3 Ų154.380%0.79982%0.816SS**PPolyproline II helixtrans-68.3123.417827.9-33.6000110.9V47P45-V47 PolarHBondContact O-N 3.2Å
46R35.9Very low32.1Very low242 Ų242152.9 Ų152.991%0.91381%0.813SS**  trans-74.6115.1171.4-73.8-179.9167.8-176.4-4.8109.7Q44 M48Q44-R46 PolarHBondContact O-N 3.08Å; R46-M48 PolarHBondContact O-N 3.25Å
47V33.3Very low32.3Very low131 Ų131156.7 Ų156.779%0.79482%0.82SS**  trans-70.1111.8168.7-1800000108.7P45P45-V47 PolarHBondContact O-N 3.2Å
48M29Very low32.1Very low163 Ų163155.2 Ų155.280%0.80382%0.819SS**  trans-79.6119.5166-74.8-166.7-57.700109.4R46 V50R46-M48 PolarHBondContact O-N 3.25Å; M48-V50 PolarHBondContact O-N 2.8Å
49V32.7Very low32.4Very low105 Ų105156 Ų15664%0.63682%0.819SS**  trans-86.8105.4163.7-177.40000107.4F51V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.22Å; V49-F51 HydrophobicContact CG1-CE1 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.71Å; V49-F51 HydrophobicContact CG1-CZ 3.83Å
50V30.5Very low32.7Very low115 Ų115150 Ų15070%0.69781%0.813SS**  trans-84.9114.2174.4178.90000108.4M48M48-V50 PolarHBondContact O-N 2.8Å
51F32.8Very low32.9Very low180 Ų180142.7 Ų142.779%0.78981%0.809SS**  trans-86.2112168.5-70-83.1000109.3V49 A53V49-F51 HydrophobicContact CB-CE2 4.36Å; V49-F51 HydrophobicContact CG1-CD2 4.22Å; V49-F51 HydrophobicContact CG1-CE1 4.43Å; V49-F51 HydrophobicContact CG1-CE2 3.71Å; V49-F51 HydrophobicContact CG1-CZ 3.83Å; F51-A53 PolarHBondContact O-N 2.82Å
52S30.1Very low32.9Very low116 Ų116145.7 Ų145.781%0.81181%0.811SS**  trans-70.4110.9168.3-61.50000109.3A54S52-A54 PolarHBondContact O-N 3.12Å
53A29.5Very low32.8Very low98 Ų98142.2 Ų142.281%0.8181%0.806SS**PPolyproline II helixtrans-67.1127.4169.300000109.5F51F51-A53 PolarHBondContact O-N 2.82Å
54A32.7Very low32.9Very low93 Ų93145 Ų14577%0.76981%0.81SS**PPolyproline II helixtrans-77.5132.1171.500000109.6S52 E56S52-A54 PolarHBondContact O-N 3.12Å; A54-E56 PolarHBondContact O-N 2.97Å
55N29.4Very low32.6Very low161 Ų161141.1 Ų141.186%0.86180%0.803SS**PPolyproline II helixtrans-66.2123.3166.3-80-11.7000109.1
56E31.5Very low32.7Very low194 Ų194139.8 Ų139.891%0.90780%0.796SS**PPolyproline II helixtrans-90.4152.1157-71.7-160.5142.200110.5A54A54-E56 PolarHBondContact O-N 2.97Å
57I33.8Very low32.5Very low161 Ų161133.9 Ų133.983%0.82679%0.792SS**PPolyproline II helixtrans-101.3123.9-164.1-68.9166.3000109.7
58D31.2Very low32.4Very low157 Ų157134.8 Ų134.884%0.8479%0.793SS**PPolyproline II helixtrans-59.9143.4174-81.1-45.9000112.9
59K35.6Very low32.6Very low195 Ų195132 Ų13285%0.84879%0.79SS**  trans-113133.7159-82.3-176.9175.7176.40109.1
60P39.2Very low32.6Very low130 Ų130131.3 Ų131.384%0.84480%0.795SS**  trans-79.5149.3179.133.1-34.5000111.8
61G33.1Very low32.9Very low74 Ų74134.9 Ų134.976%0.76380%0.804SS**  trans-145.1132.2168.100000109.1
62D33.8Very low32.8Very low161 Ų161133 Ų13386%0.86180%0.802SS**  trans-81.4163.8-161.8-61.6-76.6000116.2
63A32.1Very low32.9Very low88 Ų88133.3 Ų133.373%0.72779%0.794SS**  trans85.111113800000121.8
64M36.2Very low33Very low179 Ų179136.5 Ų136.588%0.88279%0.79SS**  88.8110.8120.2-69.9-63.6-161.500122.5
65S32.3Very low33Very low98 Ų98143.1 Ų143.169%0.68580%0.795SS**  100.8135.3115.6-166.50000120.9
66S31.9Very low33.2Very low94 Ų94145 Ų14566%0.65780%0.796SS**  trans59.8113.5153.244.90000118.2
67S32.7Very low33.7Very low119 Ų119141.7 Ų141.783%0.83279%0.791SS**  88.4119.759.6-67.90000113.7
68D29.8Very low33.5Very low150 Ų150138.3 Ų138.380%0.80279%0.788SS**  trans101.8132.9134.9-136.550.3000122.3
69S32.8Very low33.5Very low105 Ų105137.3 Ų137.373%0.73479%0.787SS**  trans67139.4146.5-70.50000123.9
70A34Very low33.8Very low90 Ų90133.8 Ų133.874%0.74478%0.784SS**  trans-90.3-162.9-172.200000113.9
71E36.1Very low33.4Very low190 Ų190131.8 Ų131.889%0.88878%0.779SS**  trans75.8145.8168.1-62.2-173.3172.600115.5
72D31.2Very low34Very low141 Ų141133.4 Ų133.475%0.75478%0.776SS**  cis-163170.3-18.8-171.821000109.2
73D32.5Very low34.1Very low121 Ų121133.6 Ų133.665%0.64778%0.777SS**  trans85.2132139.7-132.217.9000125.5
74F31.3Very low34.4Very low166 Ų166136.6 Ų136.673%0.72878%0.78SS**  trans56.1112.8142.9-108-126.7000124.3
75R33Very low34.4Very low232 Ų232135.2 Ų135.288%0.87578%0.776SS**  -178133.893.8-96.6169.1-1751753.2115.8
76K33Very low34.5Very low199 Ų199138.3 Ų138.387%0.86578%0.784SS**  trans-86.7175.6158.6-84.1176.3-178171.20109.7
77P41.7Very low34.8Very low125 Ų125136.9 Ų136.981%0.81278%0.784SS**  cis-125.9-161.618.240.5-19.5000112.9
78A29.1Very low35.1Very low91 Ų91141.2 Ų141.275%0.75279%0.788SS**  cis-154-177.514.100000114.9
79T32.9Very low35.4Very low135 Ų135139.1 Ų139.183%0.82879%0.785SS**  trans-115.5174.6172.619.10000109.9
80P41.4Very low35.6Very low122 Ų122142 Ų14279%0.79279%0.792SS**  cis-138174.723.641-21.1000118.3
81A31.5Very low36Very low88 Ų88148.6 Ų148.673%0.72780%0.797SS**  trans-85.9-169.7167.500000110.5
82P44.4Very low35.8Very low107 Ų107144.7 Ų144.770%0.69579%0.787SS**  cis-135.6176.8-3.641.7-25.2000115.1
83N35.1Very low36.1Very low166 Ų166144.3 Ų144.389%0.88879%0.789SS**  trans-157.7142.1135.4-107.6-44.8000111.9
84L38.6Very low36.5Very low150 Ų150147.4 Ų147.479%0.78580%0.797SS**  trans-88.7143.9-176.6-73.1129.5000111.7
85N36.2Very low36.7Very low150 Ų150147.3 Ų147.380%0.80280%0.804SS**  164.3107.3129.4-82.5-30.7000108.9
86L35Very low37Very low164 Ų164145 Ų14586%0.85980%0.804SS**  88.1101.876.7-177.265.2000112.5
87G38.5Very low37.4Very low64 Ų64140.3 Ų140.366%0.6680%0.796SS**  trans81.991.814600000118.4
88K38Very low37.7Very low209 Ų209140.5 Ų140.591%0.90980%0.797SS**  trans-154.7127.7132-107.7149-170.4175.30111L90K88-L90 PolarHBondContact O-N 3.43Å
89S36.8Very low38.7Very low106 Ų106140.4 Ų140.474%0.74179%0.791SS**  trans-69.9110.1-178.9178.80000110R91S89-R91 PolarHBondContact O-N 3.42Å
90L38.3Very low40Very low167 Ų167137.8 Ų137.887%0.87478%0.776SS**  trans-78.5102.7156.5-73.5172.2000106.9K88 T92K88-L90 PolarHBondContact O-N 3.43Å; L90-T92 PolarHBondContact O-N 2.81Å; L90-T92 VanDerWaalsContact O-N 3.09Å
91R40.9Very low41.4Very low227 Ų227140.9 Ų140.986%0.85778%0.78SS**  trans-63.6109.1162.7-75.4-178.5172.2176.6-3.5106.9S89 T93S89-R91 PolarHBondContact O-N 3.42Å; R91-T93 PolarHBondContact O-N 2.99Å
92T32.2Very low44Very low109 Ų109138.1 Ų138.167%0.66975%0.752SS**  trans-54.2112.3163.236.90000107.9L90 F94L90-T92 PolarHBondContact O-N 2.81Å; L90-T92 VanDerWaalsContact O-N 3.09Å; T92-F94 PolarHBondContact O-N 2.85Å
93T37Very low46.1Very low132 Ų132136.4 Ų136.481%0.8174%0.741SS**  trans-59.6103.5163.244.60000106.6R91 N95R91-T93 PolarHBondContact O-N 2.99Å; T93-N95 PolarHBondContact O-N 3.27Å; T93-N95 VanDerWaalsContact O-N 3.14Å
94F40.7Very low48.8Very low186 Ų186134.9 Ų134.982%0.81673%0.728SS**  trans-58.2120.6167.1-78.2-89.2000106.7T92 E96T92-F94 PolarHBondContact O-N 2.85Å; F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.33Å
95N36.4Very low51.5Low164 Ų164131.5 Ų131.588%0.87771%0.714SS**  trans-72.393.4179.8-148.434.4000106.3T93 S97T93-N95 PolarHBondContact O-N 3.27Å; T93-N95 VanDerWaalsContact O-N 3.14Å; N95-S97 PolarHBondContact O-N 2.79Å
96E39.5Very low54.3Low185 Ų185124.4 Ų124.486%0.86468%0.676SS**  trans-59.6109.2171.2-111.6175.5134.100107.4F94F94-E96 VanDerWaalsContact C-N 3.31Å; F94-E96 PolarHBondContact O-N 3.33Å
97S41.6Very low57.2Low100 Ų100119 Ų11970%0.69965%0.652SS**  trans-53.9129.1166.750.60000107.4N95 S99N95-S97 PolarHBondContact O-N 2.79Å; S97-S99 PolarHBondContact O-N 2.95Å
98P47.3Very low60Low128 Ų128116 Ų11683%0.83162%0.62SS**  trans-60.4106.7-179.524.9-33.2000108.3
99S51.1Low62.8Low90 Ų90106.6 Ų106.663%0.62958%0.58SS**  trans-53.5135.9164.456.40000107S97 E101S97-S99 PolarHBondContact O-N 2.95Å; S99-E101 PolarHBondContact O-N 3.07Å
100P58.5Low65.6Low80 Ų80101.6 Ų101.652%0.51955%0.545SS..  trans-60.7101.6-177.224.4-33.3000109.1F102 G136P100-F102 WeakPolarHBondContact O-CD2 3.45Å; P100-F102 PolarHBondContact O-N 2.84Å; P100-F102 VanDerWaalsContact O-N 3.07Å; P100-G136 WeakPolarHBondContact CG-O 3.38Å
101E72.1Confident68.3Low187 Ų18795.9 Ų95.987%0.87453%0.526SS*.  trans-74.3104.4-173.3-165.4169.3-147.900108S99S99-E101 PolarHBondContact O-N 3.07Å
102F85.3Confident70.8Confident30 Ų3087.1 Ų87.113%0.13251%0.507CS..  trans-68.6135.8179-71.3-84.8000109.7P100 I106 L119 F134 I140 F148P100-F102 WeakPolarHBondContact O-CD2 3.45Å; P100-F102 PolarHBondContact O-N 2.84Å; P100-F102 VanDerWaalsContact O-N 3.07Å; F102-I106 HydrophobicContact CB-CD1 4.05Å; F102-I106 HydrophobicContact CD1-CD1 4.17Å; F102-L119 HydrophobicContact CB-CD1 3.81Å; F102-L119 HydrophobicContact CB-CD2 3.72Å; F102-L119 HydrophobicContact CB-CG 4.37Å; F102-L119 HydrophobicContact CG-CD1 4.18Å; F102-F134 AromaticContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CE1 4.28Å; F102-F134 AromaticContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CE1 4.07Å; F102-F134 WeakPolarHBondContact CE2-O 3.43Å; F102-F134 HydrophobicContact CG-CD1 4.44Å; F102-F134 HydrophobicContact CZ-CD1 4.18Å; F102-I140 HydrophobicContact CE1-CD1 4.29Å; F102-I140 HydrophobicContact CZ-CD1 4.48Å; F102-F148 HydrophobicContact CD1-CE1 4.3Å; F102-F148 HydrophobicContact CD1-CE2 4.26Å; F102-F148 AromaticContact CD1-CZ 3.64Å; F102-F148 HydrophobicContact CD1-CZ 3.64Å; F102-F148 AromaticContact CE1-CE1 3.82Å; F102-F148 HydrophobicContact CE1-CE1 3.82Å; F102-F148 AromaticContact CE1-CZ 3.64Å; F102-F148 HydrophobicContact CE1-CZ 3.64Å
103P88.9Confident73.8Confident71 Ų7184.7 Ų84.746%0.46149%0.492SS..  trans-62.4151.6174.227-33.3000110.7V105 I106P103-V105 WeakPolarHBondContact CG-O 3.43Å; P103-V105 PolarHBondContact O-N 2.9Å; P103-I106 HydrophobicContact CG-CD1 4.04Å; P103-I106 VanDerWaalsContact O-CD1 3.31Å; P103-I106 WeakPolarHBondContact O-CD1 3.36Å
104E91.9Very high76.6Confident134 Ų13484.7 Ų84.763%0.62648%0.478SS*.SBendtrans-56.5-37.7179.1-171.1-169.5164.700111.8R118 L119E104-R118 CarbonylContact O-C 3.55Å; E104-R118 VanDerWaalsContact O-CA 3.28Å; E104-R118 WeakPolarHBondContact O-CA 3.38Å; E104-L119 PolarHBondContact O-N 2.86Å
105V94.9Very high79.3Confident79 Ų7977.6 Ų77.648%0.47945%0.447SS..EExtended strand (participates in β ladder)trans-102.2123.9175.8-178.50000109.6P103 T116P103-V105 WeakPolarHBondContact CG-O 3.43Å; P103-V105 PolarHBondContact O-N 2.9Å; V105-T116 HydrophobicContact CG1-CG2 3.43Å; V105-T116 VanDerWaalsContact CG1-CG2 3.43Å
106I95.3Very high82.2Confident0 Ų074 Ų740%043%0.431CS..EExtended strand (participates in β ladder)trans-110.5124.8-176.9-58.7-67.7000109.2F102 P103 L108 T116 T117 L119 L122 F134 F148F102-I106 HydrophobicContact CB-CD1 4.05Å; F102-I106 HydrophobicContact CD1-CD1 4.17Å; P103-I106 HydrophobicContact CG-CD1 4.04Å; P103-I106 VanDerWaalsContact O-CD1 3.31Å; P103-I106 WeakPolarHBondContact O-CD1 3.36Å; I106-L108 HydrophobicContact CG2-CD2 3.52Å; I106-L108 HydrophobicContact CG2-CG 4.03Å; I106-T116 WeakPolarHBondContact O-CA 3.4Å; I106-T117 PolarHBondContact N-O 2.88Å; I106-T117 PolarHBondContact O-N 3.47Å; I106-L119 HydrophobicContact CD1-CD1 4.35Å; I106-L119 HydrophobicContact CG1-CB 4.13Å; I106-L119 HydrophobicContact CG1-CD1 4.35Å; I106-L122 HydrophobicContact CB-CD1 4.1Å; I106-L122 HydrophobicContact CG1-CD1 4.24Å; I106-L122 HydrophobicContact CG2-CD1 3.88Å; I106-F134 HydrophobicContact CD1-CD1 4.4Å; I106-F134 HydrophobicContact CD1-CE1 4.41Å; I106-F134 HydrophobicContact CG2-CD1 4.47Å; I106-F134 HydrophobicContact CG2-CE1 3.72Å; I106-F134 HydrophobicContact CG2-CZ 4.07Å; I106-F148 HydrophobicContact CD1-CE2 4.03Å; I106-F148 HydrophobicContact CG2-CD2 3.78Å; I106-F148 HydrophobicContact CG2-CE2 4.14Å
107S96.2Very high84.9Confident51 Ų5165.6 Ų65.636%0.35739%0.392SS..EExtended strand (participates in β ladder)trans-96.1126.5169.5-57.80000109.9F148S107-F148 PolarHBondContact O-N 3.17Å
108L96.6Very high87.4Confident0 Ų067.7 Ų67.70%039%0.385CS..EExtended strand (participates in β ladder)trans-117147.4-176.7-55.5173.2000110.2I106 V110 Y114 F115 T117 L122 F134 F148 F157I106-L108 HydrophobicContact CG2-CD2 3.52Å; I106-L108 HydrophobicContact CG2-CG 4.03Å; L108-V110 HydrophobicContact CB-CG2 4.28Å; L108-Y114 WeakPolarHBondContact O-CA 3.31Å; L108-F115 HydrophobicContact CB-CB 4.26Å; L108-F115 PolarHBondContact N-O 2.94Å; L108-F115 PolarHBondContact O-N 2.87Å; L108-T117 HydrophobicContact CD1-CG2 4.09Å; L108-L122 HydrophobicContact CD1-CD1 4.35Å; L108-L122 HydrophobicContact CD1-CD2 4.23Å; L108-L122 HydrophobicContact CD2-CD1 4.41Å; L108-F134 HydrophobicContact CD2-CE1 4.38Å; L108-F134 HydrophobicContact CD2-CE2 4.17Å; L108-F134 HydrophobicContact CD2-CZ 3.54Å; L108-F148 CarbonylContact C-O 3.58Å; L108-F148 WeakPolarHBondContact CA-O 3.41Å; L108-F148 HydrophobicContact CD2-CB 4.05Å; L108-F157 HydrophobicContact CD1-CE1 3.62Å; L108-F157 HydrophobicContact CD1-CZ 3.86Å
109N96.9Very high89.7Confident13 Ų1363 Ų637%0.0735%0.352CS..EExtended strand (participates in β ladder)trans-123.2107.4167.6176.5-8.4000107.5G112 Y114 D143 R147 F148 F149 I150N109-G112 WeakPolarHBondContact OD1-CA 3.29Å; N109-G112 PolarHBondContact OD1-N 2.83Å; N109-Y114 HydrophobicContact CB-CD1 4.03Å; N109-Y114 HydrophobicContact CB-CE1 4.14Å; N109-D143 WeakPolarHBondContact CB-OD2 3.41Å; N109-D143 PolarHBondContact ND2-OD2 2.83Å; N109-R147 HydrophobicContact CB-CB 4.35Å; N109-F148 PolarHBondContact N-O 2.92Å; N109-F149 HydrophobicContact CB-CD2 4.19Å; N109-F149 CarbonylContact O-C 3.58Å; N109-F149 WeakPolarHBondContact O-CA 3.19Å; N109-F149 WeakPolarHBondContact O-CD2 3.45Å; N109-I150 PolarHBondContact O-N 3.35Å
110V96.6Very high91.7Very high0 Ų062.4 Ų62.40%035%0.349CS..EExtended strand (participates in β ladder)trans-109.999.2-176.7-171.20000108.1L108 G112 T113 F115 I150 R152 G154 F157L108-V110 HydrophobicContact CB-CG2 4.28Å; V110-G112 PolarHBondContact O-N 2.96Å; V110-T113 PolarHBondContact N-O 3.36Å; V110-T113 WeakPolarHBondContact O-CB 3.41Å; V110-T113 PolarHBondContact O-N 2.77Å; V110-F115 HydrophobicContact CB-CD2 4.3Å; V110-F115 HydrophobicContact CB-CE2 4.23Å; V110-F115 HydrophobicContact CG2-CD2 3.98Å; V110-F115 HydrophobicContact CG2-CE2 4.35Å; V110-I150 WeakPolarHBondContact CA-O 3.28Å; V110-I150 HydrophobicContact CG1-CB 4.4Å; V110-I150 HydrophobicContact CG2-CB 4.28Å; V110-I150 HydrophobicContact CG2-CD1 4.34Å; V110-R152 CarbonylContact C-O 3.59Å; V110-R152 HydrophobicContact CG1-CB 3.99Å; V110-G154 WeakPolarHBondContact O-CA 3.42Å; V110-F157 HydrophobicContact CB-CG 4.4Å; V110-F157 HydrophobicContact CG1-CB 4.12Å; V110-F157 HydrophobicContact CG1-CD2 4.27Å; V110-F157 HydrophobicContact CG1-CG 4.12Å; V110-F157 HydrophobicContact CG2-CD1 3.78Å; V110-F157 HydrophobicContact CG2-CD2 4.36Å; V110-F157 HydrophobicContact CG2-CE1 3.93Å; V110-F157 HydrophobicContact CG2-CG 3.99Å; V110-F157 HydrophobicContact CG2-CZ 4.31Å
111G93.6Very high93.5Very high47 Ų4759.6 Ų59.649%0.48533%0.33SS..THydrogen-bonded Turntrans5729.7-177.800000114.7I150 R152G111-I150 PolarHBondContact N-O 3.17Å; G111-R152 WeakPolarHBondContact CA-O 3.38Å; G111-R152 PolarHBondContact N-O 2.9Å; G111-R152 VanDerWaalsContact N-O 3.13Å
112G93.3Very high94.6Very high43 Ų4350.7 Ų50.744%0.44329%0.288SS..THydrogen-bonded Turntrans94.1-7-174.100000115N109 V110N109-G112 WeakPolarHBondContact OD1-CA 3.29Å; N109-G112 PolarHBondContact OD1-N 2.83Å; V110-G112 PolarHBondContact O-N 2.96Å
113T96.3Very high95Very high59 Ų5955 Ų5536%0.36230%0.304SS..EExtended strand (participates in β ladder)trans-92.9125.9174.6-50.50000110.5V110 F115V110-T113 PolarHBondContact N-O 3.36Å; V110-T113 WeakPolarHBondContact O-CB 3.41Å; V110-T113 PolarHBondContact O-N 2.77Å; T113-F115 HydrophobicContact CG2-CD2 4.27Å; T113-F115 HydrophobicContact CG2-CE2 3.44Å; T113-F115 VanDerWaalsContact CG2-CE2 3.44Å; T113-F115 HydrophobicContact CG2-CZ 3.61Å
114Y96.6Very high95.2Very high132 Ų13257 Ų5752%0.51830%0.302SS..EExtended strand (participates in β ladder)trans-91131.7-176.2-50.8-59000112.3L108 N109 R147L108-Y114 WeakPolarHBondContact O-CA 3.31Å; N109-Y114 HydrophobicContact CB-CD1 4.03Å; N109-Y114 HydrophobicContact CB-CE1 4.14Å; Y114-R147 VanDerWaalsContact CD1-CZ 3.48Å; Y114-R147 VanDerWaalsContact CE1-NH1 3.33Å
115F96.9Very high95.2Very high37 Ų3753.1 Ų53.116%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-129.2147.5175.2-64.2-87.1000111.1L108 V110 T113 G154 F157 L161L108-F115 HydrophobicContact CB-CB 4.26Å; L108-F115 PolarHBondContact N-O 2.94Å; L108-F115 PolarHBondContact O-N 2.87Å; V110-F115 HydrophobicContact CB-CD2 4.3Å; V110-F115 HydrophobicContact CB-CE2 4.23Å; V110-F115 HydrophobicContact CG2-CD2 3.98Å; V110-F115 HydrophobicContact CG2-CE2 4.35Å; T113-F115 HydrophobicContact CG2-CD2 4.27Å; T113-F115 HydrophobicContact CG2-CE2 3.44Å; T113-F115 VanDerWaalsContact CG2-CE2 3.44Å; T113-F115 HydrophobicContact CG2-CZ 3.61Å; F115-G154 VanDerWaalsContact CZ-O 3.29Å; F115-G154 WeakPolarHBondContact CZ-O 3.16Å; F115-F157 HydrophobicContact CD1-CD1 4.32Å; F115-F157 AromaticContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CE1 4.26Å; F115-F157 HydrophobicContact CD2-CG 4.49Å; F115-F157 HydrophobicContact CE1-CD1 4.43Å; F115-F157 HydrophobicContact CE2-CB 3.89Å; F115-F157 AromaticContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CG 4.23Å; F115-F157 AromaticContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CE1 4.35Å; F115-F157 HydrophobicContact CZ-CB 4.03Å; F115-F157 HydrophobicContact CZ-CD1 4.14Å; F115-L161 HydrophobicContact CB-CD1 3.92Å; F115-L161 HydrophobicContact CD1-CD1 3.64Å; F115-L161 HydrophobicContact CE1-CD1 4.4Å; F115-L161 HydrophobicContact CG-CD1 3.94Å
116T96.3Very high94.9Very high87 Ų8757.8 Ų57.853%0.53430%0.299SS..EExtended strand (participates in β ladder)trans-122.9130.6170.4-52.90000108.5V105 I106 R165V105-T116 HydrophobicContact CG1-CG2 3.43Å; V105-T116 VanDerWaalsContact CG1-CG2 3.43Å; I106-T116 WeakPolarHBondContact O-CA 3.4Å; T116-R165 PolarHBondContact O-NH2 2.9Å
117T96.4Very high94.7Very high9 Ų963.2 Ų63.26%0.05533%0.328CS..EExtended strand (participates in β ladder)trans-151172.5-177.4-1620000111.2I106 L108 L122 L161I106-T117 PolarHBondContact N-O 2.88Å; I106-T117 PolarHBondContact O-N 3.47Å; L108-T117 HydrophobicContact CD1-CG2 4.09Å; T117-L122 HydrophobicContact CG2-CD1 3.7Å; T117-L122 HydrophobicContact CG2-CD2 3.93Å; T117-L122 HydrophobicContact CG2-CG 3.66Å; T117-L161 HydrophobicContact CG2-CD2 4.15Å
