A0A060X014_ONCMY Loading...

Sodium/potassium-transporting ATPase subunit beta

This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A060X014, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 346 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low31.4Very low250 Ų250134.3 Ų134.3100%1.23285%0.845SS**  086.70-101.5159.4166.600107.2
2E37.6Very low31.2Very low184 Ų184136.5 Ų136.586%0.8684%0.837SS**  trans-81.7157.6147.7-61.7-177.8123.600107.3
3P40.1Very low30.8Very low119 Ų119138.5 Ų138.577%0.77383%0.831SS**  -135149.681.6202.8000113.3
4N28.1Very low30.6Very low144 Ų144139.2 Ų139.277%0.7782%0.821SS**  70.210569.6-132.426.5000112.9
5C29.2Very low30.3Very low108 Ų108141.9 Ų141.973%0.7382%0.822SS**  74.5125.988.6-74.60000117.2
6T30.8Very low30Very low143 Ų143137.1 Ų137.188%0.87781%0.812SS**  trans-165.5118141.417.30000106.2
7A29.9Very low29.7Very low106 Ų106138.6 Ų138.688%0.87682%0.816SS**  cis9012937.800000114.8
8G26.4Very low29.6Very low80 Ų80143.2 Ų143.283%0.82582%0.819SS**  trans129.499.5173.800000110.4
9G25.9Very low29.5Very low83 Ų83141.1 Ų141.186%0.85681%0.813SS**  cis76.5119.744.700000108.5
10A29.1Very low29.9Very low79 Ų79139.6 Ų139.665%0.65381%0.809SS**  cis-161.6144.635.900000109.9
11E29.6Very low29.8Very low181 Ų181140.3 Ų140.385%0.84681%0.81SS**  80.6133.7105.5-76.1175.2164.900113
12E28.7Very low29.6Very low161 Ų161133.7 Ų133.775%0.75279%0.785SS**  cis-157.2138.631.5-108.8162.7175.100108.3
13E25.7Very low29.2Very low162 Ų162130.7 Ų130.776%0.75779%0.785SS**  58138.798.2-69.6-158.9150.400115.4
14H27.8Very low28.6Very low149 Ų149129.5 Ų129.569%0.6979%0.785SS**  cis-162.8156.219.2-148.2-77.4000110.8
15H26.2Very low28.6Very low179 Ų179131.1 Ų131.183%0.82979%0.788SS**  trans-44.6160.1168.3-68.2-78.3000115.5
16G25.6Very low28.5Very low65 Ų65132.6 Ų132.667%0.6779%0.793SS**  cis164.2-167.79.700000109.5
17N26Very low28.5Very low164 Ų164130.1 Ų130.188%0.87779%0.788SS**  trans89.8106.5165.8-67-9.9000121
18Y27.3Very low28.7Very low220 Ų220131 Ų13186%0.86379%0.785SS**  48.9113.7112.9-134.1-94.8000119.3
19S28.6Very low28.8Very low103 Ų103130.5 Ų130.572%0.7278%0.779SS**  trans-92.7151.1159.5-110.20000109.5
20P35.6Very low29Very low112 Ų112136.7 Ų136.773%0.72778%0.782SS**  -145.3161.878.532.3-11.4000117.2
21N29.6Very low29Very low154 Ų154142.3 Ų142.382%0.82480%0.795SS**  trans-29.5152175-96.1-4.1000118.5
22P34.4Very low29Very low111 Ų111138 Ų13872%0.72179%0.791SS**  -147.6159.8106.637-19.5000117.1
23S28Very low29.2Very low122 Ų122137.4 Ų137.485%0.85380%0.797SS**  trans71.4138.7142.2-56.40000123.4
24A27.3Very low29.4Very low93 Ų93134 Ų13477%0.76980%0.797SS**  trans-86.8153.1176.900000113.2
25E28.1Very low29.5Very low179 Ų179136 Ų13684%0.83681%0.807SS**  162.5116.9125.2-88.5-173.7157.500110.6
26V29.1Very low29.9Very low138 Ų138131.9 Ų131.984%0.83680%0.804SS**  81120.7110.5-178.60000115.4
27A30.7Very low30.2Very low92 Ų92135.7 Ų135.776%0.7681%0.808SS**  trans-92169.4-172.700000113.8
28P34.2Very low30.4Very low125 Ų125135.5 Ų135.581%0.81280%0.802SS**  trans-105.4162.9-156.939.2-32.5000115.5
29G27.3Very low30.6Very low69 Ų69133.5 Ų133.571%0.71180%0.8SS**  83.5103128.600000119.1
30K29.8Very low31Very low212 Ų212135.2 Ų135.292%0.92281%0.806SS**  trans-132.693.5148.2-75.4-172.1178.9-179.40109.8
31H29.5Very low30.8Very low197 Ų197138.7 Ų138.791%0.91281%0.813SS**  trans-84.5115.1154.9-86.6-86.6000107.6
32A30.1Very low31.2Very low92 Ų92140.5 Ų140.576%0.7682%0.816SS**  trans170.381.7151.400000108.6
33V33Very low31.3Very low147 Ų147144.4 Ų144.489%0.89183%0.825SS**  trans-160.185.8136.1-174.60000105.5
34A28.8Very low31.7Very low92 Ų92146.9 Ų146.976%0.7683%0.827SS**  trans-101.9109160.300000105.6
35E31.1Very low32.2Very low189 Ų189149.7 Ų149.788%0.88383%0.828SS**  trans16795.1150.3-99.4177.1156.100110.4
36A33.8Very low32.6Very low93 Ų93150 Ų15077%0.76983%0.83SS**  trans17890152.200000104.7
37L32Very low33.1Very low145 Ų145152.3 Ų152.376%0.75983%0.831SS**  31.3124.287.6-102.4100.8000111.8
38E31Very low33.8Very low160 Ų160156.7 Ų156.775%0.74884%0.836SS**  cis-174.3165.74.7-138.7172.1-17500105.2
39E31.5Very low34.5Very low179 Ų179156.4 Ų156.484%0.83683%0.834SS**  trans76.4108.5169-57.7-176.1155.500118.7
40V36.6Very low35.7Very low139 Ų139161.2 Ų161.284%0.84284%0.842SS**  -172.598.7110.9172.10000109
41Q31.8Very low36.9Very low184 Ų184159.7 Ų159.786%0.8684%0.838SS**  trans43.6111.8137.2-143.7122.914.600121.3
42E37.3Very low38.2Very low192 Ų192158.4 Ų158.490%0.89783%0.833SS**  trans-66.3136.9155.5-77.3171.1131.400111.4
43E36.7Very low39.4Very low193 Ų193162.9 Ų162.990%0.90284%0.838SS**  trans-133.8125.5157.8-125.1-178.3-172.800110.2
44L36.7Very low40.4Very low174 Ų174162.6 Ų162.691%0.91183%0.832SS**  trans-90.3129.7-171.8-175.275000109.7
45I37.9Very low41.8Very low152 Ų152164 Ų16478%0.77983%0.825SS**  trans-118.5122.1173.9-60.4173.7000110
46E35.3Very low43.2Very low186 Ų186160.3 Ų160.387%0.86981%0.812SS**PPolyproline II helixtrans-87139.2179.5-168.7173.4-17600111
47H40Very low44.3Very low186 Ų186163.3 Ų163.386%0.86181%0.808SS**PPolyproline II helixtrans-98130.4178.3-75.7-71.7000112
48Q46.4Very low45.8Very low185 Ų185162.7 Ų162.786%0.86480%0.801SS**PPolyproline II helixtrans-95.3144.6176.4-164.2167.13.900111.4
49P49Very low47.3Very low118 Ų118163.5 Ų163.577%0.76680%0.802SS**PPolyproline II helixtrans-90.6149.2-174.733.2-28.6000113.8
50L52.3Low48.7Very low170 Ų170164.7 Ų164.789%0.8980%0.799SS**PPolyproline II helixtrans-81.2140.2-178.4-78.8157.8000113.2
51E55.2Low49.8Very low181 Ų181164.6 Ų164.685%0.84679%0.787SS**PPolyproline II helixtrans-85.2162.5179.4-75.2-170.9135.800114.9E53E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 2.76Å
52Q56.1Low51.4Low170 Ų170161.8 Ų161.879%0.79479%0.785SS**G310 helixtrans-77.422.3-157.9-154.1138.4-9.100117.4L55Q52-L55 HydrophobicContact CG-CD1 4.16Å
53E55.7Low52.9Low185 Ų185161.9 Ų161.986%0.86478%0.782SS**G310 helixtrans-83.8-5.5-175.8-69.4-162.415000115.1E51 L55E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 2.76Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 3.25Å
54D52.4Low54.2Low142 Ų142158.6 Ų158.676%0.75978%0.778SS**G310 helixtrans-80.1-1-177.5-73.2-31.4000115.3
55L58.1Low55.4Low120 Ų120159.6 Ų159.663%0.62878%0.775SS**G310 helixtrans-91.75.1-172.5-70.9170000115.4Q52 E53 F57Q52-L55 HydrophobicContact CG-CD1 4.16Å; E53-L55 VanDerWaalsContact C-N 3.31Å; E53-L55 PolarHBondContact O-N 3.25Å; L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 3.27Å
56N61.8Low56.9Low112 Ų112157.9 Ų157.960%0.59977%0.774SS**  trans-82.274.8179.2-155.6-15.4000112.7E58 K59N56-E58 PolarHBondContact O-N 2.99Å; N56-K59 PolarHBondContact O-N 3.34Å
57F57.3Low58.3Low157 Ų157159.1 Ų159.169%0.68978%0.776SS**G310 helixtrans-65.9-11.8-178.4-91.7-92.7000115.2L55 K59L55-F57 VanDerWaalsContact C-N 3.32Å; L55-F57 PolarHBondContact O-N 3.27Å; F57-K59 VanDerWaalsContact C-N 3.34Å