118R95.3Very high94.6Very high144 Ų14460.9 Ų60.954%0.54331%0.311SS..EExtended strand (participates in β ladder)trans-89.1148.2175.2-63.8-173.7-175178.61.1111E104 S120 T121 L122E104-R118 CarbonylContact O-C 3.55Å; E104-R118 VanDerWaalsContact O-CA 3.28Å; E104-R118 WeakPolarHBondContact O-CA 3.38Å; R118-S120 PolarHBondContact O-N 3.49Å; R118-T121 WeakPolarHBondContact O-CB 3.47Å; R118-T121 PolarHBondContact O-N 3.32Å; R118-L122 PolarHBondContact O-N 2.76Å
119L94.2Very high94.5Very high29 Ų2964.1 Ų64.115%0.15233%0.327CS..Hα-helixtrans-55.4-37.7171.9-17964.1000111.7F102 E104 I106 T121 L122 R123 F134F102-L119 HydrophobicContact CB-CD1 3.81Å; F102-L119 HydrophobicContact CB-CD2 3.72Å; F102-L119 HydrophobicContact CB-CG 4.37Å; F102-L119 HydrophobicContact CG-CD1 4.18Å; E104-L119 PolarHBondContact O-N 2.86Å; I106-L119 HydrophobicContact CD1-CD1 4.35Å; I106-L119 HydrophobicContact CG1-CB 4.13Å; I106-L119 HydrophobicContact CG1-CD1 4.35Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.47Å; L119-L122 PolarHBondContact O-N 3.05Å; L119-R123 HydrophobicContact CD1-CG 4.36Å; L119-R123 WeakPolarHBondContact O-CB 3.14Å; L119-R123 PolarHBondContact O-N 3.46Å; L119-F134 HydrophobicContact CD1-CB 3.89Å; L119-F134 HydrophobicContact CD1-CD1 4.43Å; L119-F134 HydrophobicContact CD1-CG 4.49Å
120S94.5Very high94.4Very high79 Ų7963.5 Ų63.555%0.55232%0.324SS*.Hα-helixtrans-63.9-31175.953.40000113.7R118 R123 R124R118-S120 PolarHBondContact O-N 3.49Å; S120-R123 CarbonylContact O-C 3.53Å; S120-R124 PolarHBondContact O-N 3.07Å; S120-R124 VanDerWaalsContact O-N 3.08Å
121T95.4Very high94.2Very high20 Ų2063.8 Ų63.812%0.12333%0.327CS..Hα-helixtrans-68.9-45.9174.4-55.30000111R118 L119 R123 R124 L164 R165R118-T121 WeakPolarHBondContact O-CB 3.47Å; R118-T121 PolarHBondContact O-N 3.32Å; L119-T121 VanDerWaalsContact C-N 3.31Å; L119-T121 PolarHBondContact O-N 3.47Å; T121-R123 PolarHBondContact O-N 3.25Å; T121-R124 WeakPolarHBondContact O-CB 3.1Å; T121-R124 PolarHBondContact O-N 3.18Å; T121-L164 HydrophobicContact CG2-CB 3.7Å; T121-R165 HydrophobicContact CG2-CG 3.77Å
122L94.4Very high94.2Very high0 Ų063 Ų630%032%0.315CS..Hα-helixtrans-68.3-24.6179.1-64.2172000112.9I106 L108 T117 R118 L119 L130 A131 F134 L161I106-L122 HydrophobicContact CB-CD1 4.1Å; I106-L122 HydrophobicContact CG1-CD1 4.24Å; I106-L122 HydrophobicContact CG2-CD1 3.88Å; L108-L122 HydrophobicContact CD1-CD1 4.35Å; L108-L122 HydrophobicContact CD1-CD2 4.23Å; L108-L122 HydrophobicContact CD2-CD1 4.41Å; T117-L122 HydrophobicContact CG2-CD1 3.7Å; T117-L122 HydrophobicContact CG2-CD2 3.93Å; T117-L122 HydrophobicContact CG2-CG 3.66Å; R118-L122 PolarHBondContact O-N 2.76Å; L119-L122 PolarHBondContact O-N 3.05Å; L122-L130 HydrophobicContact CD2-CD1 4.3Å; L122-L130 HydrophobicContact CD2-CD2 4.44Å; L122-A131 PolarHBondContact O-N 3.27Å; L122-F134 HydrophobicContact CB-CD2 4.28Å; L122-F134 HydrophobicContact CD1-CD1 4.37Å; L122-F134 HydrophobicContact CD1-CD2 3.83Å; L122-F134 HydrophobicContact CD1-CE1 4.34Å; L122-F134 HydrophobicContact CD1-CE2 3.81Å; L122-F134 HydrophobicContact CD1-CG 4.15Å; L122-F134 HydrophobicContact CD1-CZ 4.08Å; L122-L161 HydrophobicContact CD2-CD2 4.19Å
123R93.6Very high94.1Very high121 Ų12162.5 Ų62.546%0.45730%0.302SS..THydrogen-bonded Turntrans-103.812.5178.6-67179.360.3175.9-5.7114.1L119 S120 T121 Y125 F134L119-R123 HydrophobicContact CD1-CG 4.36Å; L119-R123 WeakPolarHBondContact O-CB 3.14Å; L119-R123 PolarHBondContact O-N 3.46Å; S120-R123 CarbonylContact O-C 3.53Å; T121-R123 PolarHBondContact O-N 3.25Å; R123-Y125 PolarHBondContact O-N 2.9Å; R123-F134 HydrophobicContact CG-CB 4.44Å
124R93.3Very high93.9Very high112 Ų11259.7 Ų59.742%0.42329%0.285SS..SBendtrans-58.7-34.4-178.5177.9175.6177158.10.8113.3S120 T121 L164 R165S120-R124 PolarHBondContact O-N 3.07Å; S120-R124 VanDerWaalsContact O-N 3.08Å; T121-R124 WeakPolarHBondContact O-CB 3.1Å; T121-R124 PolarHBondContact O-N 3.18Å; R124-L164 WeakPolarHBondContact CD-O 3.46Å; R124-L164 PolarHBondContact NH1-O 2.97Å; R124-R165 PolarHBondContact NH1-O 3.03Å
125Y92.6Very high93.5Very high54 Ų5455.1 Ų55.121%0.21227%0.272CS..SBendtrans-122.1109.3179.2-63.1-77.1000108.3R123 D127 T128 A131 F163 L164 P189R123-Y125 PolarHBondContact O-N 2.9Å; Y125-D127 PolarHBondContact O-N 3.42Å; Y125-T128 WeakPolarHBondContact O-CG2 3.38Å; Y125-T128 PolarHBondContact O-N 3.01Å; Y125-T128 PolarHBondContact O-OG1 3.08Å; Y125-A131 WeakPolarHBondContact O-CB 3.49Å; Y125-F163 AromaticContact CE2-CE1 3.95Å; Y125-F163 HydrophobicContact CE2-CE1 3.95Å; Y125-L164 HydrophobicContact CD2-CD2 3.62Å; Y125-L164 HydrophobicContact CE2-CD2 4Å; Y125-P189 HydrophobicContact CD1-CG 3.96Å; Y125-P189 HydrophobicContact CE1-CB 4.27Å; Y125-P189 HydrophobicContact CE1-CG 3.82Å
126E88.9Confident92.9Very high176 Ų17654.3 Ų54.382%0.82227%0.274SS*.THydrogen-bonded Turntrans-68.2-19.8-169.2-58.8-170.2158.200114T128E126-T128 VanDerWaalsContact C-N 3.35Å
127D90.9Very high92.4Very high114 Ų11459.4 Ų59.461%0.6128%0.283SS*.THydrogen-bonded Turntrans-86.51-179.658.9-30.1000114Y125Y125-D127 PolarHBondContact O-N 3.42Å
128T94.7Very high91.9Very high3 Ų363.8 Ų63.82%0.01830%0.303CS..SBendtrans-88.9155.3-178.764.60000113.6Y125 E126 L130 A131 A132 I187Y125-T128 WeakPolarHBondContact O-CG2 3.38Å; Y125-T128 PolarHBondContact O-N 3.01Å; Y125-T128 PolarHBondContact O-OG1 3.08Å; E126-T128 VanDerWaalsContact C-N 3.35Å; T128-L130 PolarHBondContact O-N 3.15Å; T128-A131 PolarHBondContact O-N 3.24Å; T128-A131 WeakPolarHBondContact OG1-CB 3.35Å; T128-A131 PolarHBondContact OG1-N 2.97Å; T128-A131 VanDerWaalsContact OG1-N 3.11Å; T128-A132 PolarHBondContact O-N 2.95Å; T128-I187 HydrophobicContact CG2-CB 4.35Å; T128-I187 HydrophobicContact CG2-CG1 4Å; T128-I187 HydrophobicContact CG2-CG2 4.38Å
129M94.1Very high91.5Very high67 Ų6765.1 Ų65.133%0.3332%0.315SS..Hα-helixtrans-59.3-37.9172-175.1-175.8-74.400111.4A132 M133 Y184 Y185M129-A132 WeakPolarHBondContact O-CB 2.97Å; M129-A132 PolarHBondContact O-N 3.37Å; M129-M133 HydrophobicContact CG-CG 4.29Å; M129-M133 HydrophobicContact CG-SD 4.09Å; M129-M133 WeakPolarHBondContact O-CB 3.34Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.45Å; M129-M133 PolarHBondContact O-N 3.32Å; M129-M133 HydrophobicContact SD-SD 4.46Å; M129-Y184 WeakPolarHBondContact CE-O 3.21Å; M129-Y184 HydrophobicContact SD-CD1 4.25Å; M129-Y184 HydrophobicContact SD-CE1 3.7Å; M129-Y185 WeakPolarHBondContact CB-O 3.4Å; M129-Y185 PolarHBondContact N-O 2.85Å
130L94.1Very high91.3Very high0 Ų064.2 Ų64.20%031%0.31CS..Hα-helixtrans-63.2-45.7177.6-66.8171.2000111.2L122 T128 A132 M133 F134 I150 F157 I160 L164 Y185 I187L122-L130 HydrophobicContact CD2-CD1 4.3Å; L122-L130 HydrophobicContact CD2-CD2 4.44Å; T128-L130 PolarHBondContact O-N 3.15Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.26Å; L130-M133 PolarHBondContact O-N 3.23Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å; L130-F134 PolarHBondContact O-N 2.88Å; L130-I150 HydrophobicContact CD2-CD1 4.27Å; L130-F157 HydrophobicContact CD1-CE2 4.35Å; L130-F157 HydrophobicContact CD2-CE2 4.36Å; L130-F157 HydrophobicContact CD2-CZ 4.47Å; L130-I160 HydrophobicContact CD1-CG2 4.4Å; L130-L164 HydrophobicContact CD1-CD1 3.73Å; L130-Y185 HydrophobicContact CD1-CD1 4.2Å; L130-Y185 HydrophobicContact CD1-CG 4.26Å; L130-Y185 HydrophobicContact CD2-CD1 3.72Å; L130-Y185 HydrophobicContact CD2-CE1 3.87Å; L130-Y185 HydrophobicContact CG-CD1 3.78Å; L130-Y185 HydrophobicContact CG-CE1 4.42Å; L130-Y185 HydrophobicContact CG-CG 4.24Å; L130-I187 HydrophobicContact CD1-CD1 4.43Å
131A93.3Very high91.2Very high7 Ų763.8 Ų63.86%0.05831%0.305CS..Hα-helixtrans-62.9-37.3174.600000112.3L122 Y125 T128 F134 S135L122-A131 PolarHBondContact O-N 3.27Å; Y125-A131 WeakPolarHBondContact O-CB 3.49Å; T128-A131 PolarHBondContact O-N 3.24Å; T128-A131 WeakPolarHBondContact OG1-CB 3.35Å; T128-A131 PolarHBondContact OG1-N 2.97Å; T128-A131 VanDerWaalsContact OG1-N 3.11Å; A131-F134 CarbonylContact O-C 3.58Å; A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.28Å
132A92.6Very high91.1Very high29 Ų2970.1 Ų70.124%0.2433%0.327CS..Hα-helixtrans-64.2-50.1174.700000112.2T128 M129 L130 F134 S135 H138T128-A132 PolarHBondContact O-N 2.95Å; M129-A132 WeakPolarHBondContact O-CB 2.97Å; M129-A132 PolarHBondContact O-N 3.37Å; L130-A132 VanDerWaalsContact C-N 3.3Å; L130-A132 PolarHBondContact O-N 3.26Å; A132-F134 PolarHBondContact O-N 3.31Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.19Å; A132-S135 PolarHBondContact O-N 3.32Å; A132-S135 VanDerWaalsContact O-N 3.11Å; A132-S135 PolarHBondContact O-OG 3.36Å; A132-H138 PolarHBondContact O-CD2 3.05Å
133M91.4Very high91Very high34 Ų3471.6 Ų71.617%0.16734%0.335CS..Hα-helixtrans-54.2-51.5176.6-72174.276.700110.8M129 L130 S135 I140 I150M129-M133 HydrophobicContact CG-CG 4.29Å; M129-M133 HydrophobicContact CG-SD 4.09Å; M129-M133 WeakPolarHBondContact O-CB 3.34Å; M129-M133 VanDerWaalsContact O-CG 3.27Å; M129-M133 WeakPolarHBondContact O-CG 3.45Å; M129-M133 PolarHBondContact O-N 3.32Å; M129-M133 HydrophobicContact SD-SD 4.46Å; L130-M133 PolarHBondContact O-N 3.23Å; M133-S135 PolarHBondContact O-N 3.19Å; M133-I140 HydrophobicContact CB-CD1 3.85Å; M133-I140 HydrophobicContact CB-CG1 4.2Å; M133-I140 HydrophobicContact CE-CD1 4.45Å; M133-I140 HydrophobicContact CE-CG1 4.32Å; M133-I140 HydrophobicContact CE-CG2 3.93Å; M133-I150 HydrophobicContact CE-CD1 4.34Å; M133-I150 HydrophobicContact CE-CG1 4.18Å
134F92Very high91Very high0 Ų070.6 Ų70.60%035%0.353CS..THydrogen-bonded Turntrans-85.819.8-179.2-65.7-82.7000113.9F102 I106 L108 L119 L122 R123 L130 A131 A132 I140 F148F102-F134 AromaticContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CD1 3.72Å; F102-F134 HydrophobicContact CD1-CE1 4.28Å; F102-F134 AromaticContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CD1 3.56Å; F102-F134 HydrophobicContact CE1-CE1 4.07Å; F102-F134 WeakPolarHBondContact CE2-O 3.43Å; F102-F134 HydrophobicContact CG-CD1 4.44Å; F102-F134 HydrophobicContact CZ-CD1 4.18Å; I106-F134 HydrophobicContact CD1-CD1 4.4Å; I106-F134 HydrophobicContact CD1-CE1 4.41Å; I106-F134 HydrophobicContact CG2-CD1 4.47Å; I106-F134 HydrophobicContact CG2-CE1 3.72Å; I106-F134 HydrophobicContact CG2-CZ 4.07Å; L108-F134 HydrophobicContact CD2-CE1 4.38Å; L108-F134 HydrophobicContact CD2-CE2 4.17Å; L108-F134 HydrophobicContact CD2-CZ 3.54Å; L119-F134 HydrophobicContact CD1-CB 3.89Å; L119-F134 HydrophobicContact CD1-CD1 4.43Å; L119-F134 HydrophobicContact CD1-CG 4.49Å; L122-F134 HydrophobicContact CB-CD2 4.28Å; L122-F134 HydrophobicContact CD1-CD1 4.37Å; L122-F134 HydrophobicContact CD1-CD2 3.83Å; L122-F134 HydrophobicContact CD1-CE1 4.34Å; L122-F134 HydrophobicContact CD1-CE2 3.81Å; L122-F134 HydrophobicContact CD1-CG 4.15Å; L122-F134 HydrophobicContact CD1-CZ 4.08Å; R123-F134 HydrophobicContact CG-CB 4.44Å; L130-F134 WeakPolarHBondContact O-CD2 3.33Å; L130-F134 PolarHBondContact O-N 2.88Å; A131-F134 CarbonylContact O-C 3.58Å; A132-F134 PolarHBondContact O-N 3.31Å; F134-I140 HydrophobicContact CD1-CD1 3.81Å; F134-I140 HydrophobicContact CD2-CD1 4.17Å; F134-I140 HydrophobicContact CE1-CD1 3.53Å; F134-I140 HydrophobicContact CE2-CD1 3.91Å; F134-I140 HydrophobicContact CG-CD1 4.11Å; F134-I140 HydrophobicContact CZ-CD1 3.57Å; F134-F148 HydrophobicContact CE1-CB 4.37Å; F134-F148 HydrophobicContact CE1-CD1 4.26Å; F134-F148 AromaticContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CE1 4.46Å; F134-F148 HydrophobicContact CE1-CE2 4.11Å; F134-F148 AromaticContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CZ 4.37Å; F134-F148 HydrophobicContact CZ-CB 4.13Å; F134-F148 HydrophobicContact CZ-CD2 4.41Å; F134-F148 HydrophobicContact CZ-CG 4.19Å
135S88.1Confident90.9Very high35 Ų3571.3 Ų71.325%0.24536%0.361CS..THydrogen-bonded Turntrans-85.6-9173.471.30000114.4A131 A132 M133 R137A131-S135 WeakPolarHBondContact O-CB 3.44Å; A131-S135 PolarHBondContact O-N 3.28Å; A132-S135 VanDerWaalsContact O-CB 3.29Å; A132-S135 WeakPolarHBondContact O-CB 3.19Å; A132-S135 PolarHBondContact O-N 3.32Å; A132-S135 VanDerWaalsContact O-N 3.11Å; A132-S135 PolarHBondContact O-OG 3.36Å; M133-S135 PolarHBondContact O-N 3.19Å; S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å; S135-R137 PolarHBondContact OG-NE 3.13Å; S135-R137 PolarHBondContact OG-NH2 2.97Å
136G85.3Confident90.9Very high20 Ų2070.5 Ų70.521%0.20637%0.369CS..THydrogen-bonded Turntrans85.3-4.3178.900000114.5P100P100-G136 WeakPolarHBondContact CG-O 3.38Å
137R84.9Confident91.1Very high194 Ų19464.5 Ų64.573%0.73234%0.339SS*.THydrogen-bonded Turntrans-86.4-9.4175.4-59.6177.7-66.7173.5-0.2113.4S135S135-R137 VanDerWaalsContact C-N 3.26Å; S135-R137 PolarHBondContact O-N 3.35Å; S135-R137 PolarHBondContact OG-NE 3.13Å; S135-R137 PolarHBondContact OG-NH2 2.97Å
138H85.8Confident91.3Very high101 Ų10159.7 Ų59.747%0.46831%0.313SS..SBendtrans-124.6136.9-175.3-62.1-90.7000110.2A132A132-H138 PolarHBondContact O-CD2 3.05Å
139H86.8Confident91.4Very high173 Ų17362.9 Ų62.980%0.80133%0.326SS*.  trans-77.6123.6168.3179.276.6000109.1
140I89.8Confident91.4Very high10 Ų1059.9 Ų59.95%0.05131%0.312CS..  trans-106.3127.2173.2-48.6172.4000107.5F102 M133 F134 F148F102-I140 HydrophobicContact CE1-CD1 4.29Å; F102-I140 HydrophobicContact CZ-CD1 4.48Å; M133-I140 HydrophobicContact CB-CD1 3.85Å; M133-I140 HydrophobicContact CB-CG1 4.2Å; M133-I140 HydrophobicContact CE-CD1 4.45Å; M133-I140 HydrophobicContact CE-CG1 4.32Å; M133-I140 HydrophobicContact CE-CG2 3.93Å; F134-I140 HydrophobicContact CD1-CD1 3.81Å; F134-I140 HydrophobicContact CD2-CD1 4.17Å; F134-I140 HydrophobicContact CE1-CD1 3.53Å; F134-I140 HydrophobicContact CE2-CD1 3.91Å; F134-I140 HydrophobicContact CG-CD1 4.11Å; F134-I140 HydrophobicContact CZ-CD1 3.57Å; I140-F148 HydrophobicContact CB-CD1 3.86Å; I140-F148 HydrophobicContact CB-CE1 4.45Å; I140-F148 HydrophobicContact CD1-CD1 4.14Å; I140-F148 HydrophobicContact CD1-CE1 4.45Å; I140-F148 HydrophobicContact CG2-CB 4.11Å; I140-F148 HydrophobicContact CG2-CD1 3.98Å
141P92.4Very high91.4Very high69 Ų6966.1 Ų66.145%0.44835%0.345SS..  trans-56.2156.2173.5-24.834.9000112.5F149P141-F149 HydrophobicContact CB-CB 4.45Å; P141-F149 PolarHBondContact O-N 3.14Å
142R94Very high91.5Very high154 Ų15469.4 Ų69.458%0.58136%0.356SS*.BIsolated β-bridgetrans-126.3149.9172.7-68.4178.9178.4173.92.7110.7G146 R147 F148R142-G146 WeakPolarHBondContact CD-O 3.33Å; R142-R147 CarbonylContact C-O 3.53Å; R142-R147 WeakPolarHBondContact CA-O 3.36Å; R142-R147 WeakPolarHBondContact CB-O 3.19Å; R142-F148 HydrophobicContact CG-CD1 4.09Å; R142-F148 HydrophobicContact CG-CE1 4.5Å; R142-F148 VanDerWaalsContact NH2-CZ 3.29Å
143D93.6Very high91.4Very high30 Ų3071.8 Ų71.816%0.1636%0.364CS..  trans-77.9179.3170.466.911.8000112.2N109 E145 G146 R147N109-D143 WeakPolarHBondContact CB-OD2 3.41Å; N109-D143 PolarHBondContact ND2-OD2 2.83Å; D143-E145 VanDerWaalsContact CG-OE2 3.31Å; D143-E145 PolarHBondContact O-N 2.93Å; D143-E145 PolarHBondContact OD1-N 2.97Å; D143-G146 PolarHBondContact O-N 3.14Å; D143-G146 PolarHBondContact OD1-N 2.98Å; D143-G146 VanDerWaalsContact OD1-N 3.12Å; D143-R147 PolarHBondContact N-O 3.04Å; D143-R147 WeakPolarHBondContact OD1-CB 3.49Å; D143-R147 PolarHBondContact OD1-N 2.84Å; D143-R147 IonicContact OD1-NE 3.49Å; D143-R147 PolarHBondContact OD1-NE 3.09Å; D143-R147 IonicContact OD2-CZ 3.32Å; D143-R147 VanDerWaalsContact OD2-CZ 3.32Å; D143-R147 IonicContact OD2-NE 2.75Å; D143-R147 PolarHBondContact OD2-NE 3.22Å; D143-R147 IonicContact OD2-NH2 3.08Å; D143-R147 PolarHBondContact OD2-NH2 3Å; D143-R147 VanDerWaalsContact OD2-NH2 3.08Å
144A92.4Very high91.4Very high101 Ų10170.2 Ų70.284%0.83536%0.357SS*.THydrogen-bonded Turntrans-61.4-25.6-177.300000112.9G146A144-G146 VanDerWaalsContact C-N 3.35Å
145E92.3Very high91.5Very high126 Ų12672.9 Ų72.959%0.58938%0.379SS*.THydrogen-bonded Turntrans-90.82.8177.7-57.775.6-169.800112.8D143 R147D143-E145 VanDerWaalsContact CG-OE2 3.31Å; D143-E145 PolarHBondContact O-N 2.93Å; D143-E145 PolarHBondContact OD1-N 2.97Å; E145-R147 IonicContact OE1-NH2 3.8Å; E145-R147 IonicContact OE2-CZ 3.72Å; E145-R147 IonicContact OE2-NH2 2.71Å; E145-R147 PolarHBondContact OE2-NH2 2.86Å
146G91.3Very high91.8Very high38 Ų3874.2 Ų74.239%0.39238%0.379SS..SBendtrans80.510.217600000115.3R142 D143 A144R142-G146 WeakPolarHBondContact CD-O 3.33Å; D143-G146 PolarHBondContact O-N 3.14Å; D143-G146 PolarHBondContact OD1-N 2.98Å; D143-G146 VanDerWaalsContact OD1-N 3.12Å; A144-G146 VanDerWaalsContact C-N 3.35Å
147R94.2Very high92.3Very high49 Ų4973.2 Ų73.219%0.18537%0.37CS..PPolyproline II helixtrans-78.5145175.4-54.7171.7-76-142.7-5.5109.4N109 Y114 R142 D143 E145 F149N109-R147 HydrophobicContact CB-CB 4.35Å; Y114-R147 VanDerWaalsContact CD1-CZ 3.48Å; Y114-R147 VanDerWaalsContact CE1-NH1 3.33Å; R142-R147 CarbonylContact C-O 3.53Å; R142-R147 WeakPolarHBondContact CA-O 3.36Å; R142-R147 WeakPolarHBondContact CB-O 3.19Å; D143-R147 PolarHBondContact N-O 3.04Å; D143-R147 WeakPolarHBondContact OD1-CB 3.49Å; D143-R147 PolarHBondContact OD1-N 2.84Å; D143-R147 IonicContact OD1-NE 3.49Å; D143-R147 PolarHBondContact OD1-NE 3.09Å; D143-R147 IonicContact OD2-CZ 3.32Å; D143-R147 VanDerWaalsContact OD2-CZ 3.32Å; D143-R147 IonicContact OD2-NE 2.75Å; D143-R147 PolarHBondContact OD2-NE 3.22Å; D143-R147 IonicContact OD2-NH2 3.08Å; D143-R147 PolarHBondContact OD2-NH2 3Å; D143-R147 VanDerWaalsContact OD2-NH2 3.08Å; E145-R147 IonicContact OE1-NH2 3.8Å; E145-R147 IonicContact OE2-CZ 3.72Å; E145-R147 IonicContact OE2-NH2 2.71Å; E145-R147 PolarHBondContact OE2-NH2 2.86Å; R147-F149 PolarHBondContact O-N 3.26Å
148F94.7Very high92.8Very high14 Ų1465 Ų656%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-70.3124.8179.3-65.1-81.9000110.6F102 I106 S107 L108 N109 F134 I140 R142F102-F148 HydrophobicContact CD1-CE1 4.3Å; F102-F148 HydrophobicContact CD1-CE2 4.26Å; F102-F148 AromaticContact CD1-CZ 3.64Å; F102-F148 HydrophobicContact CD1-CZ 3.64Å; F102-F148 AromaticContact CE1-CE1 3.82Å; F102-F148 HydrophobicContact CE1-CE1 3.82Å; F102-F148 AromaticContact CE1-CZ 3.64Å; F102-F148 HydrophobicContact CE1-CZ 3.64Å; I106-F148 HydrophobicContact CD1-CE2 4.03Å; I106-F148 HydrophobicContact CG2-CD2 3.78Å; I106-F148 HydrophobicContact CG2-CE2 4.14Å; S107-F148 PolarHBondContact O-N 3.17Å; L108-F148 CarbonylContact C-O 3.58Å; L108-F148 WeakPolarHBondContact CA-O 3.41Å; L108-F148 HydrophobicContact CD2-CB 4.05Å; N109-F148 PolarHBondContact N-O 2.92Å; F134-F148 HydrophobicContact CE1-CB 4.37Å; F134-F148 HydrophobicContact CE1-CD1 4.26Å; F134-F148 AromaticContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CD2 3.87Å; F134-F148 HydrophobicContact CE1-CE1 4.46Å; F134-F148 HydrophobicContact CE1-CE2 4.11Å; F134-F148 AromaticContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CG 3.92Å; F134-F148 HydrophobicContact CE1-CZ 4.37Å; F134-F148 HydrophobicContact CZ-CB 4.13Å; F134-F148 HydrophobicContact CZ-CD2 4.41Å; F134-F148 HydrophobicContact CZ-CG 4.19Å; I140-F148 HydrophobicContact CB-CD1 3.86Å; I140-F148 HydrophobicContact CB-CE1 4.45Å; I140-F148 HydrophobicContact CD1-CD1 4.14Å; I140-F148 HydrophobicContact CD1-CE1 4.45Å; I140-F148 HydrophobicContact CG2-CB 4.11Å; I140-F148 HydrophobicContact CG2-CD1 3.98Å; R142-F148 HydrophobicContact CG-CD1 4.09Å; R142-F148 HydrophobicContact CG-CE1 4.5Å; R142-F148 VanDerWaalsContact NH2-CZ 3.29Å
149F95.5Very high93.2Very high70 Ų7061.2 Ų61.231%0.30733%0.328SS..EExtended strand (participates in β ladder)trans-94.2137-174.7-179.3-108000112.1N109 P141 R147 D151N109-F149 HydrophobicContact CB-CD2 4.19Å; N109-F149 CarbonylContact O-C 3.58Å; N109-F149 WeakPolarHBondContact O-CA 3.19Å; N109-F149 WeakPolarHBondContact O-CD2 3.45Å; P141-F149 HydrophobicContact CB-CB 4.45Å; P141-F149 PolarHBondContact O-N 3.14Å; R147-F149 PolarHBondContact O-N 3.26Å; F149-D151 HydrophobicContact CE1-CB 3.86Å; F149-D151 HydrophobicContact CZ-CB 4.14Å
150I95.3Very high93.7Very high4 Ų453 Ų532%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-132.1121174.9-53.6-177.1000107.9N109 V110 G111 L130 M133 R152 Y185N109-I150 PolarHBondContact O-N 3.35Å; V110-I150 WeakPolarHBondContact CA-O 3.28Å; V110-I150 HydrophobicContact CG1-CB 4.4Å; V110-I150 HydrophobicContact CG2-CB 4.28Å; V110-I150 HydrophobicContact CG2-CD1 4.34Å; G111-I150 PolarHBondContact N-O 3.17Å; L130-I150 HydrophobicContact CD2-CD1 4.27Å; M133-I150 HydrophobicContact CE-CD1 4.34Å; M133-I150 HydrophobicContact CE-CG1 4.18Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 HydrophobicContact CG2-CB 4.06Å; I150-R152 HydrophobicContact CG2-CG 3.78Å; I150-R152 PolarHBondContact O-N 3.32Å; I150-Y185 HydrophobicContact CG2-CE1 4.21Å
151D94.7Very high94Very high130 Ų13052.5 Ų52.570%0.69529%0.287SS*.  trans-82.469.3180-167.626.2000111.3F149F149-D151 HydrophobicContact CE1-CB 3.86Å; F149-D151 HydrophobicContact CZ-CB 4.14Å
152R94.1Very high94.2Very high77 Ų7751.8 Ų51.829%0.29128%0.28SS..SBendtrans-142.6166.1-179.2-68-55.6-62.6175-0.6111.2V110 G111 I150 G154 E181 Y184 Y185V110-R152 CarbonylContact C-O 3.59Å; V110-R152 HydrophobicContact CG1-CB 3.99Å; G111-R152 WeakPolarHBondContact CA-O 3.38Å; G111-R152 PolarHBondContact N-O 2.9Å; G111-R152 VanDerWaalsContact N-O 3.13Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 HydrophobicContact CG2-CB 4.06Å; I150-R152 HydrophobicContact CG2-CG 3.78Å; I150-R152 PolarHBondContact O-N 3.32Å; R152-G154 PolarHBondContact O-N 2.92Å; R152-E181 IonicContact CZ-OE1 2.68Å; R152-E181 IonicContact CZ-OE2 2.66Å; R152-E181 IonicContact NE-OE1 3.12Å; R152-E181 IonicContact NE-OE2 3.99Å; R152-E181 PolarHBondContact NE-OE2 2.96Å; R152-E181 VanDerWaalsContact NH2-CD 3.26Å; R152-E181 IonicContact NH2-OE1 2.81Å; R152-E181 PolarHBondContact NH2-OE1 3.27Å; R152-E181 IonicContact NH2-OE2 3.78Å; R152-E181 PolarHBondContact NH2-OE2 3.44Å; R152-Y184 HydrophobicContact CG-CD1 3.76Å; R152-Y184 HydrophobicContact CG-CE1 3.43Å; R152-Y184 VanDerWaalsContact CG-CE1 3.43Å; R152-Y184 HydrophobicContact CG-CG 4.44Å; R152-Y185 WeakPolarHBondContact CB-OH 3.41Å
153D90.1Very high94.3Very high78 Ų7844.9 Ų44.942%0.41725%0.254SS..  trans-72.4109.2178.2-170.6-10.9000111.4A155 Y156D153-A155 PolarHBondContact O-N 3.1Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 3.11Å; D153-Y156 HydrophobicContact CB-CD2 4.3Å; D153-Y156 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.4Å
154G92.6Very high94.4Very high2 Ų243.6 Ų43.62%0.02125%0.247CC..Hα-helixtrans-66-18.8177.400000114.7V110 F115 R152 Y156 F157V110-G154 WeakPolarHBondContact O-CA 3.42Å; F115-G154 VanDerWaalsContact CZ-O 3.29Å; F115-G154 WeakPolarHBondContact CZ-O 3.16Å; R152-G154 PolarHBondContact O-N 2.92Å; G154-Y156 PolarHBondContact O-N 2.8Å; G154-F157 PolarHBondContact O-N 3.3Å
155A93.5Very high94.5Very high56 Ų5643.4 Ų43.446%0.46323%0.225SC..Hα-helixtrans-61.2-32.4-17700000113.3D153D153-A155 PolarHBondContact O-N 3.1Å; D153-A155 WeakPolarHBondContact OD1-CB 3.37Å; D153-A155 PolarHBondContact OD1-N 3.11Å
156Y94.1Very high94.6Very high62 Ų6244.4 Ų44.424%0.24323%0.23CC..Hα-helixtrans-102.2-11.3-179.2-53.2-69000113.2D153 G154 G158 D159 I160 S177 V178D153-Y156 HydrophobicContact CB-CD2 4.3Å; D153-Y156 VanDerWaalsContact OD2-CE2 3.23Å; D153-Y156 WeakPolarHBondContact OD2-CE2 3.4Å; G154-Y156 PolarHBondContact O-N 2.8Å; Y156-G158 PolarHBondContact O-N 3.28Å; Y156-D159 PolarHBondContact O-N 2.79Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-I160 PolarHBondContact O-N 3.25Å; Y156-S177 PolarHBondContact OH-OG 3.06Å; Y156-V178 HydrophobicContact CD1-CG2 4.12Å; Y156-V178 HydrophobicContact CG-CG2 4.47Å
157F96.1Very high94.6Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-66.9-23.6-179.6-168.1-100.5000113L108 V110 F115 L130 G154 I160 L161 Y185L108-F157 HydrophobicContact CD1-CE1 3.62Å; L108-F157 HydrophobicContact CD1-CZ 3.86Å; V110-F157 HydrophobicContact CB-CG 4.4Å; V110-F157 HydrophobicContact CG1-CB 4.12Å; V110-F157 HydrophobicContact CG1-CD2 4.27Å; V110-F157 HydrophobicContact CG1-CG 4.12Å; V110-F157 HydrophobicContact CG2-CD1 3.78Å; V110-F157 HydrophobicContact CG2-CD2 4.36Å; V110-F157 HydrophobicContact CG2-CE1 3.93Å; V110-F157 HydrophobicContact CG2-CG 3.99Å; V110-F157 HydrophobicContact CG2-CZ 4.31Å; F115-F157 HydrophobicContact CD1-CD1 4.32Å; F115-F157 AromaticContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CD1 3.59Å; F115-F157 HydrophobicContact CD2-CE1 4.26Å; F115-F157 HydrophobicContact CD2-CG 4.49Å; F115-F157 HydrophobicContact CE1-CD1 4.43Å; F115-F157 HydrophobicContact CE2-CB 3.89Å; F115-F157 AromaticContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CD1 3.71Å; F115-F157 HydrophobicContact CE2-CG 4.23Å; F115-F157 AromaticContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CD1 3.9Å; F115-F157 HydrophobicContact CG-CE1 4.35Å; F115-F157 HydrophobicContact CZ-CB 4.03Å; F115-F157 HydrophobicContact CZ-CD1 4.14Å; L130-F157 HydrophobicContact CD1-CE2 4.35Å; L130-F157 HydrophobicContact CD2-CE2 4.36Å; L130-F157 HydrophobicContact CD2-CZ 4.47Å; G154-F157 PolarHBondContact O-N 3.3Å; F157-I160 HydrophobicContact CD2-CB 4.38Å; F157-I160 HydrophobicContact CE2-CG2 4.41Å; F157-I160 WeakPolarHBondContact O-CB 3.45Å; F157-I160 PolarHBondContact O-N 3.41Å; F157-L161 HydrophobicContact CD1-CD1 3.89Å; F157-L161 HydrophobicContact CD1-CG 3.92Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CD2 3.87Å; F157-L161 HydrophobicContact CE1-CG 3.6Å; F157-L161 HydrophobicContact CZ-CD2 4.17Å; F157-L161 HydrophobicContact CZ-CG 4.25Å; F157-L161 PolarHBondContact O-N 3.27Å; F157-Y185 AromaticContact CD2-CE2 3.64Å; F157-Y185 HydrophobicContact CD2-CE2 3.64Å; F157-Y185 AromaticContact CD2-CZ 3.61Å; F157-Y185 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y185 HydrophobicContact CE2-CE1 4.08Å; F157-Y185 AromaticContact CE2-CE2 3.85Å; F157-Y185 HydrophobicContact CE2-CE2 3.85Å; F157-Y185 AromaticContact CE2-CZ 3.58Å
158G95.3Very high94.6Very high21 Ų2146.6 Ų46.622%0.21624%0.24CC..Hα-helixtrans-60.5-44.6170.500000112.6Y156 L161 N162Y156-G158 PolarHBondContact O-N 3.28Å; G158-L161 PolarHBondContact O-N 3.06Å; G158-N162 PolarHBondContact O-N 3.38Å; G158-N162 PolarHBondContact O-OD1 2.62Å
159D95.6Very high94.5Very high21 Ų2149.8 Ų49.811%0.11226%0.258CS..Hα-helixtrans-65.2-39.3176.9-64.1-73.3000111.1Y156 L161 N162 F163 P170 R174 V178Y156-D159 PolarHBondContact O-N 2.79Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; D159-L161 PolarHBondContact O-N 2.69Å; D159-N162 PolarHBondContact O-N 3.35Å; D159-F163 PolarHBondContact O-N 2.84Å; D159-P170 HydrophobicContact CB-CB 4.08Å; D159-R174 WeakPolarHBondContact OD2-CD 3.5Å; D159-R174 IonicContact OD2-CZ 3.95Å; D159-R174 IonicContact OD2-NH1 2.97Å; D159-R174 PolarHBondContact OD2-NH1 3.45Å; D159-V178 HydrophobicContact CB-CG1 4.19Å; D159-V178 HydrophobicContact CB-CG2 3.73Å
160I96.5Very high94.4Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-58.6-46.2171.8-59.6-63.3000111.5L130 Y156 F157 F163 L164 V178 E181 A182 Y185 I187 L190L130-I160 HydrophobicContact CD1-CG2 4.4Å; Y156-I160 PolarHBondContact O-N 3.25Å; F157-I160 HydrophobicContact CD2-CB 4.38Å; F157-I160 HydrophobicContact CE2-CG2 4.41Å; F157-I160 WeakPolarHBondContact O-CB 3.45Å; F157-I160 PolarHBondContact O-N 3.41Å; I160-F163 PolarHBondContact O-N 3.41Å; I160-L164 HydrophobicContact CG2-CD1 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 3.05Å; I160-V178 HydrophobicContact CD1-CG1 3.84Å; I160-E181 HydrophobicContact CD1-CB 4.07Å; I160-E181 HydrophobicContact CG1-CB 4.15Å; I160-A182 HydrophobicContact CD1-CB 4.23Å; I160-Y185 HydrophobicContact CG1-CD2 4.37Å; I160-Y185 HydrophobicContact CG2-CD2 4.33Å; I160-I187 HydrophobicContact CD1-CD1 4.45Å; I160-I187 HydrophobicContact CG2-CD1 3.5Å; I160-L190 HydrophobicContact CD1-CD2 3.6Å
161L96.2Very high94.1Very high0 Ų053.3 Ų53.30%028%0.276CS..Hα-helixtrans-66.1-37.1178.2-75.7179.4000112.8F115 T117 L122 F157 G158 D159 L164 R165F115-L161 HydrophobicContact CB-CD1 3.92Å; F115-L161 HydrophobicContact CD1-CD1 3.64Å; F115-L161 HydrophobicContact CE1-CD1 4.4Å; F115-L161 HydrophobicContact CG-CD1 3.94Å; T117-L161 HydrophobicContact CG2-CD2 4.15Å; L122-L161 HydrophobicContact CD2-CD2 4.19Å; F157-L161 HydrophobicContact CD1-CD1 3.89Å; F157-L161 HydrophobicContact CD1-CG 3.92Å; F157-L161 HydrophobicContact CE1-CD1 3.68Å; F157-L161 HydrophobicContact CE1-CD2 3.87Å; F157-L161 HydrophobicContact CE1-CG 3.6Å; F157-L161 HydrophobicContact CZ-CD2 4.17Å; F157-L161 HydrophobicContact CZ-CG 4.25Å; F157-L161 PolarHBondContact O-N 3.27Å; G158-L161 PolarHBondContact O-N 3.06Å; D159-L161 PolarHBondContact O-N 2.69Å; L161-L164 CarbonylContact O-C 3.55Å; L161-L164 PolarHBondContact O-N 3.26Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CD 3.37Å; L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 3.01Å
162N96Very high93.8Very high55 Ų5554.9 Ų54.929%0.29427%0.272SS..Hα-helixtrans-66.8-40.2178.1-70.2-2.5000111.3G158 D159 L164 R165 E166 G167 E168G158-N162 PolarHBondContact O-N 3.38Å; G158-N162 PolarHBondContact O-OD1 2.62Å; D159-N162 PolarHBondContact O-N 3.35Å; N162-L164 PolarHBondContact O-N 3.49Å; N162-R165 PolarHBondContact O-N 3.17Å; N162-R165 PolarHBondContact OD1-NH1 3.11Å; N162-E166 PolarHBondContact O-N 3.41Å; N162-G167 PolarHBondContact O-N 3.25Å; N162-E168 HydrophobicContact CB-CB 4.38Å
163F96.4Very high93.5Very high9 Ų956.7 Ų56.74%0.03929%0.288CS..Hα-helixtrans-58.4-47169.1-176.8-96.2000112.1Y125 D159 I160 R165 G167 E168 L169 I187 P189 L190Y125-F163 AromaticContact CE2-CE1 3.95Å; Y125-F163 HydrophobicContact CE2-CE1 3.95Å; D159-F163 PolarHBondContact O-N 2.84Å; I160-F163 PolarHBondContact O-N 3.41Å; F163-R165 PolarHBondContact O-N 2.99Å; F163-G167 VanDerWaalsContact O-CA 3.27Å; F163-G167 WeakPolarHBondContact O-CA 3.14Å; F163-G167 PolarHBondContact O-N 2.78Å; F163-E168 WeakPolarHBondContact CA-O 3.49Å; F163-E168 WeakPolarHBondContact CB-O 3.23Å; F163-L169 HydrophobicContact CD2-CD2 4.07Å; F163-L169 HydrophobicContact CE2-CD2 4.16Å; F163-I187 HydrophobicContact CD1-CG2 4.16Å; F163-I187 HydrophobicContact CE1-CG2 3.95Å; F163-P189 HydrophobicContact CE1-CB 4.34Å; F163-P189 HydrophobicContact CZ-CB 4.04Å; F163-L190 HydrophobicContact CB-CD1 4.26Å; F163-L190 HydrophobicContact CB-CD2 4.26Å; F163-L190 HydrophobicContact CD1-CB 3.78Å; F163-L190 HydrophobicContact CD1-CD1 4.33Å; F163-L190 HydrophobicContact CD1-CD2 4.2Å; F163-L190 HydrophobicContact CD1-CG 4.32Å; F163-L190 HydrophobicContact CD2-CB 4.37Å; F163-L190 HydrophobicContact CD2-CD1 3.63Å; F163-L190 HydrophobicContact CD2-CG 4.46Å; F163-L190 HydrophobicContact CE1-CB 3.63Å; F163-L190 HydrophobicContact CE2-CB 4.22Å; F163-L190 HydrophobicContact CE2-CD1 4Å; F163-L190 HydrophobicContact CG-CB 4.15Å; F163-L190 HydrophobicContact CG-CD1 3.8Å; F163-L190 HydrophobicContact CG-CD2 4.16Å; F163-L190 HydrophobicContact CG-CG 4.25Å; F163-L190 HydrophobicContact CZ-CB 3.86Å
164L95Very high93.6Very high2 Ų257.4 Ų57.41%0.0128%0.284CS..Hα-helixtrans-66.2-22.5177.8-67.1175.4000113.6T121 R124 Y125 L130 I160 L161 N162 I187T121-L164 HydrophobicContact CG2-CB 3.7Å; R124-L164 WeakPolarHBondContact CD-O 3.46Å; R124-L164 PolarHBondContact NH1-O 2.97Å; Y125-L164 HydrophobicContact CD2-CD2 3.62Å; Y125-L164 HydrophobicContact CE2-CD2 4Å; L130-L164 HydrophobicContact CD1-CD1 3.73Å; I160-L164 HydrophobicContact CG2-CD1 4.22Å; I160-L164 WeakPolarHBondContact O-CG 3.27Å; I160-L164 PolarHBondContact O-N 3.05Å; L161-L164 CarbonylContact O-C 3.55Å; L161-L164 PolarHBondContact O-N 3.26Å; N162-L164 PolarHBondContact O-N 3.49Å; L164-I187 HydrophobicContact CD2-CD1 4.47Å
165R94.9Very high93.6Very high98 Ų9857.3 Ų57.337%0.3728%0.283SS..Hα-helixtrans-85.5-52.7177.2-73163.4179.9167.4-4.1112.3T116 T121 R124 L161 N162 F163T116-R165 PolarHBondContact O-NH2 2.9Å; T121-R165 HydrophobicContact CG2-CG 3.77Å; R124-R165 PolarHBondContact NH1-O 3.03Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CD 3.37Å; L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 3.01Å; N162-R165 PolarHBondContact O-N 3.17Å; N162-R165 PolarHBondContact OD1-NH1 3.11Å; F163-R165 PolarHBondContact O-N 2.99Å
166E94.2Very high93.5Very high147 Ų14760 Ų6069%0.68728%0.282SS*.Hα-helixtrans-128.7-11.2-164.9-73.9169.7-139.700113N162 E168N162-E166 PolarHBondContact O-N 3.41Å; E166-E168 HydrophobicContact CB-CG 4.12Å
167G92.1Very high93.4Very high32 Ų3258.3 Ų58.333%0.3328%0.279SS..  trans84.212.5-174.700000113.5N162 F163N162-G167 PolarHBondContact O-N 3.25Å; F163-G167 VanDerWaalsContact O-CA 3.27Å; F163-G167 WeakPolarHBondContact O-CA 3.14Å; F163-G167 PolarHBondContact O-N 2.78Å
168E93.6Very high93.3Very high101 Ų10158.3 Ų58.347%0.47228%0.279SS..PPolyproline II helixtrans-63.4140177.7-64.1-166.5132.400112N162 F163 E166N162-E168 HydrophobicContact CB-CB 4.38Å; F163-E168 WeakPolarHBondContact CA-O 3.49Å; F163-E168 WeakPolarHBondContact CB-O 3.23Å; E166-E168 HydrophobicContact CB-CG 4.12Å
169L93.4Very high93.3Very high81 Ų8158.5 Ų58.542%0.42427%0.274SS..PPolyproline II helixtrans-96.6148.1174.6-63-179.8000110.8F163 L190F163-L169 HydrophobicContact CD2-CD2 4.07Å; F163-L169 HydrophobicContact CE2-CD2 4.16Å; L169-L190 HydrophobicContact CD2-CD1 3.85Å
170P92.8Very high93.2Very high12 Ų1265.6 Ų65.68%0.07830%0.299CS..PPolyproline II helixtrans-66.5161.5-179.729.9-38.6000113.1D159 R174 V175 V178 L194D159-P170 HydrophobicContact CB-CB 4.08Å; P170-R174 HydrophobicContact CB-CB 4.22Å; P170-V175 HydrophobicContact CG-CG2 4.07Å; P170-V178 HydrophobicContact CB-CB 4.22Å; P170-V178 HydrophobicContact CB-CG1 4.31Å; P170-V178 HydrophobicContact CB-CG2 3.83Å; P170-V178 HydrophobicContact CG-CB 3.95Å; P170-V178 HydrophobicContact CG-CG1 3.89Å; P170-V178 HydrophobicContact CG-CG2 4.13Å; P170-L194 HydrophobicContact CG-CD2 3.58Å
171Q89.9Confident93.2Very high135 Ų13566.1 Ų66.163%0.63130%0.302SS*.PPolyproline II helixtrans-62.8150.4170.5-61.4-175.33.600111.5D173 R174 V175Q171-D173 WeakPolarHBondContact CB-OD1 3.38Å; Q171-D173 PolarHBondContact O-N 3.15Å; Q171-D173 VanDerWaalsContact O-N 3.17Å; Q171-R174 WeakPolarHBondContact O-CA 3.08Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.87Å; Q171-V175 PolarHBondContact O-N 2.9Å; Q171-V175 VanDerWaalsContact O-N 3.14Å
172R86.9Confident93.2Very high163 Ų16366.1 Ų66.162%0.61530%0.302SS*.THydrogen-bonded Turntrans-60.9-29-168.2-65.2176.972.7-175.72.7114.3R174R172-R174 VanDerWaalsContact C-N 3.34Å
173D89.1Confident93.1Very high116 Ų11668.7 Ų68.762%0.6231%0.312SS*.THydrogen-bonded Turntrans-67.7-31.7172.861.8-48000112.6Q171Q171-D173 WeakPolarHBondContact CB-OD1 3.38Å; Q171-D173 PolarHBondContact O-N 3.15Å; Q171-D173 VanDerWaalsContact O-N 3.17Å
174R91.2Very high93.1Very high92 Ų9272.4 Ų72.435%0.34733%0.327SS..THydrogen-bonded Turntrans-91.9-20-177.5-59.7-176.2176.7-148.6-5.5114.5D159 P170 Q171 R172 R176 S177 V178D159-R174 WeakPolarHBondContact OD2-CD 3.5Å; D159-R174 IonicContact OD2-CZ 3.95Å; D159-R174 IonicContact OD2-NH1 2.97Å; D159-R174 PolarHBondContact OD2-NH1 3.45Å; P170-R174 HydrophobicContact CB-CB 4.22Å; Q171-R174 WeakPolarHBondContact O-CA 3.08Å; Q171-R174 WeakPolarHBondContact O-CB 3.27Å; Q171-R174 PolarHBondContact O-N 2.87Å; R172-R174 VanDerWaalsContact C-N 3.34Å; R174-R176 PolarHBondContact O-N 2.74Å; R174-R176 VanDerWaalsContact O-N 3.1Å; R174-S177 PolarHBondContact O-N 3.37Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.36Å
175V92.8Very high93.1Very high0 Ų072.3 Ų72.30%033%0.326CS..Hα-helixtrans-43.9-46.8-177.4164.90000112.8P170 Q171 S177 H179 L194 T197 L200P170-V175 HydrophobicContact CG-CG2 4.07Å; Q171-V175 PolarHBondContact O-N 2.9Å; Q171-V175 VanDerWaalsContact O-N 3.14Å; V175-S177 PolarHBondContact O-N 3.02Å; V175-H179 WeakPolarHBondContact O-CB 3.5Å; V175-H179 PolarHBondContact O-N 3Å; V175-L194 HydrophobicContact CG1-CD2 4.25Å; V175-L194 HydrophobicContact CG2-CD2 4.33Å; V175-T197 HydrophobicContact CG2-CG2 3.84Å; V175-L200 HydrophobicContact CG1-CD1 3.73Å; V175-L200 HydrophobicContact CG1-CG 3.87Å