58E62.4Low59.6Low132 Ų132157.8 Ų157.862%0.61776%0.764SS**G310 helixtrans-75.4-24.1-179.9-63.8-133.2114.900113.4N56 W60 K61N56-E58 PolarHBondContact O-N 2.99Å; E58-W60 PolarHBondContact O-N 3.46Å; E58-K61 PolarHBondContact O-N 3.42Å; E58-K61 IonicContact OE1-NZ 2.87Å; E58-K61 PolarHBondContact OE1-NZ 3.49Å
59K62.2Low60.9Low177 Ų177152.7 Ų152.777%0.7775%0.745SS**G310 helixtrans-63.9-24.2177.7-169.6173.7-179.8-179.30112.8N56 F57N56-K59 PolarHBondContact O-N 3.34Å; F57-K59 VanDerWaalsContact C-N 3.34Å
60W61.4Low62.1Low204 Ų204154.1 Ų154.177%0.77375%0.746SS**G310 helixtrans-98.83.5-173.3-57.4100.6000114E58 P62E58-W60 PolarHBondContact O-N 3.46Å; W60-P62 WeakPolarHBondContact O-CD 3.44Å
61K60.3Low63.1Low136 Ų136153.2 Ų153.259%0.59174%0.736SS**  trans-69.2113.6176.8-73.8178.7-178.6167.10109.8E58 K63E58-K61 PolarHBondContact O-N 3.42Å; E58-K61 IonicContact OE1-NZ 2.87Å; E58-K61 PolarHBondContact OE1-NZ 3.49Å; K61-K63 PolarHBondContact O-N 3.41Å
62P65.4Low64Low126 Ų126149.1 Ų149.182%0.81872%0.717SS**PPolyproline II helixtrans-67.2124.1-179.525.9-31.1000109.8W60W60-P62 WeakPolarHBondContact O-CD 3.44Å
63K68.3Low65Low193 Ų193146.5 Ų146.584%0.83970%0.703SS**PPolyproline II helixtrans-60.1141.2177.4-67.1-179.5179.8179.30110.6K61 K65K61-K63 PolarHBondContact O-N 3.41Å; K63-K65 PolarHBondContact O-N 3.43Å
64P64.8Low66Low125 Ų125140.6 Ų140.681%0.81269%0.686SS**PPolyproline II helixtrans-64.7125178.925.2-32.2000110.5
65K61.3Low67.1Low194 Ų194139.6 Ų139.684%0.84368%0.675SS**PPolyproline II helixtrans-65.8133.4178.5-64.3-177.3-178.6179.90109.5K63K63-K65 PolarHBondContact O-N 3.43Å
66P69.8Low67.9Low116 Ų116137.1 Ų137.175%0.75366%0.663SS**PPolyproline II helixtrans-61.8144.3-18024.7-33000111.5R68P66-R68 PolarHBondContact O-N 3.33Å
67K64.1Low68.6Low212 Ų212136.4 Ų136.492%0.92266%0.662SS**  trans-71.4109.9178.5-69.2-176.7-178.9178.80109.6
68R66.3Low69.6Low159 Ų159136.2 Ų136.260%0.666%0.661SS**  trans-63.8136.5-179.7-60.9-173.7-177.4-177.82.3112.3P66 K73 D76P66-R68 PolarHBondContact O-N 3.33Å; R68-K73 HydrophobicContact CB-CG 4.3Å; R68-D76 IonicContact CZ-OD2 2.66Å; R68-D76 IonicContact NH1-OD2 3.49Å; R68-D76 PolarHBondContact NH1-OD2 2.75Å
69T75.1Confident70.1Confident77 Ų77132.3 Ų132.347%0.47265%0.646SS.*  trans-70.6155.7175.862.60000111.5H71 E72 K73T69-H71 PolarHBondContact O-N 2.83Å; T69-E72 PolarHBondContact N-OE2 2.96Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.23Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE2 3.46Å; T69-K73 PolarHBondContact O-N 2.95Å; T69-K73 VanDerWaalsContact O-N 3.13Å
70L73.8Confident70.8Confident149 Ų149131 Ų13178%0.7864%0.637SS**Hα-helixtrans-60-32.9-179.1-81.7168.2000112.8K73 A74L70-K73 PolarHBondContact O-N 3.05Å; L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 2.71Å
71H73.3Confident71.6Confident150 Ų150125.5 Ų125.569%0.69462%0.623SS**Hα-helixtrans-69.3-40.8177.8-172.1-87.6000112.1T69 K73 A74 F75T69-H71 PolarHBondContact O-N 2.83Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.18Å; H71-A74 PolarHBondContact O-N 3Å; H71-F75 WeakPolarHBondContact O-CB 3.23Å; H71-F75 PolarHBondContact O-N 3.2Å
72E74.9Confident72.5Confident95 Ų95126 Ų12644%0.44462%0.621SS.*Hα-helixtrans-63.5-39.3173.7-72.1164.9148.600111.3T69 F75 D76T69-E72 PolarHBondContact N-OE2 2.96Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 VanDerWaalsContact OG1-CG 3.23Å; T69-E72 WeakPolarHBondContact OG1-CG 3.38Å; T69-E72 PolarHBondContact OG1-OE2 3.46Å; E72-F75 PolarHBondContact O-N 3.15Å; E72-D76 WeakPolarHBondContact O-CB 3.47Å; E72-D76 PolarHBondContact O-N 2.95Å
73K76.6Confident73.2Confident116 Ų116121.7 Ų121.750%0.50459%0.591SS.*Hα-helixtrans-64.9-42.6174.6-67.1178.9-178.1-179.90112.2R68 T69 L70 H71 D76 V77R68-K73 HydrophobicContact CB-CG 4.3Å; T69-K73 PolarHBondContact O-N 2.95Å; T69-K73 VanDerWaalsContact O-N 3.13Å; L70-K73 PolarHBondContact O-N 3.05Å; H71-K73 VanDerWaalsContact C-N 3.33Å; H71-K73 PolarHBondContact O-N 3.18Å; K73-D76 PolarHBondContact O-N 2.84Å; K73-V77 WeakPolarHBondContact O-CG2 3.46Å; K73-V77 PolarHBondContact O-N 3.48Å
74A76.5Confident73.4Confident61 Ų61116 Ų11650%0.50458%0.58SS.*Hα-helixtrans-67.2-37.8178.300000112.1L70 H71 V77 K78L70-A74 WeakPolarHBondContact O-CB 3.13Å; L70-A74 PolarHBondContact O-N 2.71Å; H71-A74 PolarHBondContact O-N 3Å; A74-V77 PolarHBondContact O-N 2.85Å; A74-K78 WeakPolarHBondContact O-CB 2.98Å; A74-K78 PolarHBondContact O-N 3.37Å
75F75.8Confident73.8Confident120 Ų120118.8 Ų118.853%0.52658%0.582SS.*Hα-helixtrans-66.3-44.5173.7-173.8-94.8000111.5H71 E72 V77 K78 T79H71-F75 WeakPolarHBondContact O-CB 3.23Å; H71-F75 PolarHBondContact O-N 3.2Å; E72-F75 PolarHBondContact O-N 3.15Å; F75-V77 VanDerWaalsContact C-N 3.32Å; F75-V77 PolarHBondContact O-N 2.96Å; F75-K78 PolarHBondContact O-N 3.05Å; F75-T79 WeakPolarHBondContact O-CB 3.25Å; F75-T79 PolarHBondContact O-N 2.83Å; F75-T79 PolarHBondContact O-OG1 3.25Å
76D74.2Confident74.3Confident69 Ų69112.9 Ų112.937%0.36956%0.562SS.*Hα-helixtrans-59-42.2174.5-75.8-11.8000111.6R68 E72 K73 Y80R68-D76 IonicContact CZ-OD2 2.66Å; R68-D76 IonicContact NH1-OD2 3.49Å; R68-D76 PolarHBondContact NH1-OD2 2.75Å; E72-D76 WeakPolarHBondContact O-CB 3.47Å; E72-D76 PolarHBondContact O-N 2.95Å; K73-D76 PolarHBondContact O-N 2.84Å; D76-Y80 WeakPolarHBondContact O-CB 3.37Å; D76-Y80 PolarHBondContact O-N 2.78Å
77V77.1Confident74.4Confident96 Ų96116.8 Ų116.858%0.58256%0.562SS**Hα-helixtrans-66-41176.3173.40000111.6K73 A74 F75 Y80 L81K73-V77 WeakPolarHBondContact O-CG2 3.46Å; K73-V77 PolarHBondContact O-N 3.48Å; A74-V77 PolarHBondContact O-N 2.85Å; F75-V77 VanDerWaalsContact C-N 3.32Å; F75-V77 PolarHBondContact O-N 2.96Å; V77-Y80 PolarHBondContact O-N 3.16Å; V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 2.8Å
78K78.1Confident75.1Confident154 Ų154109.6 Ų109.667%0.6753%0.532SS*.Hα-helixtrans-64.4-45.4177.4-176.5-179.1176.6-176.10111.4A74 F75 L81 W82A74-K78 WeakPolarHBondContact O-CB 2.98Å; A74-K78 PolarHBondContact O-N 3.37Å; F75-K78 PolarHBondContact O-N 3.05Å; K78-L81 PolarHBondContact O-N 3.03Å; K78-W82 PolarHBondContact O-N 2.87Å
79T72.6Confident75.6Confident49 Ų49105.9 Ų105.930%0.30152%0.52SS..Hα-helixtrans-69.2-34.1178.2-55.50000111.6F75 W82 N83F75-T79 WeakPolarHBondContact O-CB 3.25Å; F75-T79 PolarHBondContact O-N 2.83Å; F75-T79 PolarHBondContact O-OG1 3.25Å; T79-W82 CarbonylContact O-C 3.5Å; T79-N83 PolarHBondContact O-N 2.88Å
80Y76.4Confident75.8Confident150 Ų150105.7 Ų105.759%0.58852%0.515SS*.Hα-helixtrans-65.9-42.1171.7177.9-100.3000111.9D76 V77 M90D76-Y80 WeakPolarHBondContact O-CB 3.37Å; D76-Y80 PolarHBondContact O-N 2.78Å; V77-Y80 PolarHBondContact O-N 3.16Å; Y80-M90 HydrophobicContact CE1-CB 4.49Å; Y80-M90 HydrophobicContact CE1-CG 4.44Å; Y80-M90 WeakPolarHBondContact O-CA 3.47Å; Y80-M90 PolarHBondContact O-N 2.82Å
81L79.4Confident75.8Confident88 Ų88101 Ų10146%0.46150%0.503SS..Hα-helixtrans-65.3-45.9178.6-161.478.3000111.1V77 K78 F89 M90V77-L81 WeakPolarHBondContact O-CB 3.22Å; V77-L81 PolarHBondContact O-N 2.8Å; K78-L81 PolarHBondContact O-N 3.03Å; L81-F89 WeakPolarHBondContact O-CD2 3.38Å; L81-M90 HydrophobicContact CD1-CE 3.57Å; L81-M90 PolarHBondContact O-N 3.09Å
82W79.4Confident76.2Confident146 Ų146100 Ų10055%0.55349%0.493SS*.EExtended strand (participates in β ladder)trans-147.9115.6178.5179.9-101.9000111.3K78 T79 F89K78-W82 PolarHBondContact O-N 2.87Å; T79-W82 CarbonylContact O-C 3.5Å; W82-F89 HydrophobicContact CE3-CB 4.18Å; W82-F89 HydrophobicContact CE3-CD2 4.16Å; W82-F89 HydrophobicContact CZ3-CB 4.28Å
83N79.1Confident76.7Confident37 Ų3798.3 Ų98.320%0.19849%0.489CS..EExtended strand (participates in β ladder)trans-98.1106.4170.9-168.7-18.3000109.6T79 E85 T86 R87 E88T79-N83 PolarHBondContact O-N 2.88Å; N83-E85 VanDerWaalsContact C-N 3.29Å; N83-E85 PolarHBondContact O-N 2.77Å; N83-E85 PolarHBondContact OD1-N 3.22Å; N83-E85 VanDerWaalsContact OD1-N 3.12Å; N83-T86 WeakPolarHBondContact CB-OG1 3.36Å; N83-T86 VanDerWaalsContact CG-OG1 3.24Å; N83-T86 PolarHBondContact ND2-OG1 2.79Å; N83-R87 VanDerWaalsContact O-CA 3.29Å; N83-R87 WeakPolarHBondContact O-CA 3Å; N83-R87 PolarHBondContact O-N 2.04Å; N83-E88 PolarHBondContact N-O 2.83Å; N83-E88 PolarHBondContact O-N 2.75Å
84A72.7Confident77Confident74 Ų7495.2 Ų95.261%0.61249%0.49SS*.THydrogen-bonded Turntrans-69.7-24-178.200000113.4
85E73.6Confident77.3Confident183 Ų18398.6 Ų98.686%0.85550%0.495SS*.THydrogen-bonded Turntrans-78.5-42.8-178.8-66-177.5171.900111.8N83N83-E85 VanDerWaalsContact C-N 3.29Å; N83-E85 PolarHBondContact O-N 2.77Å; N83-E85 PolarHBondContact OD1-N 3.22Å; N83-E85 VanDerWaalsContact OD1-N 3.12Å
86T70.9Confident77.9Confident69 Ų6994.7 Ų94.742%0.42348%0.483SS..THydrogen-bonded Turntrans-94.7-6.8179.1590000113.7N83 E88N83-T86 WeakPolarHBondContact CB-OG1 3.36Å; N83-T86 VanDerWaalsContact CG-OG1 3.24Å; N83-T86 PolarHBondContact ND2-OG1 2.79Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 2.89Å; T86-E88 VanDerWaalsContact OG1-CD 3.32Å; T86-E88 WeakPolarHBondContact OG1-CG 3.49Å; T86-E88 PolarHBondContact OG1-OE2 2.82Å
87R71.7Confident78.5Confident198 Ų19894.8 Ų94.875%0.74748%0.478SS*.THydrogen-bonded Turntrans53.640.9-172.5-59.5-178.6-179.9170.10.2112.7N83N83-R87 VanDerWaalsContact O-CA 3.29Å; N83-R87 WeakPolarHBondContact O-CA 3Å; N83-R87 PolarHBondContact O-N 2.04Å
88E80.1Confident79.1Confident61 Ų6196.2 Ų96.229%0.28548%0.477SS..EExtended strand (participates in β ladder)trans-104.3137.3178.7-67.9171154.600110.8N83 T86 R92 T93N83-E88 PolarHBondContact N-O 2.83Å; N83-E88 PolarHBondContact O-N 2.75Å; T86-E88 VanDerWaalsContact C-N 3.26Å; T86-E88 PolarHBondContact O-N 2.89Å; T86-E88 VanDerWaalsContact OG1-CD 3.32Å; T86-E88 WeakPolarHBondContact OG1-CG 3.49Å; T86-E88 PolarHBondContact OG1-OE2 2.82Å; E88-R92 WeakPolarHBondContact CA-O 3.02Å; E88-T93 HydrophobicContact CG-CG2 4.05Å
89F76.9Confident79.8Confident81 Ų8192.9 Ų92.936%0.35547%0.466SS..EExtended strand (participates in β ladder)trans-108.4123.5173.5179.9-105.2000108.3L81 W82 G91 R92 W97L81-F89 WeakPolarHBondContact O-CD2 3.38Å; W82-F89 HydrophobicContact CE3-CB 4.18Å; W82-F89 HydrophobicContact CE3-CD2 4.16Å; W82-F89 HydrophobicContact CZ3-CB 4.28Å; F89-G91 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact O-N 3.16Å; F89-R92 PolarHBondContact N-O 2.87Å; F89-R92 PolarHBondContact O-N 3.14Å; F89-R92 VanDerWaalsContact O-N 3.11Å; F89-W97 AromaticContact CD1-CE2 3.81Å; F89-W97 AromaticContact CD1-CZ2 4Å; F89-W97 HydrophobicContact CD1-CZ2 4Å; F89-W97 AromaticContact CD1-NE1 3.68Å; F89-W97 HydrophobicContact CE1-CZ2 4.27Å; F89-W97 PolarHBondContact O-NE1 3.25Å
90M77.8Confident80.7Confident73 Ų7392.3 Ų92.336%0.3646%0.46SS..THydrogen-bonded Turntrans49.340.6-177.9-62.4-176.4175.500113.7Y80 L81 R92 W97Y80-M90 HydrophobicContact CE1-CB 4.49Å; Y80-M90 HydrophobicContact CE1-CG 4.44Å; Y80-M90 WeakPolarHBondContact O-CA 3.47Å; Y80-M90 PolarHBondContact O-N 2.82Å; L81-M90 HydrophobicContact CD1-CE 3.57Å; L81-M90 PolarHBondContact O-N 3.09Å; M90-R92 PolarHBondContact O-N 3.08Å; M90-W97 HydrophobicContact CB-CZ2 4.22Å
91G73.9Confident81.5Confident51 Ų5189.7 Ų89.753%0.52646%0.456SS..THydrogen-bonded Turntrans75.316.6177.200000115.9F89F89-G91 PolarHBondContact O-N 3.49Å; F89-G91 VanDerWaalsContact O-N 3.16Å
92R82Confident82.3Confident128 Ų12890.1 Ų90.148%0.48346%0.458SS..EExtended strand (participates in β ladder)trans-133147.9173.2-67-177.2175.8152.1-1.6111.7E88 F89 M90 I100E88-R92 WeakPolarHBondContact CA-O 3.02Å; F89-R92 PolarHBondContact N-O 2.87Å; F89-R92 PolarHBondContact O-N 3.14Å; F89-R92 VanDerWaalsContact O-N 3.11Å; M90-R92 PolarHBondContact O-N 3.08Å; R92-I100 VanDerWaalsContact NH1-CD1 3.29Å
93T86Confident83.1Confident60 Ų6088.9 Ų88.937%0.36846%0.456SS..EExtended strand (participates in β ladder)trans-68.8152.917560.60000111.2E88 H95 S96 W97E88-T93 HydrophobicContact CG-CG2 4.05Å; T93-H95 PolarHBondContact O-N 2.86Å; T93-S96 WeakPolarHBondContact O-CB 3.1Å; T93-S96 PolarHBondContact O-N 2.59Å; T93-S96 PolarHBondContact OG1-N 3.46Å; T93-W97 PolarHBondContact O-N 3.42Å
94G82.1Confident83.9Confident51 Ų5192.5 Ų92.553%0.52647%0.468SS..Hα-helixtrans-56.1-32.117700000113.7W97 F98G94-W97 PolarHBondContact O-N 3.19Å; G94-F98 WeakPolarHBondContact O-CB 3.17Å; G94-F98 PolarHBondContact O-N 2.95Å
95H84.3Confident85.1Confident133 Ų13393.2 Ų93.262%0.61647%0.465SS*.Hα-helixtrans-66.4-43.3174-177.8-97.5000112.4T93 F98 L99T93-H95 PolarHBondContact O-N 2.86Å; H95-F98 PolarHBondContact O-N 3.26Å; H95-L99 VanDerWaalsContact CE1-CD1 3.46Å; H95-L99 WeakPolarHBondContact CE1-CD1 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 3.09Å
96S87.1Confident86.2Confident38 Ų3887.4 Ų87.427%0.26645%0.449SS..Hα-helixtrans-64-42.2174.9179.20000111.4T93 L99 I100T93-S96 WeakPolarHBondContact O-CB 3.1Å; T93-S96 PolarHBondContact O-N 2.59Å; T93-S96 PolarHBondContact OG1-N 3.46Å; S96-L99 PolarHBondContact O-N 3.23Å; S96-I100 WeakPolarHBondContact O-CB 3.42Å; S96-I100 WeakPolarHBondContact O-CD1 3.39Å; S96-I100 WeakPolarHBondContact O-CG1 3.42Å; S96-I100 PolarHBondContact O-N 3.14Å
97W87.7Confident87.4Confident71 Ų7187.3 Ų87.327%0.26945%0.445SS..Hα-helixtrans-60.4-44.8174.2-89.3108.2000112.9F89 M90 T93 G94 L99 I100 I101F89-W97 AromaticContact CD1-CE2 3.81Å; F89-W97 AromaticContact CD1-CZ2 4Å; F89-W97 HydrophobicContact CD1-CZ2 4Å; F89-W97 AromaticContact CD1-NE1 3.68Å; F89-W97 HydrophobicContact CE1-CZ2 4.27Å; F89-W97 PolarHBondContact O-NE1 3.25Å; M90-W97 HydrophobicContact CB-CZ2 4.22Å; T93-W97 PolarHBondContact O-N 3.42Å; G94-W97 PolarHBondContact O-N 3.19Å; W97-L99 PolarHBondContact O-N 3.48Å; W97-I100 PolarHBondContact O-N 2.96Å; W97-I101 HydrophobicContact CE3-CD1 4.31Å; W97-I101 HydrophobicContact CE3-CG1 4.43Å; W97-I101 WeakPolarHBondContact O-CB 3.22Å; W97-I101 VanDerWaalsContact O-CG1 3.24Å; W97-I101 WeakPolarHBondContact O-CG1 3.47Å; W97-I101 PolarHBondContact O-N 3.07Å