176R90.6Very high93.1Very high112 Ų11269.9 Ų69.942%0.42333%0.327SS..Hα-helixtrans-61.4-42179.2-73.4178.2170.8179.9-7.9113.3R174 P199 L200 E203R174-R176 PolarHBondContact O-N 2.74Å; R174-R176 VanDerWaalsContact O-N 3.1Å; R176-P199 HydrophobicContact CG-CG 3.86Å; R176-L200 HydrophobicContact CG-CD2 4.4Å; R176-E203 IonicContact CZ-OE1 2.62Å; R176-E203 IonicContact NE-OE1 3.57Å; R176-E203 PolarHBondContact NE-OE1 3.42Å; R176-E203 IonicContact NH2-OE1 3.34Å; R176-E203 PolarHBondContact NH2-OE1 3.04Å
177S93.1Very high93.2Very high27 Ų2762.9 Ų62.919%0.18929%0.294CS..Hα-helixtrans-76-44.6-179.4-58.70000111.4Y156 R174 V175 H179 R180 E181Y156-S177 PolarHBondContact OH-OG 3.06Å; R174-S177 PolarHBondContact O-N 3.37Å; V175-S177 PolarHBondContact O-N 3.02Å; S177-H179 VanDerWaalsContact C-N 3.27Å; S177-H179 PolarHBondContact O-N 3.14Å; S177-R180 WeakPolarHBondContact O-CB 3.29Å; S177-R180 PolarHBondContact O-N 3.21Å; S177-E181 PolarHBondContact O-N 3.17Å; S177-E181 VanDerWaalsContact O-N 3.17Å
178V94.8Very high93.3Very high0 Ų062.5 Ų62.50%029%0.29CS..Hα-helixtrans-63.7-34.3177.7178.80000111.1Y156 D159 I160 P170 R174 R180 E181 A182 L190 L194Y156-V178 HydrophobicContact CD1-CG2 4.12Å; Y156-V178 HydrophobicContact CG-CG2 4.47Å; D159-V178 HydrophobicContact CB-CG1 4.19Å; D159-V178 HydrophobicContact CB-CG2 3.73Å; I160-V178 HydrophobicContact CD1-CG1 3.84Å; P170-V178 HydrophobicContact CB-CB 4.22Å; P170-V178 HydrophobicContact CB-CG1 4.31Å; P170-V178 HydrophobicContact CB-CG2 3.83Å; P170-V178 HydrophobicContact CG-CB 3.95Å; P170-V178 HydrophobicContact CG-CG1 3.89Å; P170-V178 HydrophobicContact CG-CG2 4.13Å; R174-V178 HydrophobicContact CB-CG2 4.05Å; R174-V178 WeakPolarHBondContact O-CG2 3.34Å; R174-V178 PolarHBondContact O-N 3.36Å; V178-R180 VanDerWaalsContact C-N 3.35Å; V178-R180 PolarHBondContact O-N 3.46Å; V178-E181 PolarHBondContact O-N 3.38Å; V178-A182 VanDerWaalsContact O-CB 3.3Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.35Å; V178-L190 HydrophobicContact CG1-CD2 4.38Å; V178-L194 HydrophobicContact CG1-CD1 4.24Å
179H94.5Very high93.3Very high26 Ų2659.6 Ų59.612%0.1228%0.28CS..Hα-helixtrans-61-39.5172179.3-104000112.6V175 S177 A182 Q183 L194 L200V175-H179 WeakPolarHBondContact O-CB 3.5Å; V175-H179 PolarHBondContact O-N 3Å; S177-H179 VanDerWaalsContact C-N 3.27Å; S177-H179 PolarHBondContact O-N 3.14Å; H179-A182 PolarHBondContact O-N 3.47Å; H179-Q183 PolarHBondContact CE1-NE2 3.08Å; H179-Q183 WeakPolarHBondContact O-CG 3.42Å; H179-Q183 PolarHBondContact O-N 2.79Å; H179-L194 HydrophobicContact CB-CD1 3.96Å; H179-L200 HydrophobicContact CB-CD1 3.82Å
180R94.3Very high93.3Very high169 Ų16955.8 Ų55.864%0.63826%0.26SS*.Hα-helixtrans-65.3-40174.9-66.4173.4-178.9177.5-0112S177 V178 Q183 Y184S177-R180 WeakPolarHBondContact O-CB 3.29Å; S177-R180 PolarHBondContact O-N 3.21Å; V178-R180 VanDerWaalsContact C-N 3.35Å; V178-R180 PolarHBondContact O-N 3.46Å; R180-Q183 PolarHBondContact O-N 2.87Å; R180-Y184 PolarHBondContact O-N 2.94Å; R180-Y184 VanDerWaalsContact O-N 3.08Å
181E95.9Very high93.4Very high12 Ų1256.7 Ų56.76%0.05626%0.264CS..Hα-helixtrans-69.7-40174.5-62.3-42116.700112R152 I160 S177 V178 Q183 Y184 Y185R152-E181 IonicContact CZ-OE1 2.68Å; R152-E181 IonicContact CZ-OE2 2.66Å; R152-E181 IonicContact NE-OE1 3.12Å; R152-E181 IonicContact NE-OE2 3.99Å; R152-E181 PolarHBondContact NE-OE2 2.96Å; R152-E181 VanDerWaalsContact NH2-CD 3.26Å; R152-E181 IonicContact NH2-OE1 2.81Å; R152-E181 PolarHBondContact NH2-OE1 3.27Å; R152-E181 IonicContact NH2-OE2 3.78Å; R152-E181 PolarHBondContact NH2-OE2 3.44Å; I160-E181 HydrophobicContact CD1-CB 4.07Å; I160-E181 HydrophobicContact CG1-CB 4.15Å; S177-E181 PolarHBondContact O-N 3.17Å; S177-E181 VanDerWaalsContact O-N 3.17Å; V178-E181 PolarHBondContact O-N 3.38Å; E181-Q183 VanDerWaalsContact C-N 3.26Å; E181-Q183 PolarHBondContact O-N 2.78Å; E181-Y184 WeakPolarHBondContact O-CB 3.17Å; E181-Y184 PolarHBondContact O-N 3.28Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; E181-Y185 HydrophobicContact CB-CD2 4.21Å; E181-Y185 HydrophobicContact CB-CE2 4.09Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.25Å
182A95.3Very high93.5Very high0 Ų055.3 Ų55.30%026%0.261CS..Hα-helixtrans-61.1-35.4174.900000112.2I160 V178 H179 A186 I187 L190 L191 L194I160-A182 HydrophobicContact CD1-CB 4.23Å; V178-A182 VanDerWaalsContact O-CB 3.3Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.35Å; H179-A182 PolarHBondContact O-N 3.47Å; A182-A186 WeakPolarHBondContact O-CA 3.47Å; A182-A186 PolarHBondContact O-N 3.06Å; A182-I187 PolarHBondContact O-N 3.45Å; A182-L190 HydrophobicContact CB-CB 4.41Å; A182-L190 HydrophobicContact CB-CD2 3.7Å; A182-L190 HydrophobicContact CB-CG 3.91Å; A182-L191 HydrophobicContact CB-CD2 3.66Å; A182-L191 HydrophobicContact CB-CG 4.11Å; A182-L194 HydrophobicContact CB-CD1 4.31Å
183Q95.2Very high93.8Very high109 Ų10949.7 Ų49.751%0.50925%0.246SC..Hα-helixtrans-65.8-45.9171.6-75.5-177.4-15.500111.2H179 R180 E181 A186 L191H179-Q183 PolarHBondContact CE1-NE2 3.08Å; H179-Q183 WeakPolarHBondContact O-CG 3.42Å; H179-Q183 PolarHBondContact O-N 2.79Å; R180-Q183 PolarHBondContact O-N 2.87Å; E181-Q183 VanDerWaalsContact C-N 3.26Å; E181-Q183 PolarHBondContact O-N 2.78Å; Q183-A186 PolarHBondContact O-N 3.11Å; Q183-L191 HydrophobicContact CB-CD2 4.4Å; Q183-L191 HydrophobicContact CG-CD1 4.36Å; Q183-L191 HydrophobicContact CG-CD2 3.55Å
184Y95.2Very high93.9Very high87 Ų8744.1 Ų44.134%0.34122%0.217SC..Hα-helixtrans-60.9-48.3177.2176.6-92.8000112M129 R152 R180 E181 A186M129-Y184 WeakPolarHBondContact CE-O 3.21Å; M129-Y184 HydrophobicContact SD-CD1 4.25Å; M129-Y184 HydrophobicContact SD-CE1 3.7Å; R152-Y184 HydrophobicContact CG-CD1 3.76Å; R152-Y184 HydrophobicContact CG-CE1 3.43Å; R152-Y184 VanDerWaalsContact CG-CE1 3.43Å; R152-Y184 HydrophobicContact CG-CG 4.44Å; R180-Y184 PolarHBondContact O-N 2.94Å; R180-Y184 VanDerWaalsContact O-N 3.08Å; E181-Y184 WeakPolarHBondContact O-CB 3.17Å; E181-Y184 PolarHBondContact O-N 3.28Å; E181-Y184 VanDerWaalsContact O-N 3.11Å; Y184-A186 PolarHBondContact O-N 2.89Å
185Y95.6Very high93.7Very high0 Ų043.2 Ų43.20%022%0.217CC..THydrogen-bonded Turntrans-77.6-0.8179.2-63.5-62.2000114.1M129 L130 I150 R152 F157 I160 E181 I187M129-Y185 WeakPolarHBondContact CB-O 3.4Å; M129-Y185 PolarHBondContact N-O 2.85Å; L130-Y185 HydrophobicContact CD1-CD1 4.2Å; L130-Y185 HydrophobicContact CD1-CG 4.26Å; L130-Y185 HydrophobicContact CD2-CD1 3.72Å; L130-Y185 HydrophobicContact CD2-CE1 3.87Å; L130-Y185 HydrophobicContact CG-CD1 3.78Å; L130-Y185 HydrophobicContact CG-CE1 4.42Å; L130-Y185 HydrophobicContact CG-CG 4.24Å; I150-Y185 HydrophobicContact CG2-CE1 4.21Å; R152-Y185 WeakPolarHBondContact CB-OH 3.41Å; F157-Y185 AromaticContact CD2-CE2 3.64Å; F157-Y185 HydrophobicContact CD2-CE2 3.64Å; F157-Y185 AromaticContact CD2-CZ 3.61Å; F157-Y185 WeakPolarHBondContact CD2-OH 3.44Å; F157-Y185 HydrophobicContact CE2-CE1 4.08Å; F157-Y185 AromaticContact CE2-CE2 3.85Å; F157-Y185 HydrophobicContact CE2-CE2 3.85Å; F157-Y185 AromaticContact CE2-CZ 3.58Å; I160-Y185 HydrophobicContact CG1-CD2 4.37Å; I160-Y185 HydrophobicContact CG2-CD2 4.33Å; E181-Y185 HydrophobicContact CB-CD2 4.21Å; E181-Y185 HydrophobicContact CB-CE2 4.09Å; E181-Y185 WeakPolarHBondContact O-CD2 3.48Å; E181-Y185 PolarHBondContact O-N 3.25Å; Y185-I187 PolarHBondContact O-N 3.4Å
186A95.6Very high93.4Very high47 Ų4749.6 Ų49.639%0.38825%0.251SS..THydrogen-bonded Turntrans52.646.1-177.500000113.8A182 Q183 Y184 G188A182-A186 WeakPolarHBondContact O-CA 3.47Å; A182-A186 PolarHBondContact O-N 3.06Å; Q183-A186 PolarHBondContact O-N 3.11Å; Y184-A186 PolarHBondContact O-N 2.89Å; A186-G188 PolarHBondContact O-N 3.28Å
187I95.9Very high93.2Very high0 Ų045.7 Ų45.70%024%0.239CC..  trans-90.580.1-178.4-50.5176.3000109.7T128 L130 I160 F163 L164 A182 Y185 L190 L191T128-I187 HydrophobicContact CG2-CB 4.35Å; T128-I187 HydrophobicContact CG2-CG1 4Å; T128-I187 HydrophobicContact CG2-CG2 4.38Å; L130-I187 HydrophobicContact CD1-CD1 4.43Å; I160-I187 HydrophobicContact CD1-CD1 4.45Å; I160-I187 HydrophobicContact CG2-CD1 3.5Å; F163-I187 HydrophobicContact CD1-CG2 4.16Å; F163-I187 HydrophobicContact CE1-CG2 3.95Å; L164-I187 HydrophobicContact CD2-CD1 4.47Å; A182-I187 PolarHBondContact O-N 3.45Å; Y185-I187 PolarHBondContact O-N 3.4Å; I187-L190 HydrophobicContact CB-CB 4.07Å; I187-L190 HydrophobicContact CG2-CB 3.61Å; I187-L190 WeakPolarHBondContact O-CB 3.3Å; I187-L190 PolarHBondContact O-N 3.23Å; I187-L191 PolarHBondContact O-N 3.36Å
188G94Very high92.8Very high23 Ų2349.9 Ų49.924%0.23726%0.256CS..Hα-helixtrans-45.7-55.7-177.900000114.4A186 L190 L191 D192A186-G188 PolarHBondContact O-N 3.28Å; G188-L190 PolarHBondContact O-N 2.95Å; G188-L190 VanDerWaalsContact O-N 3.14Å; G188-L191 WeakPolarHBondContact O-CB 3.33Å; G188-L191 PolarHBondContact O-N 3.27Å; G188-D192 PolarHBondContact O-N 3.06Å
189P93.6Very high92.3Very high40 Ų4051.9 Ų51.926%0.2627%0.269SS..Hα-helixtrans-60.8-26.9-179.2-27.136.6000114.9Y125 F163 S193Y125-P189 HydrophobicContact CD1-CG 3.96Å; Y125-P189 HydrophobicContact CE1-CB 4.27Å; Y125-P189 HydrophobicContact CE1-CG 3.82Å; F163-P189 HydrophobicContact CE1-CB 4.34Å; F163-P189 HydrophobicContact CZ-CB 4.04Å; P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.35Å; P189-S193 PolarHBondContact O-OG 3.3Å
190L93.7Very high91.7Very high1 Ų151.5 Ų51.51%0.00527%0.268CS..Hα-helixtrans-77.9-40.8174.1178.555.3000110.7I160 F163 L169 V178 A182 I187 G188 S193 L194I160-L190 HydrophobicContact CD1-CD2 3.6Å; F163-L190 HydrophobicContact CB-CD1 4.26Å; F163-L190 HydrophobicContact CB-CD2 4.26Å; F163-L190 HydrophobicContact CD1-CB 3.78Å; F163-L190 HydrophobicContact CD1-CD1 4.33Å; F163-L190 HydrophobicContact CD1-CD2 4.2Å; F163-L190 HydrophobicContact CD1-CG 4.32Å; F163-L190 HydrophobicContact CD2-CB 4.37Å; F163-L190 HydrophobicContact CD2-CD1 3.63Å; F163-L190 HydrophobicContact CD2-CG 4.46Å; F163-L190 HydrophobicContact CE1-CB 3.63Å; F163-L190 HydrophobicContact CE2-CB 4.22Å; F163-L190 HydrophobicContact CE2-CD1 4Å; F163-L190 HydrophobicContact CG-CB 4.15Å; F163-L190 HydrophobicContact CG-CD1 3.8Å; F163-L190 HydrophobicContact CG-CD2 4.16Å; F163-L190 HydrophobicContact CG-CG 4.25Å; F163-L190 HydrophobicContact CZ-CB 3.86Å; L169-L190 HydrophobicContact CD2-CD1 3.85Å; V178-L190 HydrophobicContact CG1-CD2 4.38Å; A182-L190 HydrophobicContact CB-CB 4.41Å; A182-L190 HydrophobicContact CB-CD2 3.7Å; A182-L190 HydrophobicContact CB-CG 3.91Å; I187-L190 HydrophobicContact CB-CB 4.07Å; I187-L190 HydrophobicContact CG2-CB 3.61Å; I187-L190 WeakPolarHBondContact O-CB 3.3Å; I187-L190 PolarHBondContact O-N 3.23Å; G188-L190 PolarHBondContact O-N 2.95Å; G188-L190 VanDerWaalsContact O-N 3.14Å; L190-S193 PolarHBondContact O-N 3.36Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CD2 4.23Å; L190-L194 HydrophobicContact CD1-CG 3.75Å; L190-L194 HydrophobicContact CD2-CD1 4.47Å; L190-L194 HydrophobicContact CG-CD1 3.76Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.05Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.29Å
191L94.1Very high91.2Very high31 Ų3145.5 Ų45.516%0.16225%0.25CC..Hα-helixtrans-59-50.6175.9-67.7171.2000111.3A182 Q183 I187 G188 S193 L194 E195A182-L191 HydrophobicContact CB-CD2 3.66Å; A182-L191 HydrophobicContact CB-CG 4.11Å; Q183-L191 HydrophobicContact CB-CD2 4.4Å; Q183-L191 HydrophobicContact CG-CD1 4.36Å; Q183-L191 HydrophobicContact CG-CD2 3.55Å; I187-L191 PolarHBondContact O-N 3.36Å; G188-L191 WeakPolarHBondContact O-CB 3.33Å; G188-L191 PolarHBondContact O-N 3.27Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.46Å; L191-L194 PolarHBondContact O-N 2.7Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 WeakPolarHBondContact O-CG 3.36Å; L191-E195 PolarHBondContact O-N 3.01Å
192D92.3Very high90.6Very high107 Ų10746.8 Ų46.857%0.57227%0.266SS*.Hα-helixtrans-54.3-45.8176.6-62.8-25.6000111.1G188 E195G188-D192 PolarHBondContact O-N 3.06Å; D192-E195 PolarHBondContact O-N 2.97Å
193S92.3Very high90.1Very high44 Ų4449.6 Ų49.631%0.30828%0.28SS..Hα-helixtrans-68.4-35.9179.9-56.40000113.5P189 L190 L191 T197P189-S193 WeakPolarHBondContact O-CB 3.49Å; P189-S193 PolarHBondContact O-N 3.35Å; P189-S193 PolarHBondContact O-OG 3.3Å; L190-S193 PolarHBondContact O-N 3.36Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.46Å; S193-T197 PolarHBondContact O-OG1 2.89Å
194L91.9Very high89.7Confident0 Ų049 Ų490%028%0.275CS..Hα-helixtrans-75.2-32.8177.9-70.1175.1000112P170 V175 V178 H179 A182 L190 L191 D196 T197 L200P170-L194 HydrophobicContact CG-CD2 3.58Å; V175-L194 HydrophobicContact CG1-CD2 4.25Å; V175-L194 HydrophobicContact CG2-CD2 4.33Å; V178-L194 HydrophobicContact CG1-CD1 4.24Å; H179-L194 HydrophobicContact CB-CD1 3.96Å; A182-L194 HydrophobicContact CB-CD1 4.31Å; L190-L194 HydrophobicContact CD1-CD1 3.78Å; L190-L194 HydrophobicContact CD1-CD2 4.23Å; L190-L194 HydrophobicContact CD1-CG 3.75Å; L190-L194 HydrophobicContact CD2-CD1 4.47Å; L190-L194 HydrophobicContact CG-CD1 3.76Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.05Å; L190-L194 WeakPolarHBondContact O-CG 3.49Å; L190-L194 PolarHBondContact O-N 3.29Å; L191-L194 PolarHBondContact O-N 2.7Å; L191-L194 VanDerWaalsContact O-N 3.15Å; L194-D196 PolarHBondContact O-N 2.74Å; L194-T197 WeakPolarHBondContact O-CA 3.42Å; L194-T197 WeakPolarHBondContact O-CB 3.37Å; L194-T197 PolarHBondContact O-N 2.98Å; L194-L200 HydrophobicContact CB-CD1 4.21Å
195E87.8Confident89.3Confident73 Ų7349.8 Ų49.834%0.34129%0.289SS..Hα-helixtrans-62.6-30.7177.5-87.3-165.9-155.400113.2L191 D192 T201 K204L191-E195 WeakPolarHBondContact O-CB 3.35Å; L191-E195 WeakPolarHBondContact O-CG 3.36Å; L191-E195 PolarHBondContact O-N 3.01Å; D192-E195 PolarHBondContact O-N 2.97Å; E195-T201 PolarHBondContact O-OG1 2.87Å; E195-K204 IonicContact OE2-NZ 2.79Å; E195-K204 PolarHBondContact OE2-NZ 3.39Å
196D86.8Confident89Confident133 Ų13352.2 Ų52.271%0.71130%0.298SS*.THydrogen-bonded Turntrans-90.84.6172.6-72.3-18.5000113.4L194 T201L194-D196 PolarHBondContact O-N 2.74Å; D196-T201 WeakPolarHBondContact CA-OG1 3.42Å; D196-T201 PolarHBondContact O-OG1 2.88Å
197T86.3Confident88.7Confident31 Ų3153.7 Ų53.719%0.1930%0.297CS..SBendtrans-104.9139.9178.4-61.30000112.1V175 S193 L194 L200 T201V175-T197 HydrophobicContact CG2-CG2 3.84Å; S193-T197 PolarHBondContact O-OG1 2.89Å; L194-T197 WeakPolarHBondContact O-CA 3.42Å; L194-T197 WeakPolarHBondContact O-CB 3.37Å; L194-T197 PolarHBondContact O-N 2.98Å; T197-L200 PolarHBondContact O-N 2.74Å; T197-T201 PolarHBondContact N-OG1 2.91Å; T197-T201 PolarHBondContact O-N 3.11Å; T197-T201 PolarHBondContact O-OG1 3.35Å
198Q84.5Confident88.4Confident114 Ų11456.4 Ų56.453%0.53332%0.32SS..THydrogen-bonded Turntrans-71.4136.8173.4-67.4-165.421.500111.8
199P83.8Confident88.2Confident42 Ų4256.3 Ų56.327%0.27331%0.312SS..THydrogen-bonded Turncis-90.2-11.317.834.2-37.1000116.4R176 T201 G202 E203R176-P199 HydrophobicContact CG-CG 3.86Å; P199-T201 PolarHBondContact O-N 2.62Å; P199-G202 WeakPolarHBondContact O-CA 3.4Å; P199-G202 PolarHBondContact O-N 3.3Å; P199-E203 PolarHBondContact O-N 3.5Å
200L81.4Confident88Confident19 Ų1954.9 Ų54.910%0.09930%0.303CS..Hα-helixtrans-59.9-40.1-169.3-63.5174.3000113.3V175 R176 H179 L194 T197 G202 E203 K204V175-L200 HydrophobicContact CG1-CD1 3.73Å; V175-L200 HydrophobicContact CG1-CG 3.87Å; R176-L200 HydrophobicContact CG-CD2 4.4Å; H179-L200 HydrophobicContact CB-CD1 3.82Å; L194-L200 HydrophobicContact CB-CD1 4.21Å; T197-L200 PolarHBondContact O-N 2.74Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 3.15Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.32Å; L200-K204 PolarHBondContact O-N 3.13Å
201T84Confident87.8Confident42 Ų4260.1 Ų60.126%0.25833%0.331SS..Hα-helixtrans-62.7-37175-36.60000112.3E195 D196 T197 P199 K204 V205E195-T201 PolarHBondContact O-OG1 2.87Å; D196-T201 WeakPolarHBondContact CA-OG1 3.42Å; D196-T201 PolarHBondContact O-OG1 2.88Å; T197-T201 PolarHBondContact N-OG1 2.91Å; T197-T201 PolarHBondContact O-N 3.11Å; T197-T201 PolarHBondContact O-OG1 3.35Å; P199-T201 PolarHBondContact O-N 2.62Å; T201-K204 PolarHBondContact O-N 3.28Å; T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.43Å; T201-V205 VanDerWaalsContact O-N 3.13Å
202G83.3Confident87.6Confident39 Ų3963.1 Ų63.140%0.40235%0.346SS..Hα-helixtrans-68.7-37.7175.500000112.2P199 L200 V205 R206P199-G202 WeakPolarHBondContact O-CA 3.4Å; P199-G202 PolarHBondContact O-N 3.3Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 3.15Å; G202-V205 PolarHBondContact O-N 2.66Å; G202-R206 VanDerWaalsContact O-CB 3.27Å; G202-R206 WeakPolarHBondContact O-CB 3.5Å; G202-R206 PolarHBondContact O-N 3.26Å
203E85.6Confident87.3Confident60 Ų6058.5 Ų58.528%0.2832%0.322SS..Hα-helixtrans-63.3-41.1173.2-69.7164.9-149.500111.9R176 P199 L200 R206 Q207R176-E203 IonicContact CZ-OE1 2.62Å; R176-E203 IonicContact NE-OE1 3.57Å; R176-E203 PolarHBondContact NE-OE1 3.42Å; R176-E203 IonicContact NH2-OE1 3.34Å; R176-E203 PolarHBondContact NH2-OE1 3.04Å; P199-E203 PolarHBondContact O-N 3.5Å; L200-E203 WeakPolarHBondContact O-CB 3.49Å; L200-E203 PolarHBondContact O-N 3.32Å; E203-R206 PolarHBondContact O-N 2.72Å; E203-Q207 WeakPolarHBondContact O-CB 3.45Å; E203-Q207 PolarHBondContact O-N 3.44Å
204K85.4Confident87Confident95 Ų9559.2 Ų59.241%0.41333%0.325SS..Hα-helixtrans-60.6-48173.6-72.2177.1174.7-176.80112.5E195 L200 T201 R206 Q207 A208E195-K204 IonicContact OE2-NZ 2.79Å; E195-K204 PolarHBondContact OE2-NZ 3.39Å; L200-K204 PolarHBondContact O-N 3.13Å; T201-K204 PolarHBondContact O-N 3.28Å; K204-R206 VanDerWaalsContact C-N 3.34Å; K204-Q207 PolarHBondContact O-N 2.91Å; K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 2.95Å
205V87.7Confident86.8Confident104 Ų10467.3 Ų67.363%0.6336%0.357SS*.Hα-helixtrans-62.4-43.4178.1172.30000110.8T201 G202 A208 F209T201-V205 WeakPolarHBondContact O-CG2 3.46Å; T201-V205 PolarHBondContact O-N 3.43Å; T201-V205 VanDerWaalsContact O-N 3.13Å; G202-V205 PolarHBondContact O-N 2.66Å; V205-A208 PolarHBondContact O-N 3.02Å; V205-F209 PolarHBondContact O-N 3.49Å; V205-F209 VanDerWaalsContact O-N 3.15Å
206R89.6Confident87Confident51 Ų5164.5 Ų64.519%0.19234%0.343CS..Hα-helixtrans-60.9-46.3174.6175.8179.4168.4-116.3-9.9111.8G202 E203 K204 A208 F209 L210 D304G202-R206 VanDerWaalsContact O-CB 3.27Å; G202-R206 WeakPolarHBondContact O-CB 3.5Å; G202-R206 PolarHBondContact O-N 3.26Å; E203-R206 PolarHBondContact O-N 2.72Å; K204-R206 VanDerWaalsContact C-N 3.34Å; R206-A208 PolarHBondContact O-N 3.29Å; R206-F209 WeakPolarHBondContact O-CB 3.41Å; R206-F209 PolarHBondContact O-N 2.91Å; R206-L210 HydrophobicContact CG-CD1 4.21Å; R206-L210 HydrophobicContact CG-CG 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.27Å; R206-L210 PolarHBondContact O-N 2.9Å; R206-D304 IonicContact CZ-OD1 3.65Å; R206-D304 IonicContact NH1-OD1 2.69Å; R206-D304 IonicContact NH2-OD1 3.59Å; R206-D304 PolarHBondContact NH2-OD1 2.86Å; R206-D304 IonicContact NH2-OD2 3.85Å; R206-D304 PolarHBondContact NH2-OD2 3.49Å
207Q88.8Confident87.3Confident78 Ų7864.5 Ų64.536%0.36434%0.337SS..Hα-helixtrans-63.3-43.6179.9-17258.951.400111.2E203 K204 F209 L210 D211E203-Q207 WeakPolarHBondContact O-CB 3.45Å; E203-Q207 PolarHBondContact O-N 3.44Å; K204-Q207 PolarHBondContact O-N 2.91Å; Q207-F209 PolarHBondContact O-N 2.96Å; Q207-L210 PolarHBondContact O-N 2.99Å; Q207-D211 PolarHBondContact NE2-OD1 3.44Å; Q207-D211 VanDerWaalsContact O-CG 3.23Å; Q207-D211 PolarHBondContact O-N 3.43Å
208A89.2Confident87.6Confident58 Ų5867.5 Ų67.548%0.47935%0.352SS..Hα-helixtrans-60.3-30.8175.600000113.1K204 V205 R206 L212K204-A208 WeakPolarHBondContact O-CB 3.38Å; K204-A208 PolarHBondContact O-N 2.95Å; V205-A208 PolarHBondContact O-N 3.02Å; R206-A208 PolarHBondContact O-N 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.36Å
209F90.5Very high88Confident20 Ų2063.2 Ų63.29%0.08833%0.333CS..Hα-helixtrans-72.4-45.2169.7167.9-128.9000112.4V205 R206 Q207 D211 L212 L213 W288 A290 A292 D296 L297V205-F209 PolarHBondContact O-N 3.49Å; V205-F209 VanDerWaalsContact O-N 3.15Å; R206-F209 WeakPolarHBondContact O-CB 3.41Å; R206-F209 PolarHBondContact O-N 2.91Å; Q207-F209 PolarHBondContact O-N 2.96Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 2.81Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; F209-L212 VanDerWaalsContact O-N 3.11Å; F209-L213 HydrophobicContact CD2-CD1 4.4Å; F209-L213 HydrophobicContact CE1-CD1 4.03Å; F209-L213 HydrophobicContact CE2-CD1 3.85Å; F209-L213 HydrophobicContact CE2-CG 4.33Å; F209-L213 HydrophobicContact CZ-CD1 3.66Å; F209-W288 AromaticContact CE2-CD1 3.76Å; F209-W288 HydrophobicContact CE2-CG 4.39Å; F209-W288 AromaticContact CE2-NE1 3.68Å; F209-A290 HydrophobicContact CD2-CB 3.84Å; F209-A290 HydrophobicContact CE2-CB 4.04Å; F209-A292 HydrophobicContact CD1-CB 4.13Å; F209-A292 HydrophobicContact CD2-CB 3.71Å; F209-A292 HydrophobicContact CE1-CB 4.01Å; F209-A292 HydrophobicContact CE2-CB 3.61Å; F209-A292 HydrophobicContact CG-CB 3.97Å; F209-A292 HydrophobicContact CZ-CB 3.74Å; F209-D296 HydrophobicContact CE1-CB 4.3Å; F209-L297 HydrophobicContact CE1-CB 4.23Å; F209-L297 HydrophobicContact CE1-CD1 4.43Å; F209-L297 HydrophobicContact CZ-CB 4.09Å
210L90.4Very high88.5Confident11 Ų1161.4 Ų61.46%0.05832%0.321CS..Hα-helixtrans-64.2-30.2179.1-67.2-178.3000113.3R206 Q207 L212 L213 Y216 L297 C300R206-L210 HydrophobicContact CG-CD1 4.21Å; R206-L210 HydrophobicContact CG-CG 4.45Å; R206-L210 WeakPolarHBondContact O-CG 3.27Å; R206-L210 PolarHBondContact O-N 2.9Å; Q207-L210 PolarHBondContact O-N 2.99Å; L210-L212 PolarHBondContact O-N 2.82Å; L210-L213 HydrophobicContact CD2-CD1 3.93Å; L210-L213 PolarHBondContact O-N 2.95Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L210-Y216 HydrophobicContact CB-CD1 4.49Å; L210-Y216 HydrophobicContact CD1-CD1 4.31Å; L210-Y216 HydrophobicContact CD1-CE1 3.78Å; L210-Y216 HydrophobicContact CD2-CD1 3.96Å; L210-Y216 HydrophobicContact CD2-CD2 3.91Å; L210-Y216 HydrophobicContact CD2-CE1 3.69Å; L210-Y216 HydrophobicContact CD2-CE2 3.64Å; L210-Y216 HydrophobicContact CD2-CG 4.07Å; L210-Y216 HydrophobicContact CG-CD1 4.48Å; L210-Y216 HydrophobicContact CG-CE1 4.26Å; L210-L297 HydrophobicContact CD2-CD1 4.48Å; L210-C300 HydrophobicContact CD2-CB 4Å
211D89.1Confident89.1Confident110 Ų11065.2 Ų65.259%0.58834%0.338SS*.THydrogen-bonded Turntrans-70.1-16.2176-66.8-24000113.1Q207 F209Q207-D211 PolarHBondContact NE2-OD1 3.44Å; Q207-D211 VanDerWaalsContact O-CG 3.23Å; Q207-D211 PolarHBondContact O-N 3.43Å; F209-D211 VanDerWaalsContact C-N 3.27Å; F209-D211 PolarHBondContact O-N 2.81Å
212L88.8Confident89.6Confident94 Ų9469.4 Ų69.449%0.49235%0.349SS..THydrogen-bonded Turntrans-86.1-8.9172.3-61.3169.4000113.1A208 F209 L210 A290A208-L212 WeakPolarHBondContact O-CG 3.36Å; F209-L212 WeakPolarHBondContact O-CB 3.43Å; F209-L212 PolarHBondContact O-N 3.22Å; F209-L212 VanDerWaalsContact O-N 3.11Å; L210-L212 PolarHBondContact O-N 2.82Å; L212-A290 HydrophobicContact CD1-CB 3.96Å
213L87.5Confident90.1Very high10 Ų1067.5 Ų67.55%0.05233%0.33CS..SBendtrans-95.5114.5-175.4-82157.2000111.6F209 L210 Y215 Y216 W288 L297F209-L213 HydrophobicContact CD2-CD1 4.4Å; F209-L213 HydrophobicContact CE1-CD1 4.03Å; F209-L213 HydrophobicContact CE2-CD1 3.85Å; F209-L213 HydrophobicContact CE2-CG 4.33Å; F209-L213 HydrophobicContact CZ-CD1 3.66Å; L210-L213 HydrophobicContact CD2-CD1 3.93Å; L210-L213 PolarHBondContact O-N 2.95Å; L210-L213 VanDerWaalsContact O-N 3.14Å; L213-Y215 PolarHBondContact O-N 3.45Å; L213-Y216 HydrophobicContact CD1-CD2 4.24Å; L213-Y216 PolarHBondContact O-N 3.45Å; L213-W288 HydrophobicContact CD2-CB 3.72Å; L213-W288 HydrophobicContact CD2-CD2 3.79Å; L213-W288 HydrophobicContact CD2-CE3 3.61Å; L213-W288 HydrophobicContact CD2-CG 3.86Å; L213-W288 HydrophobicContact CD2-CZ3 4.43Å; L213-W288 HydrophobicContact CG-CB 4.28Å; L213-L297 HydrophobicContact CD1-CD1 3.5Å; L213-L297 HydrophobicContact CD1-CD2 4.1Å; L213-L297 HydrophobicContact CD1-CG 4.39Å; L213-L297 HydrophobicContact CD2-CD2 3.8Å
214P85.7Confident90.5Very high60 Ų6065.4 Ų65.439%0.3932%0.321SS..THydrogen-bonded Turntrans-63.5135.3178.827.3-34.3000110.8Y216P214-Y216 PolarHBondContact O-N 3.05Å; P214-Y216 VanDerWaalsContact O-N 3.12Å
215Y87.8Confident90.9Very high169 Ų16966.2 Ų66.266%0.66333%0.326SS*.THydrogen-bonded Turntrans56.722.7176.7-47.6-73.6000115.4L213 K217 D218 N219L213-Y215 PolarHBondContact O-N 3.45Å; Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 2.81Å; Y215-D218 WeakPolarHBondContact CD1-OD2 3.36Å; Y215-D218 PolarHBondContact O-N 3.19Å; Y215-N219 VanDerWaalsContact O-CB 3.24Å; Y215-N219 WeakPolarHBondContact O-CB 3.46Å; Y215-N219 VanDerWaalsContact O-CG 3.31Å; Y215-N219 PolarHBondContact O-N 3.33Å; Y215-N219 PolarHBondContact O-ND2 2.8Å
216Y91.9Very high91.2Very high14 Ų1462.4 Ų62.46%0.05530%0.302CS..Hα-helixtrans-53.9-47-176.5-179.8-99.8000113.3L210 L213 P214 L220 F285 L297 C300 I301 D304L210-Y216 HydrophobicContact CB-CD1 4.49Å; L210-Y216 HydrophobicContact CD1-CD1 4.31Å; L210-Y216 HydrophobicContact CD1-CE1 3.78Å; L210-Y216 HydrophobicContact CD2-CD1 3.96Å; L210-Y216 HydrophobicContact CD2-CD2 3.91Å; L210-Y216 HydrophobicContact CD2-CE1 3.69Å; L210-Y216 HydrophobicContact CD2-CE2 3.64Å; L210-Y216 HydrophobicContact CD2-CG 4.07Å; L210-Y216 HydrophobicContact CG-CD1 4.48Å; L210-Y216 HydrophobicContact CG-CE1 4.26Å; L213-Y216 HydrophobicContact CD1-CD2 4.24Å; L213-Y216 PolarHBondContact O-N 3.45Å; P214-Y216 PolarHBondContact O-N 3.05Å; P214-Y216 VanDerWaalsContact O-N 3.12Å; Y216-L220 HydrophobicContact CE1-CD2 4.36Å; Y216-L220 WeakPolarHBondContact O-CB 3.36Å; Y216-L220 PolarHBondContact O-N 2.68Å; Y216-F285 AromaticContact CD2-CD1 3.97Å; Y216-F285 HydrophobicContact CD2-CD1 3.97Å; Y216-F285 AromaticContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CE2-CD1 4.45Å; Y216-F285 AromaticContact CE2-CE1 3.93Å; Y216-F285 HydrophobicContact CE2-CE1 3.93Å; Y216-L297 HydrophobicContact CD2-CD1 4.02Å; Y216-L297 HydrophobicContact CE2-CD1 3.59Å; Y216-C300 PolarHBondContact OH-O 3.36Å; Y216-I301 HydrophobicContact CE2-CG1 3.88Å; Y216-I301 PolarHBondContact OH-N 2.89Å; Y216-D304 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D304 WeakPolarHBondContact CE1-OD2 3.24Å; Y216-D304 VanDerWaalsContact CZ-OD2 3.32Å; Y216-D304 PolarHBondContact OH-OD2 2.87Å
217K91.6Very high91.4Very high133 Ų13360 Ų6058%0.57829%0.293SS*.Hα-helixtrans-65.5-48.3-179.3-66.2179.2-178.8172.80111.6Y215 N219 L220 E221Y215-K217 VanDerWaalsContact C-N 3.34Å; Y215-K217 PolarHBondContact O-N 2.81Å; K217-N219 VanDerWaalsContact C-N 3.34Å; K217-N219 PolarHBondContact O-N 2.84Å; K217-L220 WeakPolarHBondContact O-CB 3.45Å; K217-L220 PolarHBondContact O-N 2.86Å; K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 3.27Å
218D92.5Very high91.6Very high94 Ų9461.2 Ų61.250%0.50330%0.297SS..Hα-helixtrans-63.1-41.4-180-44.7-27.7000111.3Y215 E221 R222Y215-D218 WeakPolarHBondContact CD1-OD2 3.36Å; Y215-D218 PolarHBondContact O-N 3.19Å; D218-E221 PolarHBondContact O-N 3.23Å; D218-R222 VanDerWaalsContact O-CB 3.31Å; D218-R222 WeakPolarHBondContact O-CB 3.36Å; D218-R222 PolarHBondContact O-N 3.5Å
219N93.8Very high91.8Very high25 Ų2563.2 Ų63.213%0.13430%0.299CS..Hα-helixtrans-63.2-42.5174.4-79.2-35.1000111.8Y215 K217 R222 I223 V283 S284 F285Y215-N219 VanDerWaalsContact O-CB 3.24Å; Y215-N219 WeakPolarHBondContact O-CB 3.46Å; Y215-N219 VanDerWaalsContact O-CG 3.31Å; Y215-N219 PolarHBondContact O-N 3.33Å; Y215-N219 PolarHBondContact O-ND2 2.8Å; K217-N219 VanDerWaalsContact C-N 3.34Å; K217-N219 PolarHBondContact O-N 2.84Å; N219-R222 PolarHBondContact O-N 3.36Å; N219-I223 WeakPolarHBondContact O-CG1 3.35Å; N219-I223 PolarHBondContact O-N 3.24Å; N219-V283 HydrophobicContact CB-CG1 3.66Å; N219-S284 PolarHBondContact ND2-O 3.32Å; N219-F285 HydrophobicContact CB-CD1 4.26Å; N219-F285 HydrophobicContact CB-CE1 3.55Å; N219-F285 HydrophobicContact CB-CE2 4.39Å; N219-F285 HydrophobicContact CB-CZ 3.63Å
220L94Very high92Very high4 Ų465.3 Ų65.32%0.02131%0.307CS..Hα-helixtrans-65.2-38.8176.2-18068.7000112.3Y216 K217 I223 V224 I301 D304 L305Y216-L220 HydrophobicContact CE1-CD2 4.36Å; Y216-L220 WeakPolarHBondContact O-CB 3.36Å; Y216-L220 PolarHBondContact O-N 2.68Å; K217-L220 WeakPolarHBondContact O-CB 3.45Å; K217-L220 PolarHBondContact O-N 2.86Å; L220-I223 WeakPolarHBondContact O-CB 3.46Å; L220-I223 PolarHBondContact O-N 3.09Å; L220-V224 WeakPolarHBondContact O-CG2 3.36Å; L220-V224 PolarHBondContact O-N 2.97Å; L220-I301 HydrophobicContact CD1-CG2 4.36Å; L220-D304 HydrophobicContact CD1-CB 4.16Å; L220-D304 HydrophobicContact CD2-CB 3.59Å; L220-L305 HydrophobicContact CD1-CD2 3.94Å; L220-L305 HydrophobicContact CD1-CG 4.03Å
221E93.9Very high92.1Very high99 Ų9965 Ų6546%0.46331%0.306SS..Hα-helixtrans-65.2-44.2173-72.8176.5-172.500111.3K217 D218 I223 V224 E225K217-E221 WeakPolarHBondContact O-CG 3.28Å; K217-E221 PolarHBondContact O-N 3.27Å; D218-E221 PolarHBondContact O-N 3.23Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 3.27Å; E221-V224 WeakPolarHBondContact O-CA 3.09Å; E221-V224 WeakPolarHBondContact O-CB 3.49Å; E221-V224 PolarHBondContact O-N 3.49Å; E221-E225 WeakPolarHBondContact O-CG 3.3Å; E221-E225 PolarHBondContact O-N 2.83Å
222R94.5Very high92.2Very high129 Ų12966.8 Ų66.849%0.48731%0.312SS..Hα-helixtrans-59.8-37.6175.1-173.9173.4-178.979.8-2.3113.3D218 N219 E225 I226 D282 V283D218-R222 VanDerWaalsContact O-CB 3.31Å; D218-R222 WeakPolarHBondContact O-CB 3.36Å; D218-R222 PolarHBondContact O-N 3.5Å; N219-R222 PolarHBondContact O-N 3.36Å; R222-E225 PolarHBondContact O-N 2.96Å; R222-I226 HydrophobicContact CG-CD1 3.78Å; R222-I226 HydrophobicContact CG-CG1 4.39Å; R222-I226 WeakPolarHBondContact O-CB 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.27Å; R222-I226 PolarHBondContact O-N 2.85Å; R222-D282 PolarHBondContact NE-O 2.88Å; R222-V283 HydrophobicContact CB-CG2 4.27Å; R222-V283 HydrophobicContact CG-CG2 3.93Å
223I94.1Very high92.4Very high0 Ų069.4 Ų69.40%032%0.322CS..Hα-helixtrans-56.4-51170.4-71.1169.1000110.2N219 L220 E221 E225 A227 L241 I243 V283 F285 I301 L305 I339N219-I223 WeakPolarHBondContact O-CG1 3.35Å; N219-I223 PolarHBondContact O-N 3.24Å; L220-I223 WeakPolarHBondContact O-CB 3.46Å; L220-I223 PolarHBondContact O-N 3.09Å; E221-I223 VanDerWaalsContact C-N 3.33Å; E221-I223 PolarHBondContact O-N 3.27Å; I223-E225 PolarHBondContact O-N 2.97Å; I223-A227 WeakPolarHBondContact O-CB 3.28Å; I223-A227 PolarHBondContact O-N 3.21Å; I223-L241 HydrophobicContact CG2-CD2 4.25Å; I223-I243 HydrophobicContact CD1-CD1 3.51Å; I223-I243 HydrophobicContact CG1-CD1 3.75Å; I223-V283 HydrophobicContact CG1-CB 4.26Å; I223-V283 HydrophobicContact CG1-CG1 4.28Å; I223-V283 HydrophobicContact CG1-CG2 3.89Å; I223-F285 HydrophobicContact CD1-CE2 3.9Å; I223-F285 HydrophobicContact CD1-CZ 3.84Å; I223-I301 HydrophobicContact CD1-CG2 4.01Å; I223-L305 HydrophobicContact CG2-CD1 4.31Å; I223-L305 HydrophobicContact CG2-CD2 4.38Å; I223-I339 HydrophobicContact CG2-CD1 3.27Å
224V93.9Very high92.6Very high15 Ų1577.3 Ų77.39%0.09135%0.351CS..Hα-helixtrans-62.6-43.1-177.9170.80000111.1L220 E221 A227 K228 L305 I310 W341L220-V224 WeakPolarHBondContact O-CG2 3.36Å; L220-V224 PolarHBondContact O-N 2.97Å; E221-V224 WeakPolarHBondContact O-CA 3.09Å; E221-V224 WeakPolarHBondContact O-CB 3.49Å; E221-V224 PolarHBondContact O-N 3.49Å; V224-A227 PolarHBondContact O-N 3.29Å; V224-K228 HydrophobicContact CG1-CD 4.26Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.39Å; V224-K228 PolarHBondContact O-N 2.97Å; V224-L305 HydrophobicContact CG2-CD2 3.63Å; V224-I310 HydrophobicContact CG1-CD1 4.19Å; V224-I310 HydrophobicContact CG2-CD1 3.91Å; V224-W341 HydrophobicContact CG1-CH2 4.18Å
225E94.2Very high92.9Very high113 Ų11383.8 Ų83.853%0.52837%0.373SS..Hα-helixtrans-63.1-51.9177.3-70.5-177.9162.200112.7E221 R222 I223 A227 K228 L229E221-E225 WeakPolarHBondContact O-CG 3.3Å; E221-E225 PolarHBondContact O-N 2.83Å; R222-E225 PolarHBondContact O-N 2.96Å; I223-E225 PolarHBondContact O-N 2.97Å; E225-A227 VanDerWaalsContact C-N 3.26Å; E225-A227 PolarHBondContact O-N 3.39Å; E225-K228 PolarHBondContact O-N 3.39Å; E225-L229 WeakPolarHBondContact O-CB 3.44Å; E225-L229 WeakPolarHBondContact O-CG 3.46Å; E225-L229 PolarHBondContact O-N 2.73Å
226I93.7Very high93.1Very high24 Ų2476.8 Ų76.812%0.12335%0.351CS..Hα-helixtrans-61.6-38.4179.5-66.8172.1000110.2R222 R230 L241 D282 V283R222-I226 HydrophobicContact CG-CD1 3.78Å; R222-I226 HydrophobicContact CG-CG1 4.39Å; R222-I226 WeakPolarHBondContact O-CB 3.48Å; R222-I226 VanDerWaalsContact O-CG1 3.28Å; R222-I226 WeakPolarHBondContact O-CG1 3.27Å; R222-I226 PolarHBondContact O-N 2.85Å; I226-R230 HydrophobicContact CG2-CG 4.45Å; I226-R230 WeakPolarHBondContact O-CB 3.48Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.2Å; I226-R230 PolarHBondContact O-N 3.4Å; I226-L241 HydrophobicContact CB-CD2 3.83Å; I226-L241 HydrophobicContact CG2-CD2 3.66Å; I226-L241 HydrophobicContact CG2-CG 3.97Å; I226-D282 HydrophobicContact CD1-CB 4.02Å; I226-V283 HydrophobicContact CD1-CG2 4.44Å
227A93.9Very high93Very high0 Ų082.8 Ų82.80%037%0.373CS..Hα-helixtrans-64.3-43.7175.100000112.9I223 V224 E225 A231 A239 L241 I339 W341I223-A227 WeakPolarHBondContact O-CB 3.28Å; I223-A227 PolarHBondContact O-N 3.21Å; V224-A227 PolarHBondContact O-N 3.29Å; E225-A227 VanDerWaalsContact C-N 3.26Å; E225-A227 PolarHBondContact O-N 3.39Å; A227-A231 VanDerWaalsContact O-CB 3.27Å; A227-A231 WeakPolarHBondContact O-CB 3.32Å; A227-A231 PolarHBondContact O-N 3.15Å; A227-A239 HydrophobicContact CB-CB 4.2Å; A227-A239 WeakPolarHBondContact O-CB 3.4Å; A227-L241 HydrophobicContact CB-CD1 3.87Å; A227-I339 HydrophobicContact CB-CB 4.1Å; A227-I339 HydrophobicContact CB-CD1 3.96Å; A227-I339 HydrophobicContact CB-CG2 3.83Å; A227-W341 HydrophobicContact CB-CZ2 3.77Å; A227-W341 PolarHBondContact O-NE1 3.21Å
228K92.6Very high93.1Very high104 Ų10480.9 Ų80.945%0.45237%0.365SS..Hα-helixtrans-61.6-52.2175.7-75.3176.5-178.1175.50110.8V224 E225 R230 A231 M232 W341V224-K228 HydrophobicContact CG1-CD 4.26Å; V224-K228 VanDerWaalsContact O-CG 3.31Å; V224-K228 WeakPolarHBondContact O-CG 3.39Å; V224-K228 PolarHBondContact O-N 2.97Å; E225-K228 PolarHBondContact O-N 3.39Å; K228-R230 PolarHBondContact O-N 3.18Å; K228-A231 PolarHBondContact O-N 3.46Å; K228-M232 WeakPolarHBondContact O-CB 3.24Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 2.97Å; K228-W341 HydrophobicContact CB-CZ2 4.18Å; K228-W341 HydrophobicContact CD-CH2 4.03Å; K228-W341 VanDerWaalsContact CE-CH2 3.5Å; K228-W341 HydrophobicContact CG-CH2 3.3Å; K228-W341 HydrophobicContact CG-CZ2 3.34Å; K228-W341 HydrophobicContact CG-CZ3 4.06Å
229L93.7Very high93.2Very high99 Ų9976.6 Ų76.652%0.51834%0.342SS..Hα-helixtrans-58.1-46.3-178.5-70.3167.5000111.6E225 Q233E225-L229 WeakPolarHBondContact O-CB 3.44Å; E225-L229 WeakPolarHBondContact O-CG 3.46Å; E225-L229 PolarHBondContact O-N 2.73Å; L229-Q233 VanDerWaalsContact O-CB 3.32Å; L229-Q233 WeakPolarHBondContact O-CB 3.4Å; L229-Q233 WeakPolarHBondContact O-CG 3.33Å; L229-Q233 PolarHBondContact O-N 3.31Å
230R94.4Very high93.2Very high64 Ų6479.5 Ų79.524%0.24235%0.354CS..Hα-helixtrans-66.5-41.2178.4-74.6179177.2167.99.5113.2I226 K228 R234 A239 K240 D282I226-R230 HydrophobicContact CG2-CG 4.45Å; I226-R230 WeakPolarHBondContact O-CB 3.48Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.2Å; I226-R230 PolarHBondContact O-N 3.4Å; K228-R230 PolarHBondContact O-N 3.18Å; R230-R234 WeakPolarHBondContact O-CB 3.32Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å; R230-R234 PolarHBondContact O-N 2.98Å; R230-A239 HydrophobicContact CB-CB 3.85Å; R230-K240 PolarHBondContact NH1-O 2.62Å; R230-D282 IonicContact CZ-OD1 2.7Å; R230-D282 IonicContact CZ-OD2 2.64Å; R230-D282 VanDerWaalsContact NH1-CG 3.31Å; R230-D282 IonicContact NH1-OD1 2.74Å; R230-D282 PolarHBondContact NH1-OD1 3.46Å; R230-D282 IonicContact NH1-OD2 3.81Å; R230-D282 PolarHBondContact NH1-OD2 2.95Å; R230-D282 IonicContact NH2-OD1 3.14Å; R230-D282 PolarHBondContact NH2-OD1 3.41Å; R230-D282 IonicContact NH2-OD2 3.34Å
231A92.2Very high93.3Very high6 Ų679.4 Ų79.45%0.0535%0.353CS..Hα-helixtrans-63.6-45.3177.400000111.4A227 K228 K235 A236 A239A227-A231 VanDerWaalsContact O-CB 3.27Å; A227-A231 WeakPolarHBondContact O-CB 3.32Å; A227-A231 PolarHBondContact O-N 3.15Å; K228-A231 PolarHBondContact O-N 3.46Å; A231-K235 WeakPolarHBondContact O-CA 3.36Å; A231-K235 PolarHBondContact O-N 2.79Å; A231-A236 PolarHBondContact O-N 3.41Å; A231-A239 HydrophobicContact CB-CB 4.48Å