98F90Very high88.7Confident126 Ų12685 Ų8555%0.55344%0.438SS*.Hα-helixtrans-59.7-46.1175.7175.8-100.9000111.7G94 H95 I100 I101 L102G94-F98 WeakPolarHBondContact O-CB 3.17Å; G94-F98 PolarHBondContact O-N 2.95Å; H95-F98 PolarHBondContact O-N 3.26Å; F98-I100 PolarHBondContact O-N 2.84Å; F98-I101 PolarHBondContact O-N 3Å; F98-L102 HydrophobicContact CZ-CD1 4.42Å; F98-L102 VanDerWaalsContact O-CB 3.23Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.79Å
99L91.1Very high89.5Confident84 Ų8485 Ų8544%0.4445%0.448SS..Hα-helixtrans-62.5-41.1177.2-72.1175.7000112.6H95 S96 W97 F103H95-L99 VanDerWaalsContact CE1-CD1 3.46Å; H95-L99 WeakPolarHBondContact CE1-CD1 3.37Å; H95-L99 WeakPolarHBondContact O-CG 3.47Å; H95-L99 PolarHBondContact O-N 3.09Å; S96-L99 PolarHBondContact O-N 3.23Å; W97-L99 PolarHBondContact O-N 3.48Å; L99-F103 VanDerWaalsContact O-CB 3.23Å; L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.38Å
100I92.7Very high90.5Very high36 Ų3688.1 Ų88.119%0.18546%0.462CS..Hα-helixtrans-63.8-48.5176.6-70.3161.3000110.2R92 S96 W97 F98 L102 F103 Y104R92-I100 VanDerWaalsContact NH1-CD1 3.29Å; S96-I100 WeakPolarHBondContact O-CB 3.42Å; S96-I100 WeakPolarHBondContact O-CD1 3.39Å; S96-I100 WeakPolarHBondContact O-CG1 3.42Å; S96-I100 PolarHBondContact O-N 3.14Å; W97-I100 PolarHBondContact O-N 2.96Å; F98-I100 PolarHBondContact O-N 2.84Å; I100-L102 PolarHBondContact O-N 2.87Å; I100-F103 PolarHBondContact O-N 2.9Å; I100-Y104 HydrophobicContact CG2-CD2 3.62Å; I100-Y104 HydrophobicContact CG2-CE2 3.76Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.06Å; I100-Y104 PolarHBondContact O-N 3.19Å
101I93.6Very high91.5Very high96 Ų9688.1 Ų88.149%0.49246%0.463SS..Hα-helixtrans-62.9-45179.7-69.8166.4000110.3W97 F98 F103 Y104 T105W97-I101 HydrophobicContact CE3-CD1 4.31Å; W97-I101 HydrophobicContact CE3-CG1 4.43Å; W97-I101 WeakPolarHBondContact O-CB 3.22Å; W97-I101 VanDerWaalsContact O-CG1 3.24Å; W97-I101 WeakPolarHBondContact O-CG1 3.47Å; W97-I101 PolarHBondContact O-N 3.07Å; F98-I101 PolarHBondContact O-N 3Å; I101-F103 PolarHBondContact O-N 2.85Å; I101-Y104 PolarHBondContact O-N 3.31Å; I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.95Å; I101-T105 PolarHBondContact O-OG1 2.93Å
102L95.1Very high92.6Very high96 Ų9688.6 Ų88.650%0.50346%0.462SS..Hα-helixtrans-58.9-47.4176.4-174.482.4000111F98 I100 T105 A106F98-L102 HydrophobicContact CZ-CD1 4.42Å; F98-L102 VanDerWaalsContact O-CB 3.23Å; F98-L102 WeakPolarHBondContact O-CB 3.43Å; F98-L102 PolarHBondContact O-N 2.79Å; I100-L102 PolarHBondContact O-N 2.87Å; L102-T105 PolarHBondContact O-N 3.26Å; L102-A106 WeakPolarHBondContact O-CB 3.23Å; L102-A106 PolarHBondContact O-N 2.8Å
103F96.1Very high93.4Very high120 Ų12085.5 Ų85.553%0.52646%0.463SS..Hα-helixtrans-59.1-53177.6170-98000111.7L99 I100 I101 T105 A106 L107L99-F103 VanDerWaalsContact O-CB 3.23Å; L99-F103 WeakPolarHBondContact O-CB 3.37Å; L99-F103 PolarHBondContact O-N 3.38Å; I100-F103 PolarHBondContact O-N 2.9Å; I101-F103 PolarHBondContact O-N 2.85Å; F103-T105 VanDerWaalsContact C-N 3.31Å; F103-T105 PolarHBondContact O-N 2.97Å; F103-A106 PolarHBondContact O-N 3.13Å; F103-L107 HydrophobicContact CE1-CD2 4.1Å; F103-L107 HydrophobicContact CZ-CD2 4.27Å; F103-L107 VanDerWaalsContact O-CB 3.3Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.04Å
104Y96.7Very high93.9Very high114 Ų11487.5 Ų87.545%0.44747%0.469SS..Hα-helixtrans-65.8-35.1179.7-82.5-73.6000112.1I100 I101 L107 Y108I100-Y104 HydrophobicContact CG2-CD2 3.62Å; I100-Y104 HydrophobicContact CG2-CE2 3.76Å; I100-Y104 VanDerWaalsContact O-CD2 3.26Å; I100-Y104 WeakPolarHBondContact O-CD2 3.06Å; I100-Y104 PolarHBondContact O-N 3.19Å; I101-Y104 PolarHBondContact O-N 3.31Å; Y104-L107 HydrophobicContact CD1-CD2 4.18Å; Y104-L107 HydrophobicContact CE1-CD2 4.39Å; Y104-L107 PolarHBondContact O-N 3.05Å; Y104-Y108 HydrophobicContact CD1-CD2 4.24Å; Y104-Y108 AromaticContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CG-CE2 4.43Å; Y104-Y108 WeakPolarHBondContact O-CB 3.3Å; Y104-Y108 WeakPolarHBondContact O-CD2 3.49Å; Y104-Y108 PolarHBondContact O-N 3.31Å
105T96.7Very high94.7Very high88 Ų8891.4 Ų91.454%0.5447%0.472SS..Hα-helixtrans-62.1-48175.1-580000110.5I101 L102 F103 A109I101-T105 VanDerWaalsContact O-CB 3.22Å; I101-T105 WeakPolarHBondContact O-CB 3.35Å; I101-T105 PolarHBondContact O-N 2.95Å; I101-T105 PolarHBondContact O-OG1 2.93Å; L102-T105 PolarHBondContact O-N 3.26Å; F103-T105 VanDerWaalsContact C-N 3.31Å; F103-T105 PolarHBondContact O-N 2.97Å; T105-A109 WeakPolarHBondContact O-CB 3.06Å; T105-A109 PolarHBondContact O-N 3.26Å
106A97.3Very high95.4Very high62 Ų6286.8 Ų86.851%0.51246%0.461SS..Hα-helixtrans-64.5-43.7177.200000112L102 F103 A109 F110L102-A106 WeakPolarHBondContact O-CB 3.23Å; L102-A106 PolarHBondContact O-N 2.8Å; F103-A106 PolarHBondContact O-N 3.13Å; A106-A109 PolarHBondContact O-N 2.75Å; A106-F110 PolarHBondContact O-N 2.86Å
107L97.4Very high95.9Very high67 Ų6787.7 Ų87.735%0.35147%0.47SS..Hα-helixtrans-59.9-51.5177.9-179.570.6000111.5F103 Y104 A109 F110 L111F103-L107 HydrophobicContact CE1-CD2 4.1Å; F103-L107 HydrophobicContact CZ-CD2 4.27Å; F103-L107 VanDerWaalsContact O-CB 3.3Å; F103-L107 WeakPolarHBondContact O-CB 3.44Å; F103-L107 PolarHBondContact O-N 2.04Å; Y104-L107 HydrophobicContact CD1-CD2 4.18Å; Y104-L107 HydrophobicContact CE1-CD2 4.39Å; Y104-L107 PolarHBondContact O-N 3.05Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.19Å; L107-F110 PolarHBondContact O-N 3.38Å; L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.89Å
108Y97.8Very high96.3Very high150 Ų15088.1 Ų88.159%0.58848%0.483SS*.Hα-helixtrans-69.4-31.9180-78.6-64000112.5Y104 L111 A112Y104-Y108 HydrophobicContact CD1-CD2 4.24Å; Y104-Y108 AromaticContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CD1-CE2 3.68Å; Y104-Y108 HydrophobicContact CG-CE2 4.43Å; Y104-Y108 WeakPolarHBondContact O-CB 3.3Å; Y104-Y108 WeakPolarHBondContact O-CD2 3.49Å; Y104-Y108 PolarHBondContact O-N 3.31Å; Y108-L111 HydrophobicContact CD1-CD1 4.18Å; Y108-L111 HydrophobicContact CE1-CD1 4.44Å; Y108-L111 PolarHBondContact O-N 3.36Å; Y108-A112 WeakPolarHBondContact O-CB 3.17Å; Y108-A112 PolarHBondContact O-N 2.96Å
109A97.6Very high96.7Very high61 Ų6185.9 Ų85.950%0.50448%0.476SS..Hα-helixtrans-62.2-44.1172.200000111.4T105 A106 L107 A112 A113T105-A109 WeakPolarHBondContact O-CB 3.06Å; T105-A109 PolarHBondContact O-N 3.26Å; A106-A109 PolarHBondContact O-N 2.75Å; L107-A109 VanDerWaalsContact C-N 3.34Å; L107-A109 PolarHBondContact O-N 3.19Å; A109-A112 PolarHBondContact O-N 2.94Å; A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.05Å
110F98Very high96.9Very high146 Ų14690.5 Ų90.564%0.6449%0.487SS*.Hα-helixtrans-64.9-45.3175.7179.9-99.9000112.2A106 L107 A112 A113 M114A106-F110 PolarHBondContact O-N 2.86Å; L107-F110 PolarHBondContact O-N 3.38Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.07Å; F110-A113 PolarHBondContact O-N 3.37Å; F110-M114 PolarHBondContact O-N 3.47Å