232M91.6Very high93.3Very high146 Ų14678.8 Ų78.872%0.71935%0.349SS*.Hα-helixtrans-64-48.7177-69176.473.200112.2K228 R234 K235K228-M232 WeakPolarHBondContact O-CB 3.24Å; K228-M232 VanDerWaalsContact O-CG 3.3Å; K228-M232 WeakPolarHBondContact O-CG 3.47Å; K228-M232 PolarHBondContact O-N 2.97Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 2.97Å; M232-K235 PolarHBondContact O-N 3.37Å
233Q93.3Very high93.3Very high149 Ų14972.7 Ų72.770%0.69633%0.326SS*.Hα-helixtrans-59.9-41.1179.5-75.9171-1.500112.6L229L229-Q233 VanDerWaalsContact O-CB 3.32Å; L229-Q233 WeakPolarHBondContact O-CB 3.4Å; L229-Q233 WeakPolarHBondContact O-CG 3.33Å; L229-Q233 PolarHBondContact O-N 3.31Å
234R92.2Very high93.2Very high176 Ų17672.7 Ų72.766%0.66433%0.326SS*.Hα-helixtrans-88.2-3-179.4-63.5-177.7179.8-173.10.1113.8R230 M232 A236R230-R234 WeakPolarHBondContact O-CB 3.32Å; R230-R234 WeakPolarHBondContact O-CG 3.31Å; R230-R234 PolarHBondContact O-N 2.98Å; M232-R234 VanDerWaalsContact C-N 3.33Å; M232-R234 PolarHBondContact O-N 2.97Å; R234-A236 HydrophobicContact CB-CB 4.03Å; R234-A236 PolarHBondContact O-N 2.95Å
235K91.4Very high93.1Very high197 Ų19772 Ų7286%0.85732%0.322SS*.THydrogen-bonded Turntrans49.440.8-171.4-57-179.8-179.2179.20112.2A231 M232A231-K235 WeakPolarHBondContact O-CA 3.36Å; A231-K235 PolarHBondContact O-N 2.79Å; M232-K235 PolarHBondContact O-N 3.37Å
236A91.2Very high92.8Very high22 Ų2267.9 Ų67.918%0.18230%0.302CS..  trans-112.5145.4-170.500000111.9A231 R234 F238A231-A236 PolarHBondContact O-N 3.41Å; R234-A236 HydrophobicContact CB-CB 4.03Å; R234-A236 PolarHBondContact O-N 2.95Å; A236-F238 WeakPolarHBondContact CB-O 3.47Å; A236-F238 PolarHBondContact O-N 3.12Å
237R90.4Very high92.3Very high140 Ų14069.7 Ų69.753%0.52831%0.309SS..SBendtrans-59.5-25.4172.9-173.3-172.8176.6163.116.1112.9T340 W341 W342R237-T340 HydrophobicContact CG-CG2 4.06Å; R237-W341 PolarHBondContact O-N 3.4Å; R237-W341 VanDerWaalsContact O-N 3.15Å; R237-W342 HydrophobicContact CB-CZ2 4.34Å; R237-W342 WeakPolarHBondContact CG-O 3.45Å; R237-W342 PolarHBondContact NE-O 3.14Å; R237-W342 PolarHBondContact NH2-O 2.94Å; R237-W342 PolarHBondContact NH2-OXT 3.5Å
238F93Very high91.6Very high93 Ų9376.3 Ų76.341%0.40834%0.34SS..EExtended strand (participates in β ladder)trans-133.5155.5-175.470.4-87000113A236 K240 K338 I339A236-F238 WeakPolarHBondContact CB-O 3.47Å; A236-F238 PolarHBondContact O-N 3.12Å; F238-K240 HydrophobicContact CD2-CG 4.38Å; F238-K240 HydrophobicContact CE2-CD 4.49Å; F238-K240 HydrophobicContact CE2-CG 4.32Å; F238-K338 HydrophobicContact CB-CG 4.44Å; F238-K338 HydrophobicContact CD2-CG 4.24Å; F238-I339 CarbonylContact C-O 3.56Å; F238-I339 WeakPolarHBondContact CA-O 3.4Å; F238-I339 WeakPolarHBondContact CB-O 3.48Å
239A95.4Very high90.2Very high3 Ų376.3 Ų76.33%0.02534%0.341CS..EExtended strand (participates in β ladder)trans-122.1147.3168.500000110A227 R230 A231 L241 K338 I339A227-A239 HydrophobicContact CB-CB 4.2Å; A227-A239 WeakPolarHBondContact O-CB 3.4Å; R230-A239 HydrophobicContact CB-CB 3.85Å; A231-A239 HydrophobicContact CB-CB 4.48Å; A239-L241 HydrophobicContact CB-CD1 4.2Å; A239-K338 WeakPolarHBondContact O-CA 3.35Å; A239-I339 PolarHBondContact N-O 3.04Å; A239-I339 PolarHBondContact O-N 2.98Å
240K94.5Very high88.6Confident87 Ų8774.9 Ų74.938%0.37833%0.333SS..EExtended strand (participates in β ladder)trans-107.4135.2171.6-74.2177.5158.9-137.10109.6R230 F238 E336 F337R230-K240 PolarHBondContact NH1-O 2.62Å; F238-K240 HydrophobicContact CD2-CG 4.38Å; F238-K240 HydrophobicContact CE2-CD 4.49Å; F238-K240 HydrophobicContact CE2-CG 4.32Å; K240-E336 HydrophobicContact CB-CG 4.37Å; K240-E336 WeakPolarHBondContact CD-OE2 3.35Å; K240-E336 WeakPolarHBondContact CE-OE1 3.31Å; K240-E336 HydrophobicContact CG-CG 4.43Å; K240-E336 IonicContact NZ-OE1 3.39Å; K240-E336 PolarHBondContact NZ-OE1 2.96Å; K240-E336 IonicContact NZ-OE2 2.72Å; K240-E336 PolarHBondContact NZ-OE2 3.22Å; K240-E336 VanDerWaalsContact NZ-OE2 3.12Å; K240-F337 CarbonylContact C-O 3.5Å; K240-F337 WeakPolarHBondContact CA-O 3.28Å
241L95.3Very high86.5Confident1 Ų174.2 Ų74.21%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-129.5143.9176.4-69.283.1000109.9I223 I226 A227 A239 I243 D282 E336 F337 I339I223-L241 HydrophobicContact CG2-CD2 4.25Å; I226-L241 HydrophobicContact CB-CD2 3.83Å; I226-L241 HydrophobicContact CG2-CD2 3.66Å; I226-L241 HydrophobicContact CG2-CG 3.97Å; A227-L241 HydrophobicContact CB-CD1 3.87Å; A239-L241 HydrophobicContact CB-CD1 4.2Å; L241-I243 HydrophobicContact CB-CG1 4.47Å; L241-D282 WeakPolarHBondContact CA-OD2 3.4Å; L241-D282 WeakPolarHBondContact CB-OD2 3.47Å; L241-D282 HydrophobicContact CD2-CB 4.45Å; L241-E336 CarbonylContact O-C 3.44Å; L241-E336 VanDerWaalsContact O-CA 3.32Å; L241-E336 WeakPolarHBondContact O-CA 3.49Å; L241-F337 PolarHBondContact N-O 2.92Å; L241-F337 PolarHBondContact O-N 3.36Å; L241-I339 HydrophobicContact CD1-CD1 4.11Å; L241-I339 HydrophobicContact CD1-CG1 4.5Å
242K94.4Very high84.6Confident87 Ų8777 Ų7738%0.37835%0.35SS..EExtended strand (participates in β ladder)trans-95.7124.5168.2-66.5-178.7-177.4176.60108.3V281 D282 I317 I334 Y335K242-V281 HydrophobicContact CB-CB 4.29Å; K242-V281 HydrophobicContact CB-CG1 4.17Å; K242-V281 WeakPolarHBondContact O-CB 3.38Å; K242-D282 PolarHBondContact N-OD2 2.88Å; K242-D282 WeakPolarHBondContact O-CB 3.16Å; K242-D282 PolarHBondContact O-N 2.82Å; K242-I317 HydrophobicContact CD-CD1 4.45Å; K242-I317 HydrophobicContact CG-CD1 4.2Å; K242-I334 HydrophobicContact CB-CG2 4.09Å; K242-Y335 CarbonylContact C-O 3.56Å; K242-Y335 WeakPolarHBondContact CA-O 3.44Å
243I94.4Very high82.5Confident0 Ų072.8 Ų72.80%033%0.333CS..EExtended strand (participates in β ladder)trans-121.9124.7178.9-54.5-168.8000108.7I223 L241 V245 V283 F285 Y335 F337I223-I243 HydrophobicContact CD1-CD1 3.51Å; I223-I243 HydrophobicContact CG1-CD1 3.75Å; L241-I243 HydrophobicContact CB-CG1 4.47Å; I243-V245 HydrophobicContact CG2-CG2 3.9Å; I243-V283 WeakPolarHBondContact CA-O 3.36Å; I243-F285 HydrophobicContact CG2-CD2 3.66Å; I243-F285 HydrophobicContact CG2-CE2 3.71Å; I243-Y335 PolarHBondContact N-O 2.83Å; I243-Y335 PolarHBondContact O-N 3.32Å; I243-F337 HydrophobicContact CB-CD2 3.99Å; I243-F337 HydrophobicContact CB-CE2 4.14Å; I243-F337 HydrophobicContact CD1-CB 4.12Å; I243-F337 HydrophobicContact CD1-CD1 4.2Å; I243-F337 HydrophobicContact CD1-CD2 3.54Å; I243-F337 HydrophobicContact CD1-CE2 3.91Å; I243-F337 HydrophobicContact CD1-CG 3.69Å; I243-F337 HydrophobicContact CD1-CZ 4.38Å; I243-F337 HydrophobicContact CG1-CB 4.5Å; I243-F337 HydrophobicContact CG1-CD2 3.8Å; I243-F337 HydrophobicContact CG1-CE2 4.32Å; I243-F337 HydrophobicContact CG1-CG 4.28Å
244C91.6Very high80.2Confident1 Ų170.6 Ų70.61%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-85.5130171.6-172.40000108.9V281 V283 S284 F285 R332 P333C244-V281 HydrophobicContact CB-CB 4.28Å; C244-V281 HydrophobicContact CB-CG1 3.95Å; C244-V281 HydrophobicContact CB-CG2 3.74Å; C244-V283 PolarHBondContact N-O 2.55Å; C244-S284 CarbonylContact O-C 3.5Å; C244-S284 WeakPolarHBondContact O-CA 3.28Å; C244-F285 PolarHBondContact O-N 3.26Å; C244-R332 VanDerWaalsContact SG-CB 3.52Å; C244-P333 WeakPolarHBondContact CA-O 3.33Å
245V91.5Very high77.8Confident0 Ų070.6 Ų70.60%033%0.333CS..EExtended strand (participates in β ladder)trans-132.4120176.1-171.90000109I243 F285 W288 V294 L297 L298 P333 Y335I243-V245 HydrophobicContact CG2-CG2 3.9Å; V245-F285 HydrophobicContact CG1-CB 4.39Å; V245-F285 HydrophobicContact CG2-CD2 4.31Å; V245-W288 HydrophobicContact CG1-CH2 3.81Å; V245-W288 HydrophobicContact CG1-CZ3 3.95Å; V245-V294 HydrophobicContact CB-CG1 4.1Å; V245-V294 HydrophobicContact CG1-CG1 3.78Å; V245-L297 HydrophobicContact CG1-CD2 3.86Å; V245-L297 HydrophobicContact CG1-CG 4.4Å; V245-L298 HydrophobicContact CG2-CD2 4.11Å; V245-P333 PolarHBondContact N-O 2.94Å; V245-Y335 HydrophobicContact CB-CD2 4.12Å; V245-Y335 HydrophobicContact CB-CE2 4.06Å; V245-Y335 HydrophobicContact CG2-CD2 4.04Å; V245-Y335 HydrophobicContact CG2-CE2 4.45Å
246Y87.8Confident75.6Confident26 Ų2669.1 Ų69.110%0.10233%0.329CS..  trans-146.1129.3-175.362-82.4000111.5E248 F285 G286 P287 W288 R332Y246-E248 VanDerWaalsContact CD2-O 3.32Å; Y246-E248 WeakPolarHBondContact CD2-O 3.42Å; Y246-F285 WeakPolarHBondContact CD1-O 3.47Å; Y246-F285 PolarHBondContact N-O 2.76Å; Y246-G286 VanDerWaalsContact O-CA 3.27Å; Y246-G286 WeakPolarHBondContact O-CA 3.36Å; Y246-G286 PolarHBondContact OH-O 3.4Å; Y246-G286 VanDerWaalsContact OH-O 3.06Å; Y246-P287 HydrophobicContact CE2-CB 4.27Å; Y246-W288 VanDerWaalsContact C-CZ3 3.44Å; Y246-W288 WeakPolarHBondContact O-CZ3 3.19Å; Y246-R332 HydrophobicContact CD1-CG 4.25Å; Y246-R332 HydrophobicContact CG-CG 4.04Å
247K84.5Confident73.2Confident62 Ų6279 Ų7927%0.2736%0.361SS..SBendtrans-74.6-50.1179.4-176.8165.9-178.8161.10111.9P287 W288 A290 V291 A292K247-P287 WeakPolarHBondContact O-CA 3.44Å; K247-P287 VanDerWaalsContact O-CB 3.3Å; K247-P287 WeakPolarHBondContact O-CB 3.48Å; K247-W288 HydrophobicContact CB-CD2 4.44Å; K247-W288 HydrophobicContact CB-CH2 4.11Å; K247-W288 HydrophobicContact CB-CZ2 3.82Å; K247-W288 HydrophobicContact CD-CZ2 4.38Å; K247-W288 HydrophobicContact CG-CD2 4.35Å; K247-W288 HydrophobicContact CG-CZ2 4.11Å; K247-W288 PolarHBondContact O-N 3.17Å; K247-A290 WeakPolarHBondContact CE-O 3.46Å; K247-A290 PolarHBondContact NZ-O 2.89Å; K247-V291 PolarHBondContact NZ-O 2.94Å; K247-A292 PolarHBondContact NZ-O 2.81Å
248E78.8Confident71Confident139 Ų13977.7 Ų77.765%0.6537%0.371SS*.SBendtrans-98.6139.5-177.1-65.6173.2-16800111.5Y246 M250Y246-E248 VanDerWaalsContact CD2-O 3.32Å; Y246-E248 WeakPolarHBondContact CD2-O 3.42Å; E248-M250 PolarHBondContact O-N 3.26Å; E248-M250 VanDerWaalsContact O-N 3.07Å
249E63.7Low68.5Low105 Ų10580.9 Ų80.949%0.49139%0.391SS..SBendtrans-55.5-30.4-177.7-166.4179-141.400113R267 P287 R332E249-R267 IonicContact OE2-NH1 3.5Å; E249-P287 HydrophobicContact CB-CB 4.25Å; E249-P287 HydrophobicContact CB-CG 4.22Å; E249-P287 HydrophobicContact CG-CG 4.47Å; E249-R332 PolarHBondContact O-NH2 3.49Å
250M58.7Low65.8Low68 Ų6890 Ų9034%0.33543%0.431SS..  trans-14494-171.9-84.3-179.216200114E248 I252 R267 F275E248-M250 PolarHBondContact O-N 3.26Å; E248-M250 VanDerWaalsContact O-N 3.07Å; M250-I252 HydrophobicContact CB-CD1 4.25Å; M250-I252 HydrophobicContact CB-CG1 4.07Å; M250-I252 HydrophobicContact CE-CD1 4.17Å; M250-I252 HydrophobicContact CG-CD1 4.17Å; M250-I252 HydrophobicContact CG-CG1 4.22Å; M250-I252 PolarHBondContact O-N 3.46Å; M250-I252 VanDerWaalsContact O-N 3.11Å; M250-I252 HydrophobicContact SD-CD1 3.6Å; M250-I252 VanDerWaalsContact SD-CD1 3.6Å; M250-I252 HydrophobicContact SD-CG1 4.3Å; M250-R267 PolarHBondContact SD-NH2 3.35Å; M250-F275 HydrophobicContact CE-CB 4.27Å; M250-F275 HydrophobicContact CE-CD1 4.33Å; M250-F275 HydrophobicContact CE-CG 4.24Å
251P51.4Low63Low51 Ų5194.1 Ų94.133%0.33146%0.457SS..  trans-80.173.8153.733.3-32000109.1T253 K331 R332P251-T253 PolarHBondContact O-N 3.02Å; P251-K331 HydrophobicContact CG-CB 4.4Å; P251-R332 HydrophobicContact CG-CG 4.42Å
252I52.3Low60.4Low64 Ų6499.3 Ų99.333%0.32849%0.494SS..  trans-74.1105.6171.3-64.8167000107.7M250 P254 Y328M250-I252 HydrophobicContact CB-CD1 4.25Å; M250-I252 HydrophobicContact CB-CG1 4.07Å; M250-I252 HydrophobicContact CE-CD1 4.17Å; M250-I252 HydrophobicContact CG-CD1 4.17Å; M250-I252 HydrophobicContact CG-CG1 4.22Å; M250-I252 PolarHBondContact O-N 3.46Å; M250-I252 VanDerWaalsContact O-N 3.11Å; M250-I252 HydrophobicContact SD-CD1 3.6Å; M250-I252 VanDerWaalsContact SD-CD1 3.6Å; M250-I252 HydrophobicContact SD-CG1 4.3Å; I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.38Å; I252-Y328 HydrophobicContact CG2-CD1 3.32Å; I252-Y328 HydrophobicContact CG2-CE1 3.39Å; I252-Y328 HydrophobicContact CG2-CG 4.24Å
253T46.3Very low57.8Low57 Ų57102.7 Ų102.735%0.3552%0.515SS..  trans-80.5114.6163.755.70000108.8P251 Y255 K331P251-T253 PolarHBondContact O-N 3.02Å; T253-Y255 PolarHBondContact O-N 3.34Å; T253-K331 HydrophobicContact CG2-CG 3.98Å
254P44.7Very low55.2Low104 Ų104113 Ų11368%0.67555%0.554SS**  trans-72.1109166-1.720000106.7I252 E256I252-P254 VanDerWaalsContact O-CD 3.31Å; I252-P254 WeakPolarHBondContact O-CD 3.38Å; P254-E256 PolarHBondContact O-N 3.27Å
255Y42.3Very low52.8Low176 Ų176120 Ų12069%0.6959%0.585SS**  trans-74.298.3170.9-137.6-85.2000107.8T253T253-Y255 PolarHBondContact O-N 3.34Å
256E45.8Very low50.4Low166 Ų166127.4 Ų127.478%0.77662%0.619SS**SBendtrans27.294.6169.5-62.7-172.7147.600117.7P254P254-E256 PolarHBondContact O-N 3.27Å
257R41.5Very low48.3Very low229 Ų229134.2 Ų134.286%0.86465%0.645SS**  trans-147101.9136.6-111.4173.1-168.3163.25.3110.3
258P43Very low46.4Very low113 Ų113134.6 Ų134.673%0.73465%0.652SS**  trans-63.7164.6161.230.5-33.5000109.1
259L40.8Very low45Very low159 Ų159136.8 Ų136.883%0.83266%0.663SS**  trans84.447.5-177.1-46.5175000117
260F38.5Very low44Very low194 Ų194135.9 Ų135.985%0.85167%0.668SS**  trans-154.273.9140.9-97.3-64.4000112.3S262F260-S262 VanDerWaalsContact C-N 3.3Å; F260-S262 PolarHBondContact O-N 3.02Å
261N36.7Very low43.5Very low175 Ų175137.6 Ų137.694%0.93668%0.675SS**THydrogen-bonded Turntrans-68.286.4161.1-87.5-3.2000109.3
262S40.5Very low43.4Very low110 Ų110138.6 Ų138.677%0.76969%0.688SS**THydrogen-bonded Turntrans-171.42.2159.9-113.90000117.5F260 R264F260-S262 VanDerWaalsContact C-N 3.3Å; F260-S262 PolarHBondContact O-N 3.02Å; S262-R264 PolarHBondContact O-N 3.06Å
263L38.3Very low42.9Very low157 Ų157143.9 Ų143.982%0.82271%0.708SS**  trans-86.893.1174.1-71.2175.9000111.2F265L263-F265 PolarHBondContact O-N 3.39Å
264R40.3Very low43.1Very low216 Ų216146.5 Ų146.582%0.81572%0.719SS**  trans-58.8123.6153.8-74.2-176175.9-175.7-0.7107.6S262 E266S262-R264 PolarHBondContact O-N 3.06Å; R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3Å
265F41.8Very low43.5Very low150 Ų150144.9 Ų144.966%0.65870%0.702SS**  trans-73.679.7173.3-94.2-97.4000110.4L263 R267L263-F265 PolarHBondContact O-N 3.39Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.18Å; F265-R267 VanDerWaalsContact O-N 3.11Å
266E40.8Very low44.2Very low155 Ų155143.6 Ų143.672%0.72470%0.702SS**  trans-76.289.3162.5-73.9-178.1175.900108.4R264 T268R264-E266 VanDerWaalsContact C-N 3.27Å; R264-E266 PolarHBondContact O-N 3Å; E266-T268 PolarHBondContact O-N 2.95Å
267R44.6Very low45.2Very low169 Ų169136.6 Ų136.664%0.63867%0.67SS**  trans-60.9107.5176.4-74.7-179.9170.3-172.2-6109.6E249 M250 F265E249-R267 IonicContact OE2-NH1 3.5Å; M250-R267 PolarHBondContact SD-NH2 3.35Å; F265-R267 VanDerWaalsContact C-N 3.34Å; F265-R267 PolarHBondContact O-N 3.18Å; F265-R267 VanDerWaalsContact O-N 3.11Å
268T43.3Very low46.5Very low70 Ų70131.9 Ų131.943%0.42966%0.657SS.*  trans-83.4141.2166.957.10000110.2E266 S270 E271E266-T268 PolarHBondContact O-N 2.95Å; T268-S270 PolarHBondContact O-N 3.49Å; T268-S270 PolarHBondContact OG1-OG 3.48Å; T268-E271 PolarHBondContact O-N 2.9Å
269E48.8Very low48.1Very low185 Ų185127.2 Ų127.286%0.86463%0.627SS**Hα-helixtrans-58.2-23.9-176.6-62.5-177.3145.500113.4
270S44Very low50.1Low86 Ų86127.5 Ų127.560%0.60162%0.624SS**Hα-helixtrans-65.7-32.9174.232.50000114.3T268T268-S270 PolarHBondContact O-N 3.49Å; T268-S270 PolarHBondContact OG1-OG 3.48Å
271E48.4Very low52.6Low103 Ų103119.8 Ų119.848%0.48159%0.593SS.*Hα-helixtrans-85.2-22.5-176.8-69.5-174.1153.400113.3T268 K273 L274 F275T268-E271 PolarHBondContact O-N 2.9Å; E271-K273 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact O-N 3.13Å; E271-L274 WeakPolarHBondContact O-CB 3.35Å; E271-L274 PolarHBondContact O-N 2.94Å; E271-F275 WeakPolarHBondContact O-CD2 3.31Å
272A47.9Very low55.2Low73 Ų73113.1 Ų113.160%0.60356%0.557SS**Hα-helixtrans-55.7-33.1177.100000112.6L274 F275A272-L274 VanDerWaalsContact C-N 3.28Å; A272-L274 PolarHBondContact O-N 3.39Å; A272-F275 PolarHBondContact O-N 3.45Å
273K42.3Very low57.6Low174 Ų174108.1 Ų108.176%0.75752%0.522SS*.THydrogen-bonded Turntrans-72.5-13.1177.6-65.4-179.3179.9176.50114.4E271E271-K273 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact O-N 3.13Å
274L49.9Very low60.2Low112 Ų112103 Ų10359%0.58650%0.5SS*.THydrogen-bonded Turntrans-89.2-8.5178.9-72.9165.4000113.4E271 A272 I325E271-L274 WeakPolarHBondContact O-CB 3.35Å; E271-L274 PolarHBondContact O-N 2.94Å; A272-L274 VanDerWaalsContact C-N 3.28Å; A272-L274 PolarHBondContact O-N 3.39Å; L274-I325 HydrophobicContact CB-CD1 3.94Å; L274-I325 HydrophobicContact CD2-CD1 4.37Å
275F53.4Low62.6Low70 Ų7092.8 Ų92.831%0.30746%0.461SS..  trans-111.815.2-177.3-71.3-83.4000114.1M250 E271 A272 H277M250-F275 HydrophobicContact CE-CB 4.27Å; M250-F275 HydrophobicContact CE-CD1 4.33Å; M250-F275 HydrophobicContact CE-CG 4.24Å; E271-F275 WeakPolarHBondContact O-CD2 3.31Å; A272-F275 PolarHBondContact O-N 3.45Å; F275-H277 PolarHBondContact O-N 2.81Å
276E57.9Low64.7Low149 Ų14986.3 Ų86.370%0.69644%0.437SS*.  trans-71.874.9179.4-166176.2-178.500112.2H278E276-H278 IonicContact OE1-CE1 2.74Å
277H66Low66.9Low20 Ų2081.5 Ų81.59%0.09342%0.419CS..  trans-99112.7177.8170.373000111.9F275 C279 L324 C330 R332F275-H277 PolarHBondContact O-N 2.81Å; H277-C279 PolarHBondContact NE2-N 3.18Å; H277-C279 PolarHBondContact NE2-SG 2.74Å; H277-L324 HydrophobicContact CB-CD2 3.43Å; H277-L324 VanDerWaalsContact CB-CD2 3.43Å; H277-C330 PolarHBondContact CD2-SG 2.77Å; H277-C330 WeakPolarHBondContact NE2-CB 3.43Å; H277-R332 PolarHBondContact O-NH1 3.24Å
278H68.8Low69Low129 Ų12974.1 Ų74.160%0.59739%0.391SS*.  trans-90.7123.9163.8-64.485.7000109.4E276E276-H278 IonicContact OE1-CE1 2.74Å
279C78.1Confident71Confident16 Ų1679.5 Ų79.511%0.10841%0.411CS..  trans-67154.3173.9-55.60000110.1H277 V281H277-C279 PolarHBondContact NE2-N 3.18Å; H277-C279 PolarHBondContact NE2-SG 2.74Å; C279-V281 HydrophobicContact CB-CG1 4.02Å; C279-V281 HydrophobicContact CB-CG2 4.11Å; C279-V281 PolarHBondContact O-N 2.89Å
280E82.3Confident72.7Confident164 Ų16472 Ų7277%0.76638%0.38SS*.SBendtrans-78.474175.7-163.9-170141.900110.8