111L97.7Very high97.1Very high73 Ų7392.7 Ų92.738%0.38251%0.505SS..Hα-helixtrans-60.7-42176.1-72.6172.9000112L107 Y108 M114 F115L107-L111 HydrophobicContact CG-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CG 3.42Å; L107-L111 PolarHBondContact O-N 2.89Å; Y108-L111 HydrophobicContact CD1-CD1 4.18Å; Y108-L111 HydrophobicContact CE1-CD1 4.44Å; Y108-L111 PolarHBondContact O-N 3.36Å; L111-M114 PolarHBondContact O-N 3.12Å; L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 3.2Å
112A97.9Very high97.2Very high61 Ų6192.2 Ų92.250%0.50450%0.503SS..Hα-helixtrans-65.1-39.7176.200000111.9Y108 A109 F110 F115 G116Y108-A112 WeakPolarHBondContact O-CB 3.17Å; Y108-A112 PolarHBondContact O-N 2.96Å; A109-A112 PolarHBondContact O-N 2.94Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.07Å; A112-F115 PolarHBondContact O-N 3.2Å; A112-G116 PolarHBondContact O-N 3.41Å
113A97.9Very high97.2Very high62 Ų6293.6 Ų93.651%0.51251%0.509SS..Hα-helixtrans-64.6-44.4175.400000111.9A109 F110 G116 A117A109-A113 WeakPolarHBondContact O-CB 3.34Å; A109-A113 PolarHBondContact O-N 3.05Å; F110-A113 PolarHBondContact O-N 3.37Å; A113-G116 PolarHBondContact O-N 3.14Å; A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.27Å
114M98.1Very high97.1Very high102 Ų10294 Ų9450%0.50252%0.515SS..Hα-helixtrans-60.6-47.5175.2-173.9-164.774.500111.1F110 L111 G116 A117 C118F110-M114 PolarHBondContact O-N 3.47Å; L111-M114 PolarHBondContact O-N 3.12Å; M114-G116 PolarHBondContact O-N 3.24Å; M114-A117 PolarHBondContact O-N 2.69Å; M114-C118 PolarHBondContact O-N 3.26Å; M114-C118 PolarHBondContact O-SG 2.85Å
115F98.1Very high96.9Very high133 Ų13392.7 Ų92.758%0.58352%0.523SS*.Hα-helixtrans-61-43.9176176.6-101.7000112.1L111 A112 A117 C118 M119L111-F115 WeakPolarHBondContact O-CB 3.25Å; L111-F115 PolarHBondContact O-N 3.2Å; A112-F115 PolarHBondContact O-N 3.2Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.11Å; F115-C118 PolarHBondContact O-N 3.37Å; F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CG 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE2-CG 3.98Å; F115-M119 HydrophobicContact CE2-SD 4.34Å; F115-M119 HydrophobicContact CZ-CG 3.58Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.14Å; F115-M119 PolarHBondContact O-N 3.4Å
116G97.9Very high96.7Very high37 Ų3791.8 Ų91.838%0.38151%0.514SS..Hα-helixtrans-60.2-41.9176.300000112.6A112 A113 M114 M119 W120A112-G116 PolarHBondContact O-N 3.41Å; A113-G116 PolarHBondContact O-N 3.14Å; M114-G116 PolarHBondContact O-N 3.24Å; G116-M119 PolarHBondContact O-N 2.94Å; G116-W120 WeakPolarHBondContact O-CB 3.31Å; G116-W120 PolarHBondContact O-N 2.93Å
117A97.7Very high96.3Very high56 Ų5690.4 Ų90.446%0.46350%0.501SS..Hα-helixtrans-64.7-4417500000112A113 M114 F115 M119 W120 C121A113-A117 WeakPolarHBondContact O-CB 3.34Å; A113-A117 PolarHBondContact O-N 3.27Å; M114-A117 PolarHBondContact O-N 2.69Å; F115-A117 VanDerWaalsContact C-N 3.34Å; F115-A117 PolarHBondContact O-N 3.11Å; A117-M119 PolarHBondContact O-N 2.64Å; A117-W120 WeakPolarHBondContact O-CB 3.33Å; A117-W120 PolarHBondContact O-N 3.17Å; A117-C121 PolarHBondContact O-N 3.08Å; A117-C121 PolarHBondContact O-SG 2.02Å; A117-C121 VanDerWaalsContact O-SG 3.36Å
118C97.4Very high96Very high80 Ų8091.4 Ų91.454%0.54151%0.511SS..Hα-helixtrans-60.2-44.7174.4-67.50000111.8M114 F115 C121 L122M114-C118 PolarHBondContact O-N 3.26Å; M114-C118 PolarHBondContact O-SG 2.85Å; F115-C118 PolarHBondContact O-N 3.37Å; C118-C121 PolarHBondContact O-N 3.04Å; C118-L122 PolarHBondContact O-N 2.57Å
119M97.3Very high95.6Very high80 Ų8087.6 Ų87.639%0.39450%0.496SS..Hα-helixtrans-64.4-38.5175.9-74.9-60.2-64.200112.1F115 G116 A117 L122 M123F115-M119 HydrophobicContact CD1-CG 4.25Å; F115-M119 HydrophobicContact CD2-CG 4.46Å; F115-M119 HydrophobicContact CE1-CG 3.74Å; F115-M119 HydrophobicContact CE2-CG 3.98Å; F115-M119 HydrophobicContact CE2-SD 4.34Å; F115-M119 HydrophobicContact CZ-CG 3.58Å; F115-M119 HydrophobicContact CZ-SD 4.05Å; F115-M119 WeakPolarHBondContact O-CG 3.14Å; F115-M119 PolarHBondContact O-N 3.4Å; G116-M119 PolarHBondContact O-N 2.94Å; A117-M119 PolarHBondContact O-N 2.64Å; M119-L122 HydrophobicContact CE-CD2 4.44Å; M119-L122 WeakPolarHBondContact O-CB 3.47Å; M119-L122 PolarHBondContact O-N 3.42Å; M119-L122 HydrophobicContact SD-CD2 4.22Å; M119-M123 WeakPolarHBondContact O-CG 3.44Å; M119-M123 PolarHBondContact O-N 2.88Å
120W96.7Very high95.2Very high180 Ų18088.7 Ų88.768%0.68249%0.491SS*.Hα-helixtrans-61.9-48.2175.3-177.7-86.1000111.7G116 A117 L122 M123 L124G116-W120 WeakPolarHBondContact O-CB 3.31Å; G116-W120 PolarHBondContact O-N 2.93Å; A117-W120 WeakPolarHBondContact O-CB 3.33Å; A117-W120 PolarHBondContact O-N 3.17Å; W120-L122 VanDerWaalsContact C-N 3.29Å; W120-L122 PolarHBondContact O-N 3.23Å; W120-M123 PolarHBondContact O-N 3.29Å; W120-M123 VanDerWaalsContact O-N 3.14Å; W120-L124 WeakPolarHBondContact O-CG 3.21Å; W120-L124 PolarHBondContact O-N 3.43Å
121C96.7Very high94.9Very high83 Ų8384.5 Ų84.556%0.56148%0.478SS*.Hα-helixtrans-58.7-41175.1-69.10000112.1A117 C118 L124 S125A117-C121 PolarHBondContact O-N 3.08Å; A117-C121 PolarHBondContact O-SG 2.02Å; A117-C121 VanDerWaalsContact O-SG 3.36Å; C118-C121 PolarHBondContact O-N 3.04Å; C121-L124 PolarHBondContact O-N 3.05Å; C121-S125 PolarHBondContact O-N 2.75Å
122L95.4Very high94.5Very high86 Ų8685.5 Ų85.545%0.4549%0.487SS..Hα-helixtrans-60.7-46.2174.5179.366.1000111.4C118 M119 W120 L124 S125 I126C118-L122 PolarHBondContact O-N 2.57Å; M119-L122 HydrophobicContact CE-CD2 4.44Å; M119-L122 WeakPolarHBondContact O-CB 3.47Å; M119-L122 PolarHBondContact O-N 3.42Å; M119-L122 HydrophobicContact SD-CD2 4.22Å; W120-L122 VanDerWaalsContact C-N 3.29Å; W120-L122 PolarHBondContact O-N 3.23Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.19Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 PolarHBondContact O-OG 2.85Å; L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.11Å; L122-I126 PolarHBondContact O-N 3.14Å
123M94.6Very high94.2Very high125 Ų12589.7 Ų89.762%0.61650%0.496SS*.Hα-helixtrans-63.7-31178.9-68.9-58.4-6300113M119 W120 S125 I126M119-M123 WeakPolarHBondContact O-CG 3.44Å; M119-M123 PolarHBondContact O-N 2.88Å; W120-M123 PolarHBondContact O-N 3.29Å; W120-M123 VanDerWaalsContact O-N 3.14Å; M123-S125 VanDerWaalsContact C-N 3.3Å; M123-I126 PolarHBondContact O-N 3.43Å
124L93.5Very high93.7Very high127 Ų12788.9 Ų88.967%0.66548%0.483SS*.Hα-helixtrans-69.6-26.5173.1-67.6177.8000113.2W120 C121 L122 I126W120-L124 WeakPolarHBondContact O-CG 3.21Å; W120-L124 PolarHBondContact O-N 3.43Å; C121-L124 PolarHBondContact O-N 3.05Å; L122-L124 VanDerWaalsContact C-N 3.27Å; L122-L124 PolarHBondContact O-N 3.19Å; L124-I126 VanDerWaalsContact C-N 3.33Å
125S92.9Very high93.2Very high87 Ų8789.7 Ų89.761%0.60849%0.49SS*.Hα-helixtrans-80.8-12.8179.573.10000114C121 L122 M123C121-S125 PolarHBondContact O-N 2.75Å; L122-S125 PolarHBondContact O-N 3.04Å; L122-S125 PolarHBondContact O-OG 2.85Å; M123-S125 VanDerWaalsContact C-N 3.3Å
126I92.8Very high92.7Very high70 Ų7095.3 Ų95.336%0.35951%0.507SS..SBendtrans-104.6128.7-175.4-62.3168.1000109.4L122 M123 L124L122-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CG-CD1 4.11Å; L122-I126 PolarHBondContact O-N 3.14Å; M123-I126 PolarHBondContact O-N 3.43Å; L124-I126 VanDerWaalsContact C-N 3.33Å
127S89.6Confident92.1Very high33 Ų3397.1 Ų97.123%0.23151%0.511CS..  trans-74.2143.9172.590.30000110.6Y129 H130S127-Y129 VanDerWaalsContact C-N 3.26Å; S127-Y129 PolarHBondContact O-N 3.23Å; S127-H130 PolarHBondContact OG-CD2 2.85Å; S127-H130 PolarHBondContact OG-CE1 2.77Å; S127-H130 VanDerWaalsContact OG-CG 3.3Å; S127-H130 PolarHBondContact OG-N 3.11Å; S127-H130 VanDerWaalsContact OG-N 3.17Å; S127-H130 PolarHBondContact OG-ND1 2.83Å; S127-H130 PolarHBondContact OG-NE2 3.29Å; S127-H130 PolarHBondContact OG-O 2.93Å
128P90.1Very high91.6Very high88 Ų8898.7 Ų98.757%0.57151%0.51SS*.SBendtrans-74.2-19.3174.829.7-33.8000112.3L291P128-L291 HydrophobicContact CB-CD1 3.93Å; P128-L291 WeakPolarHBondContact O-CD1 3.2Å
129Y89.3Confident91.1Very high70 Ų7096 Ų9628%0.27549%0.491SS..SBendtrans-95.9-24.2-166.7-58.7-60000114.7S127 E203 L245 R292S127-Y129 VanDerWaalsContact C-N 3.26Å; S127-Y129 PolarHBondContact O-N 3.23Å; Y129-E203 HydrophobicContact CD2-CG 3.88Å; Y129-E203 HydrophobicContact CG-CG 4.26Å; Y129-L245 VanDerWaalsContact O-CD1 3.26Å; Y129-L245 WeakPolarHBondContact O-CD1 3.17Å; Y129-R292 HydrophobicContact CD1-CG 3.57Å; Y129-R292 HydrophobicContact CE1-CG 4Å; Y129-R292 HydrophobicContact CG-CG 4.47Å; Y129-R292 PolarHBondContact O-NH2 2.89Å
130H88.9Confident90.8Very high84 Ų8492.2 Ų92.239%0.38947%0.472SS..SBendtrans-143.2135.5178.662.8-93.6000110.7S127 E203 L245S127-H130 PolarHBondContact OG-CD2 2.85Å; S127-H130 PolarHBondContact OG-CE1 2.77Å; S127-H130 VanDerWaalsContact OG-CG 3.3Å; S127-H130 PolarHBondContact OG-N 3.11Å; S127-H130 VanDerWaalsContact OG-N 3.17Å; S127-H130 PolarHBondContact OG-ND1 2.83Å; S127-H130 PolarHBondContact OG-NE2 3.29Å; S127-H130 PolarHBondContact OG-O 2.93Å; H130-E203 IonicContact CE1-OE1 2.63Å; H130-E203 IonicContact ND1-OE1 3.38Å; H130-E203 PolarHBondContact ND1-OE1 2.81Å; H130-E203 VanDerWaalsContact ND1-OE1 3.09Å; H130-L245 HydrophobicContact CB-CD2 4.13Å
131P92Very high90.6Very high57 Ų5784 Ų8437%0.3744%0.444SS..  trans-69.1143.4172.830.4-35.9000110.5H133 N134P131-H133 VanDerWaalsContact C-N 3.31Å; P131-H133 PolarHBondContact O-N 3.27Å; P131-N134 WeakPolarHBondContact CG-OD1 3.4Å
132T90.6Very high90.3Very high94 Ų9480.1 Ų80.158%0.57742%0.417SS*.SBendtrans-64.5-34.1178.5-44.60000112.7
133H90.2Very high90.2Very high150 Ų15077.8 Ų77.869%0.69441%0.407SS*.  trans-133.1129.9-178.5-62.1-68.5000111.4P131P131-H133 VanDerWaalsContact C-N 3.31Å; P131-H133 PolarHBondContact O-N 3.27Å
134N87.8Confident90.1Very high44 Ų4471.8 Ų71.824%0.23538%0.377CS..  trans-117.12.4179.3-76.7-43.1000113.9P131 R136 V137 M138P131-N134 WeakPolarHBondContact CG-OD1 3.4Å; N134-R136 PolarHBondContact O-N 3.08Å; N134-R136 VanDerWaalsContact O-N 3.14Å; N134-V137 HydrophobicContact CB-CG2 4.17Å; N134-V137 WeakPolarHBondContact O-CG2 3.47Å; N134-V137 PolarHBondContact O-N 3.48Å; N134-V137 VanDerWaalsContact O-N 3.11Å; N134-M138 HydrophobicContact CB-CE 4.33Å; N134-M138 PolarHBondContact O-N 3.37Å
135D87.4Confident90.1Very high119 Ų11966.3 Ų66.364%0.63635%0.35SS*.THydrogen-bonded Turntrans-65.5-25.6-169.4-51.3-44.6000113.4
136R87.6Confident90.1Very high251 Ų25162.3 Ų62.395%0.94732%0.321SS*.THydrogen-bonded Turntrans-82.1-14.3179.6-63.5-165.1-179.1-178.91.9114.4N134N134-R136 PolarHBondContact O-N 3.08Å; N134-R136 VanDerWaalsContact O-N 3.14Å
137V86.8Confident89.9Confident76 Ų7661.8 Ų61.846%0.46132%0.317SS..THydrogen-bonded Turntrans-104.6-11.8-177.8-62.40000112.9N134 P139 I244N134-V137 HydrophobicContact CB-CG2 4.17Å; N134-V137 WeakPolarHBondContact O-CG2 3.47Å; N134-V137 PolarHBondContact O-N 3.48Å; N134-V137 VanDerWaalsContact O-N 3.11Å; V137-P139 CarbonylContact O-C 3.36Å; V137-I244 HydrophobicContact CG2-CG2 3.95Å; V137-I244 WeakPolarHBondContact O-CD1 3.31Å
138M85.4Confident89.7Confident89 Ų8962.3 Ų62.344%0.43832%0.318SS..PPolyproline II helixtrans-94.7139174.3-65.9-172.2-65.800110.1N134 I244 Y247N134-M138 HydrophobicContact CB-CE 4.33Å; N134-M138 PolarHBondContact O-N 3.37Å; M138-I244 HydrophobicContact CG-CD1 4.43Å; M138-Y247 HydrophobicContact SD-CD2 4.44Å
139P87.3Confident89.2Confident23 Ų2364.8 Ų64.815%0.14933%0.326CS..SBendcis-77.1165.4-3.833.9-39.4000113.7V137 I326 L335V137-P139 CarbonylContact O-C 3.36Å; P139-I326 HydrophobicContact CG-CB 3.98Å; P139-I326 HydrophobicContact CG-CD1 3.99Å; P139-I326 HydrophobicContact CG-CG1 4.11Å; P139-L335 HydrophobicContact CG-CD1 4.22Å; P139-L335 HydrophobicContact CG-CD2 3.38Å; P139-L335 HydrophobicContact CG-CG 3.91Å
140P91.3Very high88.7Confident0 Ų064 Ų640%034%0.339CS..PPolyproline II helixtrans-64.9137.4-177.228.7-38000113.1M241 I244 Y247 G336P140-M241 HydrophobicContact CB-CG 3.86Å; P140-M241 HydrophobicContact CB-SD 4.05Å; P140-M241 HydrophobicContact CG-CG 4.29Å; P140-M241 HydrophobicContact CG-SD 3.8Å; P140-I244 HydrophobicContact CB-CD1 3.78Å; P140-Y247 HydrophobicContact CB-CE1 4.35Å; P140-Y247 VanDerWaalsContact CD-CZ 3.4Å; P140-Y247 VanDerWaalsContact CD-OH 3.26Å; P140-Y247 WeakPolarHBondContact CD-OH 3.05Å; P140-Y247 HydrophobicContact CG-CD1 4.42Å; P140-Y247 HydrophobicContact CG-CE1 3.57Å; P140-G336 PolarHBondContact O-N 2.82Å; P140-G336 VanDerWaalsContact O-N 3.13Å
141G92.1Very high88.4Confident9 Ų966 Ų669%0.09335%0.348CS..BIsolated β-bridgetrans-77.1168.4165.700000113.2N242 F334G141-N242 WeakPolarHBondContact O-CB 3.11Å; G141-N242 PolarHBondContact O-N 3.26Å; G141-F334 CarbonylContact C-O 3.43Å; G141-F334 WeakPolarHBondContact CA-O 3.23Å
142M91.8Very high88.3Confident0 Ų065.9 Ų65.90%034%0.341CS..EExtended strand (participates in β ladder)trans-120.8136176.1-170.3176.4-171.600109.9L239 V257 C318 L320 F334 V338M142-L239 HydrophobicContact CE-CB 3.54Å; M142-L239 HydrophobicContact CE-CD1 3.54Å; M142-L239 HydrophobicContact CE-CD2 3.97Å; M142-L239 HydrophobicContact CE-CG 3.86Å; M142-V257 HydrophobicContact CE-CG1 3.68Å; M142-C318 HydrophobicContact CE-CB 4.15Å; M142-C318 HydrophobicContact SD-CB 4.37Å; M142-L320 HydrophobicContact CB-CD1 4.16Å; M142-L320 HydrophobicContact CB-CG 4.32Å; M142-L320 HydrophobicContact CE-CD2 3.89Å; M142-L320 HydrophobicContact CG-CD1 4.47Å; M142-L320 HydrophobicContact CG-CD2 4.32Å; M142-L320 HydrophobicContact CG-CG 4.31Å; M142-L320 HydrophobicContact SD-CD2 3.7Å; M142-L320 HydrophobicContact SD-CG 3.75Å; M142-F334 PolarHBondContact N-O 2.81Å; M142-V338 HydrophobicContact CB-CB 4.43Å; M142-V338 HydrophobicContact CE-CG1 4.41Å; M142-V338 HydrophobicContact CG-CB 4.39Å; M142-V338 HydrophobicContact CG-CG1 3.99Å; M142-V338 HydrophobicContact SD-CG1 3.92Å