281V89.9Confident74.7Confident33 Ų3374.9 Ų74.920%0.239%0.394CS..SBendtrans-135.9163.3-175.4-60.90000110.9K242 C244 C279 V283 I334K242-V281 HydrophobicContact CB-CB 4.29Å; K242-V281 HydrophobicContact CB-CG1 4.17Å; K242-V281 WeakPolarHBondContact O-CB 3.38Å; C244-V281 HydrophobicContact CB-CB 4.28Å; C244-V281 HydrophobicContact CB-CG1 3.95Å; C244-V281 HydrophobicContact CB-CG2 3.74Å; C279-V281 HydrophobicContact CB-CG1 4.02Å; C279-V281 HydrophobicContact CB-CG2 4.11Å; C279-V281 PolarHBondContact O-N 2.89Å; V281-V283 WeakPolarHBondContact CG2-O 3.32Å; V281-I334 HydrophobicContact CG1-CD1 4.05Å; V281-I334 HydrophobicContact CG1-CG1 4.14Å; V281-I334 HydrophobicContact CG1-CG2 3.86Å
282D91.2Very high76.6Confident34 Ų3471 Ų7118%0.18238%0.379CS..SBendtrans-82.1-36.6-178.7-61.2-50.4000112.6R222 I226 R230 L241 K242R222-D282 PolarHBondContact NE-O 2.88Å; I226-D282 HydrophobicContact CD1-CB 4.02Å; R230-D282 IonicContact CZ-OD1 2.7Å; R230-D282 IonicContact CZ-OD2 2.64Å; R230-D282 VanDerWaalsContact NH1-CG 3.31Å; R230-D282 IonicContact NH1-OD1 2.74Å; R230-D282 PolarHBondContact NH1-OD1 3.46Å; R230-D282 IonicContact NH1-OD2 3.81Å; R230-D282 PolarHBondContact NH1-OD2 2.95Å; R230-D282 IonicContact NH2-OD1 3.14Å; R230-D282 PolarHBondContact NH2-OD1 3.41Å; R230-D282 IonicContact NH2-OD2 3.34Å; L241-D282 WeakPolarHBondContact CA-OD2 3.4Å; L241-D282 WeakPolarHBondContact CB-OD2 3.47Å; L241-D282 HydrophobicContact CD2-CB 4.45Å; K242-D282 PolarHBondContact N-OD2 2.88Å; K242-D282 WeakPolarHBondContact O-CB 3.16Å; K242-D282 PolarHBondContact O-N 2.82Å
283V92.7Very high78.6Confident6 Ų670.7 Ų70.74%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-146.3147.7-176.9179.80000108.7N219 R222 I223 I226 I243 C244 V281 F285N219-V283 HydrophobicContact CB-CG1 3.66Å; R222-V283 HydrophobicContact CB-CG2 4.27Å; R222-V283 HydrophobicContact CG-CG2 3.93Å; I223-V283 HydrophobicContact CG1-CB 4.26Å; I223-V283 HydrophobicContact CG1-CG1 4.28Å; I223-V283 HydrophobicContact CG1-CG2 3.89Å; I226-V283 HydrophobicContact CD1-CG2 4.44Å; I243-V283 WeakPolarHBondContact CA-O 3.36Å; C244-V283 PolarHBondContact N-O 2.55Å; V281-V283 WeakPolarHBondContact CG2-O 3.32Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.68Å; V283-F285 HydrophobicContact CG1-CZ 4.11Å
284S91.1Very high80.9Confident50 Ų5063.6 Ų63.635%0.3534%0.339SS..EExtended strand (participates in β ladder)trans-132.6129.5177.257.20000111.5N219 C244N219-S284 PolarHBondContact ND2-O 3.32Å; C244-S284 CarbonylContact O-C 3.5Å; C244-S284 WeakPolarHBondContact O-CA 3.28Å
285F91.2Very high82.9Confident1 Ų165.4 Ų65.40%0.00434%0.339CS..EExtended strand (participates in β ladder)trans-109.9128.5171.7-62.9-95.4000110.4Y216 N219 I223 I243 C244 V245 Y246 V283 L297 I301Y216-F285 AromaticContact CD2-CD1 3.97Å; Y216-F285 HydrophobicContact CD2-CD1 3.97Å; Y216-F285 AromaticContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CD2-CE1 3.62Å; Y216-F285 HydrophobicContact CE2-CD1 4.45Å; Y216-F285 AromaticContact CE2-CE1 3.93Å; Y216-F285 HydrophobicContact CE2-CE1 3.93Å; N219-F285 HydrophobicContact CB-CD1 4.26Å; N219-F285 HydrophobicContact CB-CE1 3.55Å; N219-F285 HydrophobicContact CB-CE2 4.39Å; N219-F285 HydrophobicContact CB-CZ 3.63Å; I223-F285 HydrophobicContact CD1-CE2 3.9Å; I223-F285 HydrophobicContact CD1-CZ 3.84Å; I243-F285 HydrophobicContact CG2-CD2 3.66Å; I243-F285 HydrophobicContact CG2-CE2 3.71Å; C244-F285 PolarHBondContact O-N 3.26Å; V245-F285 HydrophobicContact CG1-CB 4.39Å; V245-F285 HydrophobicContact CG2-CD2 4.31Å; Y246-F285 WeakPolarHBondContact CD1-O 3.47Å; Y246-F285 PolarHBondContact N-O 2.76Å; V283-F285 HydrophobicContact CG1-CD2 4.24Å; V283-F285 HydrophobicContact CG1-CE2 3.68Å; V283-F285 HydrophobicContact CG1-CZ 4.11Å; F285-L297 HydrophobicContact CB-CD2 3.81Å; F285-L297 HydrophobicContact CD1-CD2 4.49Å; F285-L297 HydrophobicContact CG-CD2 4.32Å; F285-I301 HydrophobicContact CD1-CD1 4.44Å; F285-I301 HydrophobicContact CD2-CD1 3.9Å; F285-I301 HydrophobicContact CE1-CD1 4.15Å; F285-I301 HydrophobicContact CE1-CG1 4.44Å; F285-I301 HydrophobicContact CE2-CD1 3.57Å; F285-I301 HydrophobicContact CE2-CG1 4.45Å; F285-I301 HydrophobicContact CG-CD1 4.32Å; F285-I301 HydrophobicContact CZ-CD1 3.71Å; F285-I301 HydrophobicContact CZ-CG1 4.11Å
286G86Confident84.7Confident14 Ų1465.7 Ų65.714%0.14434%0.344CS..  trans128.1169.7178.200000113.9Y246Y246-G286 VanDerWaalsContact O-CA 3.27Å; Y246-G286 WeakPolarHBondContact O-CA 3.36Å; Y246-G286 PolarHBondContact OH-O 3.4Å; Y246-G286 VanDerWaalsContact OH-O 3.06Å
287P87.8Confident86.4Confident53 Ų5358.6 Ų58.634%0.34431%0.311SS..  cis-73.5170.1-7.233.1-35.5000112.3Y246 K247 E249Y246-P287 HydrophobicContact CE2-CB 4.27Å; K247-P287 WeakPolarHBondContact O-CA 3.44Å; K247-P287 VanDerWaalsContact O-CB 3.3Å; K247-P287 WeakPolarHBondContact O-CB 3.48Å; E249-P287 HydrophobicContact CB-CB 4.25Å; E249-P287 HydrophobicContact CB-CG 4.22Å; E249-P287 HydrophobicContact CG-CG 4.47Å
288W88.4Confident87.7Confident15 Ų1557.8 Ų57.86%0.05731%0.307CS..  trans-148.1151.8171.270.387000112.5F209 L213 V245 Y246 K247 A292 D293 V294 L297F209-W288 AromaticContact CE2-CD1 3.76Å; F209-W288 HydrophobicContact CE2-CG 4.39Å; F209-W288 AromaticContact CE2-NE1 3.68Å; L213-W288 HydrophobicContact CD2-CB 3.72Å; L213-W288 HydrophobicContact CD2-CD2 3.79Å; L213-W288 HydrophobicContact CD2-CE3 3.61Å; L213-W288 HydrophobicContact CD2-CG 3.86Å; L213-W288 HydrophobicContact CD2-CZ3 4.43Å; L213-W288 HydrophobicContact CG-CB 4.28Å; V245-W288 HydrophobicContact CG1-CH2 3.81Å; V245-W288 HydrophobicContact CG1-CZ3 3.95Å; Y246-W288 VanDerWaalsContact C-CZ3 3.44Å; Y246-W288 WeakPolarHBondContact O-CZ3 3.19Å; K247-W288 HydrophobicContact CB-CD2 4.44Å; K247-W288 HydrophobicContact CB-CH2 4.11Å; K247-W288 HydrophobicContact CB-CZ2 3.82Å; K247-W288 HydrophobicContact CD-CZ2 4.38Å; K247-W288 HydrophobicContact CG-CD2 4.35Å; K247-W288 HydrophobicContact CG-CZ2 4.11Å; K247-W288 PolarHBondContact O-N 3.17Å; W288-A292 PolarHBondContact NE1-O 2.85Å; W288-D293 WeakPolarHBondContact CZ2-O 3.18Å; W288-V294 HydrophobicContact CH2-CG2 3.99Å; W288-V294 HydrophobicContact CZ2-CG2 4.39Å; W288-L297 HydrophobicContact CE3-CD2 4.03Å; W288-L297 HydrophobicContact CH2-CB 4.39Å; W288-L297 HydrophobicContact CH2-CD2 3.69Å; W288-L297 HydrophobicContact CZ2-CD2 4.33Å; W288-L297 HydrophobicContact CZ3-CD2 3.51Å
289E85.3Confident88.9Confident183 Ų18357.9 Ų57.986%0.85531%0.307SS*.  trans-110.386.9-179.8-168.5173.6-178.800110.5
290A84.6Confident89.6Confident26 Ų2657.5 Ų57.522%0.21531%0.305CS..SBendtrans-148.3164.5177.100000111.5F209 L212 K247 A292F209-A290 HydrophobicContact CD2-CB 3.84Å; F209-A290 HydrophobicContact CE2-CB 4.04Å; L212-A290 HydrophobicContact CD1-CB 3.96Å; K247-A290 WeakPolarHBondContact CE-O 3.46Å; K247-A290 PolarHBondContact NZ-O 2.89Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 HydrophobicContact CB-CB 4.46Å
291V85.9Confident90.2Very high148 Ų14849.7 Ų49.790%0.89727%0.268SS*.SBendtrans-65.4-40.7170.5178.70000110.6K247K247-V291 PolarHBondContact NZ-O 2.94Å
292A87.8Confident90.4Very high20 Ų2050.2 Ų50.217%0.16527%0.271CS..  trans-50.6143179.200000113.4F209 K247 W288 A290 D296F209-A292 HydrophobicContact CD1-CB 4.13Å; F209-A292 HydrophobicContact CD2-CB 3.71Å; F209-A292 HydrophobicContact CE1-CB 4.01Å; F209-A292 HydrophobicContact CE2-CB 3.61Å; F209-A292 HydrophobicContact CG-CB 3.97Å; F209-A292 HydrophobicContact CZ-CB 3.74Å; K247-A292 PolarHBondContact NZ-O 2.81Å; W288-A292 PolarHBondContact NE1-O 2.85Å; A290-A292 VanDerWaalsContact C-N 3.33Å; A290-A292 HydrophobicContact CB-CB 4.46Å; A292-D296 WeakPolarHBondContact CA-OD2 3.46Å; A292-D296 HydrophobicContact CB-CB 3.97Å; A292-D296 WeakPolarHBondContact CB-OD2 3.45Å
293D89.9Confident90.5Very high67 Ų6750 Ų5036%0.35827%0.273SS..  trans-102.1-171.5-173.582.48.8000113.4W288 Y295 D296 L297W288-D293 WeakPolarHBondContact CZ2-O 3.18Å; D293-Y295 VanDerWaalsContact C-N 3.34Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.3Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 3.14Å; D293-D296 PolarHBondContact N-OD2 2.83Å; D293-D296 PolarHBondContact OD1-N 3.34Å; D293-L297 PolarHBondContact O-N 2.97Å
294V90.7Very high90.5Very high25 Ų2550.8 Ų50.815%0.15228%0.277CS..Hα-helixtrans-67.1-35.3179.8173.50000111.7V245 W288 L297 L298 Y335V245-V294 HydrophobicContact CB-CG1 4.1Å; V245-V294 HydrophobicContact CG1-CG1 3.78Å; W288-V294 HydrophobicContact CH2-CG2 3.99Å; W288-V294 HydrophobicContact CZ2-CG2 4.39Å; V294-L297 PolarHBondContact O-N 3.04Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.35Å; V294-L298 VanDerWaalsContact O-CG 3.24Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 3.11Å; V294-Y335 HydrophobicContact CG1-CE2 3.83Å; V294-Y335 VanDerWaalsContact CG1-OH 3.31Å; V294-Y335 WeakPolarHBondContact CG1-OH 3.49Å
295Y91.2Very high90.6Very high150 Ų15048.4 Ų48.459%0.58826%0.26SS*.Hα-helixtrans-71.7-37.1179.3-60.4-76.6000112.1D293 L297 L298 H299D293-Y295 VanDerWaalsContact C-N 3.34Å; D293-Y295 WeakPolarHBondContact OD1-CA 3.3Å; D293-Y295 WeakPolarHBondContact OD1-CB 3.31Å; D293-Y295 PolarHBondContact OD1-N 3.14Å; Y295-L297 VanDerWaalsContact C-N 3.27Å; Y295-L297 PolarHBondContact O-N 3.36Å; Y295-L298 HydrophobicContact CD1-CD1 4.25Å; Y295-L298 PolarHBondContact O-N 2.87Å; Y295-H299 WeakPolarHBondContact O-CB 3.46Å; Y295-H299 PolarHBondContact O-N 3.27Å
296D92.3Very high90.7Very high77 Ų7751.3 Ų51.341%0.41228%0.284SS..Hα-helixtrans-56.3-43.5171.3-68.2-45.8000111.2F209 A292 D293 H299 C300F209-D296 HydrophobicContact CE1-CB 4.3Å; A292-D296 WeakPolarHBondContact CA-OD2 3.46Å; A292-D296 HydrophobicContact CB-CB 3.97Å; A292-D296 WeakPolarHBondContact CB-OD2 3.45Å; D293-D296 PolarHBondContact N-OD2 2.83Å; D293-D296 PolarHBondContact OD1-N 3.34Å; D296-H299 PolarHBondContact O-N 3.33Å; D296-C300 PolarHBondContact O-N 3.02Å; D296-C300 PolarHBondContact O-SG 2.8Å
297L93.1Very high90.9Very high0 Ų056.2 Ų56.20%030%0.303CS..Hα-helixtrans-69.9-43.4177.2-176.549.1000112.7F209 L210 L213 Y216 V245 F285 W288 D293 V294 Y295 H299 C300 I301F209-L297 HydrophobicContact CE1-CB 4.23Å; F209-L297 HydrophobicContact CE1-CD1 4.43Å; F209-L297 HydrophobicContact CZ-CB 4.09Å; L210-L297 HydrophobicContact CD2-CD1 4.48Å; L213-L297 HydrophobicContact CD1-CD1 3.5Å; L213-L297 HydrophobicContact CD1-CD2 4.1Å; L213-L297 HydrophobicContact CD1-CG 4.39Å; L213-L297 HydrophobicContact CD2-CD2 3.8Å; Y216-L297 HydrophobicContact CD2-CD1 4.02Å; Y216-L297 HydrophobicContact CE2-CD1 3.59Å; V245-L297 HydrophobicContact CG1-CD2 3.86Å; V245-L297 HydrophobicContact CG1-CG 4.4Å; F285-L297 HydrophobicContact CB-CD2 3.81Å; F285-L297 HydrophobicContact CD1-CD2 4.49Å; F285-L297 HydrophobicContact CG-CD2 4.32Å; W288-L297 HydrophobicContact CE3-CD2 4.03Å; W288-L297 HydrophobicContact CH2-CB 4.39Å; W288-L297 HydrophobicContact CH2-CD2 3.69Å; W288-L297 HydrophobicContact CZ2-CD2 4.33Å; W288-L297 HydrophobicContact CZ3-CD2 3.51Å; D293-L297 PolarHBondContact O-N 2.97Å; V294-L297 PolarHBondContact O-N 3.04Å; Y295-L297 VanDerWaalsContact C-N 3.27Å; Y295-L297 PolarHBondContact O-N 3.36Å; L297-H299 VanDerWaalsContact C-N 3.26Å; L297-H299 PolarHBondContact O-N 2.72Å; L297-C300 WeakPolarHBondContact O-CB 3.25Å; L297-C300 PolarHBondContact O-N 2.94Å; L297-C300 VanDerWaalsContact O-N 3.14Å; L297-I301 HydrophobicContact CD1-CD1 4.19Å; L297-I301 HydrophobicContact CD1-CG1 4.23Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 3.38Å
298L93.9Very high91Very high3 Ų359.1 Ų59.12%0.01631%0.307CS..Hα-helixtrans-58.4-41.2174.2-68.4168.1000111.1V245 V294 Y295 I301 V302 Y335 F337V245-L298 HydrophobicContact CG2-CD2 4.11Å; V294-L298 HydrophobicContact CG1-CD1 4.01Å; V294-L298 HydrophobicContact CG1-CG 4.35Å; V294-L298 VanDerWaalsContact O-CG 3.24Å; V294-L298 WeakPolarHBondContact O-CG 3.5Å; V294-L298 PolarHBondContact O-N 3.11Å; Y295-L298 HydrophobicContact CD1-CD1 4.25Å; Y295-L298 PolarHBondContact O-N 2.87Å; L298-I301 PolarHBondContact O-N 3.29Å; L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.45Å; L298-Y335 HydrophobicContact CD1-CD1 3.85Å; L298-Y335 HydrophobicContact CD1-CE1 3.48Å; L298-Y335 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y335 HydrophobicContact CD1-CE2 4.26Å; L298-Y335 HydrophobicContact CD1-CG 4.4Å; L298-Y335 HydrophobicContact CD2-CD1 4.19Å; L298-Y335 HydrophobicContact CD2-CD2 4.23Å; L298-Y335 HydrophobicContact CD2-CG 4.04Å; L298-F337 HydrophobicContact CD2-CE2 3.63Å; L298-F337 HydrophobicContact CD2-CZ 3.53Å
299H93.3Very high91Very high130 Ų13061.4 Ų61.460%0.60234%0.335SS*.Hα-helixtrans-63.5-41.9174.8-176-82.5000111.9Y295 D296 L297 V302 S303Y295-H299 WeakPolarHBondContact O-CB 3.46Å; Y295-H299 PolarHBondContact O-N 3.27Å; D296-H299 PolarHBondContact O-N 3.33Å; L297-H299 VanDerWaalsContact C-N 3.26Å; L297-H299 PolarHBondContact O-N 2.72Å; H299-V302 PolarHBondContact O-N 3.01Å; H299-S303 PolarHBondContact CE1-OG 3.34Å; H299-S303 PolarHBondContact ND1-OG 2.64Å; H299-S303 VanDerWaalsContact O-CB 3.28Å; H299-S303 WeakPolarHBondContact O-CB 3.42Å; H299-S303 PolarHBondContact O-N 3.03Å; H299-S303 PolarHBondContact O-OG 2.98Å
300C93.6Very high91.4Very high8 Ų853.2 Ų53.25%0.05430%0.297CS..Hα-helixtrans-60.8-46.3174.9-69.80000112.3L210 Y216 D296 L297 S303 D304L210-C300 HydrophobicContact CD2-CB 4Å; Y216-C300 PolarHBondContact OH-O 3.36Å; D296-C300 PolarHBondContact O-N 3.02Å; D296-C300 PolarHBondContact O-SG 2.8Å; L297-C300 WeakPolarHBondContact O-CB 3.25Å; L297-C300 PolarHBondContact O-N 2.94Å; L297-C300 VanDerWaalsContact O-N 3.14Å; C300-S303 PolarHBondContact O-N 3.03Å; C300-D304 PolarHBondContact O-N 3.34Å
301I93.9Very high91.8Very high0 Ų056.1 Ų56.10%031%0.313CS..Hα-helixtrans-62.3-46.5179.4-65.1162.9000110.7Y216 L220 I223 F285 L297 L298 S303 D304 L305 F337Y216-I301 HydrophobicContact CE2-CG1 3.88Å; Y216-I301 PolarHBondContact OH-N 2.89Å; L220-I301 HydrophobicContact CD1-CG2 4.36Å; I223-I301 HydrophobicContact CD1-CG2 4.01Å; F285-I301 HydrophobicContact CD1-CD1 4.44Å; F285-I301 HydrophobicContact CD2-CD1 3.9Å; F285-I301 HydrophobicContact CE1-CD1 4.15Å; F285-I301 HydrophobicContact CE1-CG1 4.44Å; F285-I301 HydrophobicContact CE2-CD1 3.57Å; F285-I301 HydrophobicContact CE2-CG1 4.45Å; F285-I301 HydrophobicContact CG-CD1 4.32Å; F285-I301 HydrophobicContact CZ-CD1 3.71Å; F285-I301 HydrophobicContact CZ-CG1 4.11Å; L297-I301 HydrophobicContact CD1-CD1 4.19Å; L297-I301 HydrophobicContact CD1-CG1 4.23Å; L297-I301 HydrophobicContact CG-CD1 4.08Å; L297-I301 WeakPolarHBondContact O-CG1 3.38Å; L297-I301 PolarHBondContact O-N 3.38Å; L298-I301 PolarHBondContact O-N 3.29Å; I301-S303 VanDerWaalsContact C-N 3.34Å; I301-S303 PolarHBondContact O-N 3.22Å; I301-D304 PolarHBondContact O-N 2.91Å; I301-L305 HydrophobicContact CG2-CD1 4.07Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.48Å; I301-L305 PolarHBondContact O-N 3.18Å; I301-F337 HydrophobicContact CB-CE1 4.43Å; I301-F337 HydrophobicContact CG2-CE1 3.73Å; I301-F337 HydrophobicContact CG2-CZ 4.16Å
302V94.9Very high92.2Very high44 Ų4449.7 Ų49.727%0.26728%0.275SS..Hα-helixtrans-64.4-39.7177.9172.80000111.1L298 H299 L305 A306 Q314 F337L298-V302 WeakPolarHBondContact O-CG2 3.49Å; L298-V302 PolarHBondContact O-N 3.45Å; H299-V302 PolarHBondContact O-N 3.01Å; V302-L305 PolarHBondContact O-N 2.93Å; V302-A306 WeakPolarHBondContact O-CB 3.31Å; V302-A306 PolarHBondContact O-N 2.89Å; V302-Q314 HydrophobicContact CG2-CG 4.44Å; V302-F337 HydrophobicContact CG2-CE1 4.06Å
303S92.9Very high92.5Very high31 Ų3152.6 Ų52.622%0.21729%0.287CS..Hα-helixtrans-63.6-46.1176.9-58.90000112.1H299 C300 I301 L305 A306 E307H299-S303 PolarHBondContact CE1-OG 3.34Å; H299-S303 PolarHBondContact ND1-OG 2.64Å; H299-S303 VanDerWaalsContact O-CB 3.28Å; H299-S303 WeakPolarHBondContact O-CB 3.42Å; H299-S303 PolarHBondContact O-N 3.03Å; H299-S303 PolarHBondContact O-OG 2.98Å; C300-S303 PolarHBondContact O-N 3.03Å; I301-S303 VanDerWaalsContact C-N 3.34Å; I301-S303 PolarHBondContact O-N 3.22Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.36Å; S303-A306 PolarHBondContact O-N 2.87Å; S303-E307 WeakPolarHBondContact O-CG 3.49Å; S303-E307 PolarHBondContact O-N 3.48Å
304D93.8Very high92.7Very high22 Ų2252.8 Ų52.812%0.11829%0.286CS..Hα-helixtrans-64.8-35.6177.5-80.5-44.4000113.2R206 Y216 L220 C300 I301 R308R206-D304 IonicContact CZ-OD1 3.65Å; R206-D304 IonicContact NH1-OD1 2.69Å; R206-D304 IonicContact NH2-OD1 3.59Å; R206-D304 PolarHBondContact NH2-OD1 2.86Å; R206-D304 IonicContact NH2-OD2 3.85Å; R206-D304 PolarHBondContact NH2-OD2 3.49Å; Y216-D304 VanDerWaalsContact CE1-OD2 3.28Å; Y216-D304 WeakPolarHBondContact CE1-OD2 3.24Å; Y216-D304 VanDerWaalsContact CZ-OD2 3.32Å; Y216-D304 PolarHBondContact OH-OD2 2.87Å; L220-D304 HydrophobicContact CD1-CB 4.16Å; L220-D304 HydrophobicContact CD2-CB 3.59Å; C300-D304 PolarHBondContact O-N 3.34Å; I301-D304 PolarHBondContact O-N 2.91Å; D304-R308 VanDerWaalsContact O-CG 3.3Å; D304-R308 WeakPolarHBondContact O-CG 3.3Å; D304-R308 PolarHBondContact O-N 3.45Å
305L93.2Very high92.9Very high0 Ų057.9 Ų57.90%031%0.308CS..Hα-helixtrans-66.7-42.6173.2-69.4172.4000110.4L220 I223 V224 I301 V302 S303 E307 R308 G309 I310 A312 I339L220-L305 HydrophobicContact CD1-CD2 3.94Å; L220-L305 HydrophobicContact CD1-CG 4.03Å; I223-L305 HydrophobicContact CG2-CD1 4.31Å; I223-L305 HydrophobicContact CG2-CD2 4.38Å; V224-L305 HydrophobicContact CG2-CD2 3.63Å; I301-L305 HydrophobicContact CG2-CD1 4.07Å; I301-L305 VanDerWaalsContact O-CG 3.28Å; I301-L305 WeakPolarHBondContact O-CG 3.48Å; I301-L305 PolarHBondContact O-N 3.18Å; V302-L305 PolarHBondContact O-N 2.93Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.36Å; L305-E307 PolarHBondContact O-N 3.41Å; L305-R308 CarbonylContact O-C 3.56Å; L305-R308 WeakPolarHBondContact O-CA 3.33Å; L305-R308 WeakPolarHBondContact O-CB 3.16Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 VanDerWaalsContact O-N 3.09Å; L305-G309 PolarHBondContact O-N 3.18Å; L305-I310 CarbonylContact C-O 3.52Å; L305-I310 HydrophobicContact CB-CB 4.28Å; L305-I310 HydrophobicContact CB-CG2 4.48Å; L305-I310 HydrophobicContact CD2-CD1 4.36Å; L305-I310 WeakPolarHBondContact O-CA 3.43Å; L305-I310 WeakPolarHBondContact O-CB 3.34Å; L305-I310 PolarHBondContact O-N 3.07Å; L305-A312 HydrophobicContact CB-CB 4.36Å; L305-A312 HydrophobicContact CD1-CB 3.65Å; L305-I339 HydrophobicContact CD1-CD1 4.08Å
306A92.2Very high93Very high61 Ų6153.9 Ų53.950%0.50430%0.302SS..Hα-helixtrans-64.1-39.1176.800000112.8V302 S303 R308 G309 I310V302-A306 WeakPolarHBondContact O-CB 3.31Å; V302-A306 PolarHBondContact O-N 2.89Å; S303-A306 PolarHBondContact O-N 2.87Å; A306-R308 PolarHBondContact O-N 3.12Å; A306-G309 WeakPolarHBondContact O-CA 3.28Å; A306-G309 PolarHBondContact O-N 3.46Å; A306-I310 WeakPolarHBondContact CA-O 3.33Å; A306-I310 PolarHBondContact N-O 3.31Å
307E90.2Very high93Very high118 Ų11854.1 Ų54.155%0.55130%0.302SS*.Hα-helixtrans-62.6-26.9172.9-74.1-177-178.100112.6S303 L305 G309S303-E307 WeakPolarHBondContact O-CG 3.49Å; S303-E307 PolarHBondContact O-N 3.48Å; L305-E307 PolarHBondContact O-N 3.41Å; E307-G309 VanDerWaalsContact C-N 3.28Å
308R90.3Very high92.7Very high114 Ų11455.7 Ų55.743%0.4332%0.318SS..THydrogen-bonded Turntrans-84.45.6171.5-64169.9-174.6-146.3-4.2113.5D304 L305 A306 I310D304-R308 VanDerWaalsContact O-CG 3.3Å; D304-R308 WeakPolarHBondContact O-CG 3.3Å; D304-R308 PolarHBondContact O-N 3.45Å; L305-R308 CarbonylContact O-C 3.56Å; L305-R308 WeakPolarHBondContact O-CA 3.33Å; L305-R308 WeakPolarHBondContact O-CB 3.16Å; L305-R308 PolarHBondContact O-N 3.19Å; L305-R308 VanDerWaalsContact O-N 3.09Å; A306-R308 PolarHBondContact O-N 3.12Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 HydrophobicContact CB-CD1 4.17Å; R308-I310 HydrophobicContact CB-CG1 4.32Å
309G89.1Confident92.4Very high62 Ų6259.1 Ų59.164%0.63934%0.339SS*.THydrogen-bonded Turntrans75.715.1-176.800000114.8L305 A306 E307L305-G309 PolarHBondContact O-N 3.18Å; A306-G309 WeakPolarHBondContact O-CA 3.28Å; A306-G309 PolarHBondContact O-N 3.46Å; E307-G309 VanDerWaalsContact C-N 3.28Å
310I92.4Very high91.8Very high11 Ų1153.3 Ų53.36%0.05631%0.313CS..  trans-104.5120.9-175.2-58.6172.2000109.1V224 L305 A306 R308 I339 W341V224-I310 HydrophobicContact CG1-CD1 4.19Å; V224-I310 HydrophobicContact CG2-CD1 3.91Å; L305-I310 CarbonylContact C-O 3.52Å; L305-I310 HydrophobicContact CB-CB 4.28Å; L305-I310 HydrophobicContact CB-CG2 4.48Å; L305-I310 HydrophobicContact CD2-CD1 4.36Å; L305-I310 WeakPolarHBondContact O-CA 3.43Å; L305-I310 WeakPolarHBondContact O-CB 3.34Å; L305-I310 PolarHBondContact O-N 3.07Å; A306-I310 WeakPolarHBondContact CA-O 3.33Å; A306-I310 PolarHBondContact N-O 3.31Å; R308-I310 VanDerWaalsContact C-N 3.33Å; R308-I310 HydrophobicContact CB-CD1 4.17Å; R308-I310 HydrophobicContact CB-CG1 4.32Å; I310-I339 HydrophobicContact CG2-CG2 3.41Å; I310-I339 VanDerWaalsContact CG2-CG2 3.41Å; I310-W341 HydrophobicContact CD1-CH2 3.74Å; I310-W341 HydrophobicContact CD1-CZ3 3.7Å; I310-W341 HydrophobicContact CG1-CE3 4.43Å; I310-W341 HydrophobicContact CG1-CH2 4.29Å; I310-W341 HydrophobicContact CG1-CZ3 3.83Å
311T93.6Very high91.1Very high88 Ų8858.6 Ų58.654%0.5434%0.341SS..EExtended strand (participates in β ladder)trans-82.6130175.4-56.70000110.3I339 T340T311-I339 WeakPolarHBondContact O-CA 3.33Å; T311-T340 PolarHBondContact N-O 3.13Å; T311-T340 PolarHBondContact O-N 2.94Å
312A94.4Very high90.2Very high12 Ų1264.4 Ų64.410%0.09937%0.366CS..EExtended strand (participates in β ladder)trans-134.6120.5-179.700000111.8L305 K338 I339L305-A312 HydrophobicContact CB-CB 4.36Å; L305-A312 HydrophobicContact CD1-CB 3.65Å; A312-K338 WeakPolarHBondContact CA-O 3.21Å; A312-I339 HydrophobicContact CB-CG1 4.11Å
313D93.8Very high89Confident81 Ų8166.9 Ų66.943%0.43337%0.374SS..EExtended strand (participates in β ladder)trans-93.4144.6167.1-49.4-50.6000108.9F337 K338D313-F337 CarbonylContact O-C 3.39Å; D313-F337 WeakPolarHBondContact O-CA 3.5Å; D313-K338 HydrophobicContact CB-CB 4.32Å; D313-K338 PolarHBondContact N-O 3.11Å; D313-K338 PolarHBondContact O-N 3.5Å; D313-K338 IonicContact OD2-NZ 3.06Å; D313-K338 PolarHBondContact OD2-NZ 3.06Å
314Q93.6Very high88Confident71 Ų7167.6 Ų67.633%0.33238%0.376SS..EExtended strand (participates in β ladder)trans-126.7142.8173.168.978.817.200111.8V302 E336 F337V302-Q314 HydrophobicContact CG2-CG 4.44Å; Q314-E336 WeakPolarHBondContact CA-O 3.32Å; Q314-F337 HydrophobicContact CB-CD1 4.17Å; Q314-F337 HydrophobicContact CB-CD2 4.04Å; Q314-F337 HydrophobicContact CB-CE1 3.95Å; Q314-F337 HydrophobicContact CB-CE2 3.82Å; Q314-F337 HydrophobicContact CB-CG 4.22Å; Q314-F337 HydrophobicContact CB-CZ 3.78Å; Q314-F337 HydrophobicContact CG-CZ 4.38Å
315Q94.6Very high86.6Confident132 Ų13269.4 Ų69.462%0.61738%0.384SS*.EExtended strand (participates in β ladder)trans-141.3135.6174179.6176.8200110.4I317 Y335 E336Q315-I317 PolarHBondContact O-N 3.25Å; Q315-Y335 CarbonylContact O-C 3.17Å; Q315-Y335 VanDerWaalsContact O-CA 3.31Å; Q315-Y335 WeakPolarHBondContact O-CA 3.47Å; Q315-E336 PolarHBondContact N-O 3.36Å; Q315-E336 PolarHBondContact O-N 3.47Å
316C92.9Very high84.8Confident66 Ų6675.5 Ų75.545%0.44642%0.417SS..EExtended strand (participates in β ladder)trans-67.6121.3168.7-172.80000109.9Y335C316-Y335 HydrophobicContact CB-CD1 3.9Å; C316-Y335 HydrophobicContact CB-CE1 3.65Å
317I92.3Very high83.3Confident83 Ų8378.7 Ų78.743%0.42642%0.421SS..EExtended strand (participates in β ladder)trans-99.9-3.8177.258.5166.5000113K242 Q315 I334 E336K242-I317 HydrophobicContact CD-CD1 4.45Å; K242-I317 HydrophobicContact CG-CD1 4.2Å; Q315-I317 PolarHBondContact O-N 3.25Å; I317-I334 HydrophobicContact CD1-CG2 3.88Å; I317-I334 HydrophobicContact CG1-CB 4.2Å; I317-I334 HydrophobicContact CG1-CG2 3.97Å; I317-I334 VanDerWaalsContact CG1-O 3.25Å; I317-I334 WeakPolarHBondContact CG1-O 3.32Å; I317-I334 PolarHBondContact N-O 3.2Å; I317-E336 HydrophobicContact CD1-CB 4.42Å; I317-E336 HydrophobicContact CG2-CB 3.57Å
318G88.4Confident82.1Confident32 Ų3276.1 Ų76.133%0.3341%0.407SS..EExtended strand (participates in β ladder)trans137.6-154.317600000112.2I334G318-I334 PolarHBondContact O-N 3.06Å
319V86.1Confident81.1Confident75 Ų7574.6 Ų74.646%0.45540%0.402SS..EExtended strand (participates in β ladder)trans-117.4156.7172.9-66.80000109.4K331 R332V319-K331 WeakPolarHBondContact CG1-O 3.06Å; V319-K331 HydrophobicContact CG2-CD 3.95Å; V319-R332 CarbonylContact C-O 3.45Å; V319-R332 WeakPolarHBondContact CA-O 3.45Å
320C82.4Confident80.5Confident9 Ų972 Ų726%0.06137%0.374CS..  trans-57.7151.8163.3-164.30000110.1C330 R332 I334C320-C330 CarbonylContact C-O 3.57Å; C320-C330 HydrophobicContact CB-CB 3.94Å; C320-C330 CarbonylContact O-C 3.53Å; C320-R332 PolarHBondContact N-O 3.21Å; C320-I334 HydrophobicContact CB-CD1 4.03Å
321D78.1Confident79.9Confident119 Ų11974.2 Ų74.264%0.63638%0.383SS*.  trans-134.410.118066.1-20.2000112.4H323 Y329D321-H323 PolarHBondContact O-N 3.01Å; D321-Y329 WeakPolarHBondContact O-CD1 3.14Å
322K75.5Confident79.6Confident122 Ų12271.9 Ų71.953%0.5336%0.364SS..  trans-63.6125.4-179.7-179.3150161.7-167.30110.6C330K322-C330 PolarHBondContact O-N 2.87Å
323H69.5Low79.3Confident95 Ų9573 Ų7344%0.4437%0.371SS..BIsolated β-bridgetrans-65.1136.5176.2-171.7-79.9000110.5D321 Y329D321-H323 PolarHBondContact O-N 3.01Å; H323-Y329 HydrophobicContact CB-CD1 4.28Å; H323-Y329 HydrophobicContact CB-CE1 4.14Å; H323-Y329 AromaticContact CD2-CE1 3.75Å; H323-Y329 AromaticContact CD2-CZ 3.84Å
324L71.1Confident79.3Confident47 Ų4770 Ų7025%0.24635%0.354CS..  trans-101.1-108.4175.5-55.4174.7000108.1H277 Y328H277-L324 HydrophobicContact CB-CD2 3.43Å; H277-L324 VanDerWaalsContact CB-CD2 3.43Å; L324-Y328 WeakPolarHBondContact CB-O 3.4Å; L324-Y328 PolarHBondContact N-O 3.02Å
325I65.7Low79.3Confident59 Ų5967.2 Ų67.230%0.30334%0.341SS..SBendtrans-132.7154.1-178.5-62.6172.6000107.8L274 H327 Y328L274-I325 HydrophobicContact CB-CD1 3.94Å; L274-I325 HydrophobicContact CD2-CD1 4.37Å; I325-H327 PolarHBondContact O-N 3.17Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 WeakPolarHBondContact O-CD2 3.27Å; I325-Y328 PolarHBondContact O-N 3.11Å
326N55.5Low79.4Confident128 Ų12863 Ų6368%0.68432%0.322SS*.THydrogen-bonded Turntrans48.548.1170.6-64.4-13.3000115.5Y328N326-Y328 HydrophobicContact CB-CD2 4.35Å; N326-Y328 HydrophobicContact CB-CE2 4.36Å; N326-Y328 PolarHBondContact O-N 3.29Å
327H59Low79.6Confident128 Ų12859.9 Ų59.959%0.59330%0.3SS*.THydrogen-bonded Turntrans6510-177.6-49.5-74.8000116.1I325 Y329I325-H327 PolarHBondContact O-N 3.17Å; H327-Y329 VanDerWaalsContact O-CD2 3.28Å; H327-Y329 WeakPolarHBondContact O-CD2 3.3Å; H327-Y329 WeakPolarHBondContact O-CE2 3.33Å
328Y64.8Low79.7Confident65 Ų6559.5 Ų59.526%0.25530%0.296SS..  trans-80.4137.7170.9-61.4-58.6000111.4I252 L324 I325 N326I252-Y328 HydrophobicContact CG2-CD1 3.32Å; I252-Y328 HydrophobicContact CG2-CE1 3.39Å; I252-Y328 HydrophobicContact CG2-CG 4.24Å; L324-Y328 WeakPolarHBondContact CB-O 3.4Å; L324-Y328 PolarHBondContact N-O 3.02Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 WeakPolarHBondContact O-CD2 3.27Å; I325-Y328 PolarHBondContact O-N 3.11Å; N326-Y328 HydrophobicContact CB-CD2 4.35Å; N326-Y328 HydrophobicContact CB-CE2 4.36Å; N326-Y328 PolarHBondContact O-N 3.29Å
329Y70.3Confident80Confident81 Ų8158 Ų5832%0.31828%0.28SS..BIsolated β-bridgetrans-118.5146.2175.1-63.5-89.8000108.4D321 H323 H327D321-Y329 WeakPolarHBondContact O-CD1 3.14Å; H323-Y329 HydrophobicContact CB-CD1 4.28Å; H323-Y329 HydrophobicContact CB-CE1 4.14Å; H323-Y329 AromaticContact CD2-CE1 3.75Å; H323-Y329 AromaticContact CD2-CZ 3.84Å; H327-Y329 VanDerWaalsContact O-CD2 3.28Å; H327-Y329 WeakPolarHBondContact O-CD2 3.3Å; H327-Y329 WeakPolarHBondContact O-CE2 3.33Å
330C76.6Confident80.3Confident9 Ų955.4 Ų55.46%0.06126%0.264CS..  trans-60.4146159.4-167.20000109H277 C320 K322H277-C330 PolarHBondContact CD2-SG 2.77Å; H277-C330 WeakPolarHBondContact NE2-CB 3.43Å; C320-C330 CarbonylContact C-O 3.57Å; C320-C330 HydrophobicContact CB-CB 3.94Å; C320-C330 CarbonylContact O-C 3.53Å; K322-C330 PolarHBondContact O-N 2.87Å
331K80.7Confident80.2Confident56 Ų5657.8 Ų57.824%0.24327%0.272CS..  trans-136.122.8172.7-66.2-64.2172.6-161.50112.7P251 T253 V319P251-K331 HydrophobicContact CG-CB 4.4Å; T253-K331 HydrophobicContact CG2-CG 3.98Å; V319-K331 WeakPolarHBondContact CG1-O 3.06Å; V319-K331 HydrophobicContact CG2-CD 3.95Å
332R85.9Confident79.9Confident39 Ų3961.7 Ų61.715%0.14728%0.278CS..  trans-65.6132.4178.4-69176.1176.6156.10110.4C244 Y246 E249 P251 H277 V319 C320C244-R332 VanDerWaalsContact SG-CB 3.52Å; Y246-R332 HydrophobicContact CD1-CG 4.25Å; Y246-R332 HydrophobicContact CG-CG 4.04Å; E249-R332 PolarHBondContact O-NH2 3.49Å; P251-R332 HydrophobicContact CG-CG 4.42Å; H277-R332 PolarHBondContact O-NH1 3.24Å; V319-R332 CarbonylContact C-O 3.45Å; V319-R332 WeakPolarHBondContact CA-O 3.45Å; C320-R332 PolarHBondContact N-O 3.21Å
333P89.1Confident80.2Confident35 Ų3558.7 Ų58.723%0.22727%0.265CS..EExtended strand (participates in β ladder)trans-61.3139.3176.2-25.335.4000113.1C244 V245 Y335C244-P333 WeakPolarHBondContact CA-O 3.33Å; V245-P333 PolarHBondContact N-O 2.94Å; P333-Y335 HydrophobicContact CB-CE2 3.71Å
334I92.5Very high80.7Confident18 Ų1856.8 Ų56.89%0.09226%0.256CS..EExtended strand (participates in β ladder)trans-120.2127.2175.7-53.2177.8000109K242 V281 I317 G318 C320K242-I334 HydrophobicContact CB-CG2 4.09Å; V281-I334 HydrophobicContact CG1-CD1 4.05Å; V281-I334 HydrophobicContact CG1-CG1 4.14Å; V281-I334 HydrophobicContact CG1-CG2 3.86Å; I317-I334 HydrophobicContact CD1-CG2 3.88Å; I317-I334 HydrophobicContact CG1-CB 4.2Å; I317-I334 HydrophobicContact CG1-CG2 3.97Å; I317-I334 VanDerWaalsContact CG1-O 3.25Å; I317-I334 WeakPolarHBondContact CG1-O 3.32Å; I317-I334 PolarHBondContact N-O 3.2Å; G318-I334 PolarHBondContact O-N 3.06Å; C320-I334 HydrophobicContact CB-CD1 4.03Å
335Y95.3Very high81.2Confident13 Ų1357.3 Ų57.35%0.05126%0.257CS..EExtended strand (participates in β ladder)trans-109.1135.6177.8-63.9-92.1000109.8K242 I243 V245 V294 L298 Q315 C316 P333K242-Y335 CarbonylContact C-O 3.56Å; K242-Y335 WeakPolarHBondContact CA-O 3.44Å; I243-Y335 PolarHBondContact N-O 2.83Å; I243-Y335 PolarHBondContact O-N 3.32Å; V245-Y335 HydrophobicContact CB-CD2 4.12Å; V245-Y335 HydrophobicContact CB-CE2 4.06Å; V245-Y335 HydrophobicContact CG2-CD2 4.04Å; V245-Y335 HydrophobicContact CG2-CE2 4.45Å; V294-Y335 HydrophobicContact CG1-CE2 3.83Å; V294-Y335 VanDerWaalsContact CG1-OH 3.31Å; V294-Y335 WeakPolarHBondContact CG1-OH 3.49Å; L298-Y335 HydrophobicContact CD1-CD1 3.85Å; L298-Y335 HydrophobicContact CD1-CE1 3.48Å; L298-Y335 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y335 HydrophobicContact CD1-CE2 4.26Å; L298-Y335 HydrophobicContact CD1-CG 4.4Å; L298-Y335 HydrophobicContact CD2-CD1 4.19Å; L298-Y335 HydrophobicContact CD2-CD2 4.23Å; L298-Y335 HydrophobicContact CD2-CG 4.04Å; Q315-Y335 CarbonylContact O-C 3.17Å; Q315-Y335 VanDerWaalsContact O-CA 3.31Å; Q315-Y335 WeakPolarHBondContact O-CA 3.47Å; C316-Y335 HydrophobicContact CB-CD1 3.9Å; C316-Y335 HydrophobicContact CB-CE1 3.65Å; P333-Y335 HydrophobicContact CB-CE2 3.71Å
336E96.1Very high82.2Confident45 Ų4557.2 Ų57.221%0.2125%0.254CS..EExtended strand (participates in β ladder)trans-88.3121.7164.9-171.2-177.281.800109K240 L241 Q314 Q315 I317K240-E336 HydrophobicContact CB-CG 4.37Å; K240-E336 WeakPolarHBondContact CD-OE2 3.35Å; K240-E336 WeakPolarHBondContact CE-OE1 3.31Å; K240-E336 HydrophobicContact CG-CG 4.43Å; K240-E336 IonicContact NZ-OE1 3.39Å; K240-E336 PolarHBondContact NZ-OE1 2.96Å; K240-E336 IonicContact NZ-OE2 2.72Å; K240-E336 PolarHBondContact NZ-OE2 3.22Å; K240-E336 VanDerWaalsContact NZ-OE2 3.12Å; L241-E336 CarbonylContact O-C 3.44Å; L241-E336 VanDerWaalsContact O-CA 3.32Å; L241-E336 WeakPolarHBondContact O-CA 3.49Å; Q314-E336 WeakPolarHBondContact CA-O 3.32Å; Q315-E336 PolarHBondContact N-O 3.36Å; Q315-E336 PolarHBondContact O-N 3.47Å; I317-E336 HydrophobicContact CD1-CB 4.42Å; I317-E336 HydrophobicContact CG2-CB 3.57Å
337F96.4Very high83.8Confident0 Ų052.8 Ų52.80%023%0.227CC..EExtended strand (participates in β ladder)trans-99.3123.3171-85.3-111.2000109.4K240 L241 I243 L298 I301 V302 D313 Q314K240-F337 CarbonylContact C-O 3.5Å; K240-F337 WeakPolarHBondContact CA-O 3.28Å; L241-F337 PolarHBondContact N-O 2.92Å; L241-F337 PolarHBondContact O-N 3.36Å; I243-F337 HydrophobicContact CB-CD2 3.99Å; I243-F337 HydrophobicContact CB-CE2 4.14Å; I243-F337 HydrophobicContact CD1-CB 4.12Å; I243-F337 HydrophobicContact CD1-CD1 4.2Å; I243-F337 HydrophobicContact CD1-CD2 3.54Å; I243-F337 HydrophobicContact CD1-CE2 3.91Å; I243-F337 HydrophobicContact CD1-CG 3.69Å; I243-F337 HydrophobicContact CD1-CZ 4.38Å; I243-F337 HydrophobicContact CG1-CB 4.5Å; I243-F337 HydrophobicContact CG1-CD2 3.8Å; I243-F337 HydrophobicContact CG1-CE2 4.32Å; I243-F337 HydrophobicContact CG1-CG 4.28Å; L298-F337 HydrophobicContact CD2-CE2 3.63Å; L298-F337 HydrophobicContact CD2-CZ 3.53Å; I301-F337 HydrophobicContact CB-CE1 4.43Å; I301-F337 HydrophobicContact CG2-CE1 3.73Å; I301-F337 HydrophobicContact CG2-CZ 4.16Å; V302-F337 HydrophobicContact CG2-CE1 4.06Å; D313-F337 CarbonylContact O-C 3.39Å; D313-F337 WeakPolarHBondContact O-CA 3.5Å; Q314-F337 HydrophobicContact CB-CD1 4.17Å; Q314-F337 HydrophobicContact CB-CD2 4.04Å; Q314-F337 HydrophobicContact CB-CE1 3.95Å; Q314-F337 HydrophobicContact CB-CE2 3.82Å; Q314-F337 HydrophobicContact CB-CG 4.22Å; Q314-F337 HydrophobicContact CB-CZ 3.78Å; Q314-F337 HydrophobicContact CG-CZ 4.38Å
338K95.5Very high85.5Confident75 Ų7547.8 Ų47.833%0.32620%0.203SC..EExtended strand (participates in β ladder)trans-103.9102.3173.9175.2-177.9152.3-113.90108.7F238 A239 A312 D313F238-K338 HydrophobicContact CB-CG 4.44Å; F238-K338 HydrophobicContact CD2-CG 4.24Å; A239-K338 WeakPolarHBondContact O-CA 3.35Å; A312-K338 WeakPolarHBondContact CA-O 3.21Å; D313-K338 HydrophobicContact CB-CB 4.32Å; D313-K338 PolarHBondContact N-O 3.11Å; D313-K338 PolarHBondContact O-N 3.5Å; D313-K338 IonicContact OD2-NZ 3.06Å; D313-K338 PolarHBondContact OD2-NZ 3.06Å
339I94.6Very high87Confident1 Ų146.6 Ų46.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-96.8130.4-176.5-67.4-177.1000109.8I223 A227 F238 A239 L241 L305 I310 T311 A312 W341I223-I339 HydrophobicContact CG2-CD1 3.27Å; A227-I339 HydrophobicContact CB-CB 4.1Å; A227-I339 HydrophobicContact CB-CD1 3.96Å; A227-I339 HydrophobicContact CB-CG2 3.83Å; F238-I339 CarbonylContact C-O 3.56Å; F238-I339 WeakPolarHBondContact CA-O 3.4Å; F238-I339 WeakPolarHBondContact CB-O 3.48Å; A239-I339 PolarHBondContact N-O 3.04Å; A239-I339 PolarHBondContact O-N 2.98Å; L241-I339 HydrophobicContact CD1-CD1 4.11Å; L241-I339 HydrophobicContact CD1-CG1 4.5Å; L305-I339 HydrophobicContact CD1-CD1 4.08Å; I310-I339 HydrophobicContact CG2-CG2 3.41Å; I310-I339 VanDerWaalsContact CG2-CG2 3.41Å; T311-I339 WeakPolarHBondContact O-CA 3.33Å; A312-I339 HydrophobicContact CB-CG1 4.11Å; I339-W341 HydrophobicContact CG2-CZ2 4.27Å
340T92.3Very high88.3Confident20 Ų2043.9 Ų43.912%0.12319%0.19CC..EExtended strand (participates in β ladder)trans-125.4134.7-172.5-530000110.3R237 T311R237-T340 HydrophobicContact CG-CG2 4.06Å; T311-T340 PolarHBondContact N-O 3.13Å; T311-T340 PolarHBondContact O-N 2.94Å
341W79.4Confident89.2Confident58 Ų5846.8 Ų46.822%0.2220%0.201CC..  trans-103.3-30.4-163.6-73.8104.8000116.7V224 A227 K228 R237 I310 I339V224-W341 HydrophobicContact CG1-CH2 4.18Å; A227-W341 HydrophobicContact CB-CZ2 3.77Å; A227-W341 PolarHBondContact O-NE1 3.21Å; K228-W341 HydrophobicContact CB-CZ2 4.18Å; K228-W341 HydrophobicContact CD-CH2 4.03Å; K228-W341 VanDerWaalsContact CE-CH2 3.5Å; K228-W341 HydrophobicContact CG-CH2 3.3Å; K228-W341 HydrophobicContact CG-CZ2 3.34Å; K228-W341 HydrophobicContact CG-CZ3 4.06Å; R237-W341 PolarHBondContact O-N 3.4Å; R237-W341 VanDerWaalsContact O-N 3.15Å; I310-W341 HydrophobicContact CD1-CH2 3.74Å; I310-W341 HydrophobicContact CD1-CZ3 3.7Å; I310-W341 HydrophobicContact CG1-CE3 4.43Å; I310-W341 HydrophobicContact CG1-CH2 4.29Å; I310-W341 HydrophobicContact CG1-CZ3 3.83Å; I339-W341 HydrophobicContact CG2-CZ2 4.27Å
342W72.9Confident90Very high202 Ų20246 Ų4677%0.76520%0.197SC*.  trans-152.30175.560.289.3000107.2R237R237-W342 HydrophobicContact CB-CZ2 4.34Å; R237-W342 WeakPolarHBondContact CG-O 3.45Å; R237-W342 PolarHBondContact NE-O 3.14Å; R237-W342 PolarHBondContact NH2-O 2.94Å; R237-W342 PolarHBondContact NH2-OXT 3.5Å

Retrieved 342 of 342 residues in 285.6 ms (Link to these results)