143T92.4Very high88.3Confident37 Ų3765.9 Ų65.923%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-118.4147.4176.549.70000109.9R240 N242T143-R240 PolarHBondContact N-O 3.2Å; T143-R240 PolarHBondContact O-N 3.36Å; T143-R240 PolarHBondContact OG1-O 3.02Å; T143-N242 VanDerWaalsContact CG2-OD1 3.32Å; T143-N242 WeakPolarHBondContact CG2-OD1 3.47Å
144M93.4Very high88.4Confident0 Ų058.8 Ų58.80%030%0.302CS..EExtended strand (participates in β ladder)trans-115.3158.3174.675.280.3167.900110.4Q147 Y152 I154 I237 L238 L239 V338 F340M144-Q147 HydrophobicContact CE-CG 3.91Å; M144-Q147 WeakPolarHBondContact O-CG 3.45Å; M144-Q147 PolarHBondContact O-NE2 2.87Å; M144-Q147 HydrophobicContact SD-CG 3.93Å; M144-Y152 HydrophobicContact CE-CD1 3.48Å; M144-Y152 VanDerWaalsContact CE-CD1 3.48Å; M144-Y152 HydrophobicContact CE-CE1 4.35Å; M144-Y152 HydrophobicContact CE-CG 4.03Å; M144-Y152 HydrophobicContact CG-CD1 3.66Å; M144-Y152 HydrophobicContact CG-CE1 3.89Å; M144-Y152 HydrophobicContact SD-CD1 4.29Å; M144-I154 HydrophobicContact CE-CD1 4.19Å; M144-I154 HydrophobicContact CE-CG1 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.47Å; M144-I237 HydrophobicContact CB-CG2 4.07Å; M144-I237 HydrophobicContact SD-CG2 4.38Å; M144-L238 CarbonylContact C-O 3.34Å; M144-L238 VanDerWaalsContact CA-O 3.24Å; M144-L238 WeakPolarHBondContact CA-O 3.28Å; M144-L239 HydrophobicContact CB-CD2 3.78Å; M144-V338 HydrophobicContact CB-CG1 4.16Å; M144-V338 HydrophobicContact CB-CG2 4.02Å; M144-V338 HydrophobicContact CG-CG2 3.8Å; M144-F340 HydrophobicContact CB-CD1 4.48Å; M144-F340 HydrophobicContact CE-CB 3.86Å; M144-F340 HydrophobicContact CE-CG 4.36Å; M144-F340 HydrophobicContact CG-CD1 4.1Å; M144-F340 HydrophobicContact CG-CG 4.49Å
145S93Very high88.6Confident12 Ų1258.8 Ų58.88%0.08431%0.307CS..EExtended strand (participates in β ladder)trans-145.1142172.6-46.10000109.2Q174 I237 L238S145-Q174 VanDerWaalsContact CB-NE2 3.35Å; S145-Q174 PolarHBondContact OG-NE2 3.43Å; S145-Q174 PolarHBondContact OG-OE1 3.38Å; S145-I237 WeakPolarHBondContact O-CG2 3.24Å; S145-L238 PolarHBondContact N-O 3.17Å; S145-L238 PolarHBondContact O-N 3.36Å
146P92.7Very high88.8Confident2 Ų253.6 Ų53.61%0.01328%0.279CS..  cis-87.8146.212.330.7-26.4000114.1Y167 L170 M171 F230P146-Y167 HydrophobicContact CB-CD1 4.09Å; P146-Y167 HydrophobicContact CG-CD1 3.81Å; P146-Y167 HydrophobicContact CG-CG 4.15Å; P146-L170 HydrophobicContact CB-CB 4.12Å; P146-L170 HydrophobicContact CB-CD1 4.37Å; P146-M171 HydrophobicContact CB-CG 4.06Å; P146-M171 HydrophobicContact CB-SD 4.41Å; P146-M171 HydrophobicContact CG-CG 3.92Å; P146-M171 HydrophobicContact CG-SD 4.2Å; P146-F230 HydrophobicContact CG-CZ 3.98Å
147Q88.6Confident89.1Confident59 Ų5944.1 Ų44.128%0.27625%0.247SC..  trans-115.1125.6171.9-62.1177.221.500108.9M144 Y152M144-Q147 HydrophobicContact CE-CG 3.91Å; M144-Q147 WeakPolarHBondContact O-CG 3.45Å; M144-Q147 PolarHBondContact O-NE2 2.87Å; M144-Q147 HydrophobicContact SD-CG 3.93Å; Q147-Y152 VanDerWaalsContact CD-CE1 3.49Å; Q147-Y152 VanDerWaalsContact CD-CZ 3.49Å; Q147-Y152 HydrophobicContact CG-CD1 4.38Å; Q147-Y152 HydrophobicContact CG-CE1 4.12Å; Q147-Y152 VanDerWaalsContact NE2-CZ 3.35Å; Q147-Y152 PolarHBondContact NE2-OH 3.08Å; Q147-Y152 VanDerWaalsContact NE2-OH 3.15Å; Q147-Y152 PolarHBondContact OE1-OH 2.74Å
148L85.8Confident89.3Confident45 Ų4541 Ų4124%0.23623%0.23CC..BIsolated β-bridgetrans-100.6123.4177-167.967.8000109.1G150 H151 K166 Y167 L170L148-G150 PolarHBondContact O-N 2.86Å; L148-H151 PolarHBondContact O-N 3.04Å; L148-K166 HydrophobicContact CD1-CB 4.39Å; L148-K166 HydrophobicContact CD1-CD 4.38Å; L148-K166 HydrophobicContact CD2-CD 4.43Å; L148-Y167 HydrophobicContact CB-CE1 3.86Å; L148-Y167 HydrophobicContact CD2-CE1 4.27Å; L148-L170 HydrophobicContact CD1-CD1 4.21Å
149D80.1Confident89.5Confident140 Ų14041.5 Ų41.575%0.74924%0.242SC*.THydrogen-bonded Turntrans51.530.1178-57.3-36.9000114.8H151D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.14Å; D149-H151 PolarHBondContact O-N 3.4Å
150G76.9Confident89.8Confident53 Ų5344 Ų4455%0.54625%0.254SS..THydrogen-bonded Turntrans78.24.3-179.400000114.8L148L148-G150 PolarHBondContact O-N 2.86Å
151H84.4Confident89.9Confident126 Ų12651.3 Ų51.358%0.58328%0.282SS*.BIsolated β-bridgetrans-91.6138.6175.5-61.7-70.8000111.3L148 D149 E153L148-H151 PolarHBondContact O-N 3.04Å; D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.14Å; D149-H151 PolarHBondContact O-N 3.4Å; H151-E153 PolarHBondContact O-N 3.06Å
152Y87.9Confident89.9Confident55 Ų5559.1 Ų59.122%0.21631%0.313CS..  trans-94.338.4177.5-67.6-98.9000111.2M144 Q147 F334 V338 F340 S341M144-Y152 HydrophobicContact CE-CD1 3.48Å; M144-Y152 VanDerWaalsContact CE-CD1 3.48Å; M144-Y152 HydrophobicContact CE-CE1 4.35Å; M144-Y152 HydrophobicContact CE-CG 4.03Å; M144-Y152 HydrophobicContact CG-CD1 3.66Å; M144-Y152 HydrophobicContact CG-CE1 3.89Å; M144-Y152 HydrophobicContact SD-CD1 4.29Å; Q147-Y152 VanDerWaalsContact CD-CE1 3.49Å; Q147-Y152 VanDerWaalsContact CD-CZ 3.49Å; Q147-Y152 HydrophobicContact CG-CD1 4.38Å; Q147-Y152 HydrophobicContact CG-CE1 4.12Å; Q147-Y152 VanDerWaalsContact NE2-CZ 3.35Å; Q147-Y152 PolarHBondContact NE2-OH 3.08Å; Q147-Y152 VanDerWaalsContact NE2-OH 3.15Å; Q147-Y152 PolarHBondContact OE1-OH 2.74Å; Y152-F334 AromaticContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CZ 4.5Å; Y152-F334 AromaticContact CD2-CE1 3.97Å; Y152-F334 HydrophobicContact CD2-CE1 3.97Å; Y152-F334 AromaticContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CE1-CD1 4.28Å; Y152-F334 AromaticContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CZ 4.19Å; Y152-F334 AromaticContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE2 4.33Å; Y152-F334 AromaticContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CG-CE1 4.13Å; Y152-F334 HydrophobicContact CG-CZ 4.3Å; Y152-F334 AromaticContact CZ-CE1 3.34Å; Y152-F334 AromaticContact CZ-CZ 3.61Å; Y152-V338 HydrophobicContact CD1-CG2 3.99Å; Y152-V338 HydrophobicContact CE1-CG2 3.93Å; Y152-F340 CarbonylContact O-C 3.6Å; Y152-F340 WeakPolarHBondContact O-CA 3.38Å; Y152-F340 WeakPolarHBondContact O-CB 3.26Å; Y152-S341 PolarHBondContact O-N 3.4Å
153E90.9Very high89.9Confident94 Ų9460.5 Ų60.544%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-120.2120.2-179.1177166.9-152.200108.1H151 S341H151-E153 PolarHBondContact O-N 3.06Å; E153-S341 WeakPolarHBondContact CA-OG 3.15Å; E153-S341 WeakPolarHBondContact CB-OG 3.34Å; E153-S341 WeakPolarHBondContact CG-OG 3.06Å
154I92.4Very high89.9Confident1 Ų159.5 Ų59.51%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-108.989.1-177.1-57179.6000106.8M144 F156 F230 I237 F340 S341 F342 D343M144-I154 HydrophobicContact CE-CD1 4.19Å; M144-I154 HydrophobicContact CE-CG1 4.36Å; M144-I154 HydrophobicContact SD-CD1 4.47Å; I154-F156 HydrophobicContact CG2-CD1 3.81Å; I154-F156 HydrophobicContact CG2-CE1 3.98Å; I154-F230 HydrophobicContact CG2-CE1 4.22Å; I154-I237 HydrophobicContact CD1-CD1 3.3Å; I154-I237 HydrophobicContact CD1-CG1 4.29Å; I154-F340 HydrophobicContact CD1-CD2 4.25Å; I154-S341 PolarHBondContact N-O 2.93Å; I154-F342 HydrophobicContact CB-CD1 3.8Å; I154-F342 HydrophobicContact CB-CE1 4Å; I154-F342 HydrophobicContact CD1-CE1 3.93Å; I154-F342 HydrophobicContact CD1-CZ 4.5Å; I154-F342 HydrophobicContact CG2-CD1 3.95Å; I154-F342 HydrophobicContact CG2-CE1 3.95Å; I154-F342 WeakPolarHBondContact O-CA 3.47Å; I154-D343 PolarHBondContact O-N 3.01Å
155A92.5Very high89.9Confident43 Ų4365.5 Ų65.536%0.35534%0.341SS..EExtended strand (participates in β ladder)trans-103.2118.6175.200000109.5Y167 D343A155-Y167 PolarHBondContact N-OH 3Å; A155-Y167 WeakPolarHBondContact O-CE2 3.4Å; A155-Y167 PolarHBondContact O-OH 2.72Å; A155-D343 VanDerWaalsContact CA-O 3.26Å; A155-D343 WeakPolarHBondContact CA-O 3.46Å; A155-D343 HydrophobicContact CB-CB 4.09Å
156F92.5Very high89.9Confident10 Ų1071 Ų714%0.04436%0.363CS..EExtended strand (participates in β ladder)trans-152.7157.9174.169.5-83.9000111.6I154 W164 Y167 F230 P235 D343 V344 G345I154-F156 HydrophobicContact CG2-CD1 3.81Å; I154-F156 HydrophobicContact CG2-CE1 3.98Å; F156-W164 HydrophobicContact CB-CB 4.17Å; F156-W164 HydrophobicContact CD2-CB 4.17Å; F156-W164 HydrophobicContact CG-CB 4.34Å; F156-Y167 HydrophobicContact CB-CD2 4.37Å; F156-Y167 HydrophobicContact CB-CE2 4.01Å; F156-F230 AromaticContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CE1 4.07Å; F156-F230 HydrophobicContact CD2-CD1 4.14Å; F156-F230 AromaticContact CE1-CD1 3.64Å; F156-F230 HydrophobicContact CE1-CD1 3.64Å; F156-F230 AromaticContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE2-CB 4.37Å; F156-F230 AromaticContact CE2-CD1 3.94Å; F156-F230 HydrophobicContact CE2-CD1 3.94Å; F156-F230 WeakPolarHBondContact CE2-O 3.16Å; F156-F230 HydrophobicContact CG-CD1 4.11Å; F156-F230 AromaticContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CE1 4.32Å; F156-P235 HydrophobicContact CE1-CB 4.02Å; F156-P235 HydrophobicContact CE1-CG 4.02Å; F156-P235 HydrophobicContact CZ-CB 3.93Å; F156-P235 HydrophobicContact CZ-CG 3.9Å; F156-D343 PolarHBondContact N-O 3.38Å; F156-V344 HydrophobicContact CD1-CG2 4.23Å; F156-V344 HydrophobicContact CE1-CG1 4.39Å; F156-V344 HydrophobicContact CE1-CG2 3.57Å; F156-V344 HydrophobicContact CE2-CG1 3.9Å; F156-V344 HydrophobicContact CZ-CB 4.44Å; F156-V344 HydrophobicContact CZ-CG1 3.8Å; F156-V344 HydrophobicContact CZ-CG2 3.76Å; F156-V344 CarbonylContact O-C 3.34Å; F156-V344 WeakPolarHBondContact O-CA 3.39Å; F156-G345 PolarHBondContact O-N 3.23Å
157N93.2Very high89.9Confident53 Ų5371.4 Ų71.428%0.28336%0.364SS..EExtended strand (participates in β ladder)trans-108.5127.4172177.3-54.9000108.2S159 D160 S163 G345 A346N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.4Å; N157-S159 WeakPolarHBondContact OD1-CA 3.45Å; N157-S159 VanDerWaalsContact OD1-CB 3.28Å; N157-S159 WeakPolarHBondContact OD1-CB 3.49Å; N157-S159 PolarHBondContact OD1-N 3.47Å; N157-D160 HydrophobicContact CB-CB 4.23Å; N157-D160 PolarHBondContact O-N 2.79Å; N157-D160 PolarHBondContact OD1-N 3.26Å; N157-S163 PolarHBondContact N-OG 2.83Å; N157-S163 PolarHBondContact O-OG 2.69Å; N157-G345 WeakPolarHBondContact CA-O 3.45Å; N157-A346 VanDerWaalsContact CG-O 3.31Å; N157-A346 PolarHBondContact ND2-O 2.99Å; N157-A346 PolarHBondContact OD1-O 3.42Å; N157-A346 PolarHBondContact OD1-OXT 3.31Å
158A90.4Very high90.2Very high11 Ų1169 Ų699%0.09136%0.355CS..SBendtrans-62.2-40.2-176.400000112.1W164 Y310 G345A158-W164 PolarHBondContact O-NE1 3.26Å; A158-Y310 HydrophobicContact CB-CE1 4.16Å; A158-G345 PolarHBondContact N-O 3.12Å
159S90.4Very high90.5Very high99 Ų9973.6 Ų73.669%0.69237%0.373SS*.SBendtrans-67.4-35.5176.4-64.20000113.5N157 R161 A346N157-S159 VanDerWaalsContact C-N 3.32Å; N157-S159 PolarHBondContact O-N 3.4Å; N157-S159 WeakPolarHBondContact OD1-CA 3.45Å; N157-S159 VanDerWaalsContact OD1-CB 3.28Å; N157-S159 WeakPolarHBondContact OD1-CB 3.49Å; N157-S159 PolarHBondContact OD1-N 3.47Å; S159-R161 PolarHBondContact O-N 3.12Å; S159-A346 VanDerWaalsContact CB-OXT 3.28Å; S159-A346 WeakPolarHBondContact CB-OXT 3.29Å; S159-A346 PolarHBondContact N-OXT 2.94Å; S159-A346 PolarHBondContact OG-OXT 3.42Å
160D93.7Very high91.2Very high74 Ų7469.8 Ų69.840%0.39635%0.352SS..  trans-87.5105.3179.7-178.623.8000113.3N157 K162 S163 W164N157-D160 HydrophobicContact CB-CB 4.23Å; N157-D160 PolarHBondContact O-N 2.79Å; N157-D160 PolarHBondContact OD1-N 3.26Å; D160-K162 PolarHBondContact O-N 2.88Å; D160-K162 PolarHBondContact OD1-N 2.56Å; D160-S163 WeakPolarHBondContact O-CB 2.95Å; D160-S163 PolarHBondContact O-N 2.87Å; D160-S163 VanDerWaalsContact O-N 3.17Å; D160-S163 PolarHBondContact O-OG 2.94Å; D160-S163 PolarHBondContact OD2-N 2.79Å; D160-W164 PolarHBondContact O-NE1 2.62Å
161R93Very high92Very high155 Ų15567.2 Ų67.259%0.58533%0.326SS*.Hα-helixtrans-54.6-33.7173.9-176.4172.7-174-170.54.6114.2S159 S163 W164 K165S159-R161 PolarHBondContact O-N 3.12Å; R161-S163 VanDerWaalsContact C-N 3.3Å; R161-S163 PolarHBondContact O-N 3.17Å; R161-W164 HydrophobicContact CB-CZ2 3.95Å; R161-W164 HydrophobicContact CG-CH2 3.82Å; R161-W164 HydrophobicContact CG-CZ2 3.71Å; R161-K165 WeakPolarHBondContact O-CB 3.24Å; R161-K165 PolarHBondContact O-N 2.77Å
162K92.1Very high92.4Very high173 Ų17364.1 Ų64.175%0.75231%0.311SS*.Hα-helixtrans-69.8-32.3-176.8-69.2179.3-178.1173.50111.7D160D160-K162 PolarHBondContact O-N 2.88Å; D160-K162 PolarHBondContact OD1-N 2.56Å
163S91.7Very high92.7Very high28 Ų2866.3 Ų66.320%0.19632%0.324CS..Hα-helixtrans-62.8-53.2179.477.60000111.5N157 D160 R161N157-S163 PolarHBondContact N-OG 2.83Å; N157-S163 PolarHBondContact O-OG 2.69Å; D160-S163 WeakPolarHBondContact O-CB 2.95Å; D160-S163 PolarHBondContact O-N 2.87Å; D160-S163 VanDerWaalsContact O-N 3.17Å; D160-S163 PolarHBondContact O-OG 2.94Å; D160-S163 PolarHBondContact OD2-N 2.79Å; R161-S163 VanDerWaalsContact C-N 3.3Å; R161-S163 PolarHBondContact O-N 3.17Å
164W92Very high92.8Very high17 Ų1764.2 Ų64.26%0.06431%0.314CS..Hα-helixtrans-90.8-16.8-172.156.4-105.9000115.7F156 A158 D160 R161 K166 Y167 A168 H227 F230F156-W164 HydrophobicContact CB-CB 4.17Å; F156-W164 HydrophobicContact CD2-CB 4.17Å; F156-W164 HydrophobicContact CG-CB 4.34Å; A158-W164 PolarHBondContact O-NE1 3.26Å; D160-W164 PolarHBondContact O-NE1 2.62Å; R161-W164 HydrophobicContact CB-CZ2 3.95Å; R161-W164 HydrophobicContact CG-CH2 3.82Å; R161-W164 HydrophobicContact CG-CZ2 3.71Å; W164-K166 PolarHBondContact O-N 2.93Å; W164-K166 VanDerWaalsContact O-N 3.1Å; W164-Y167 HydrophobicContact CB-CD2 4.5Å; W164-Y167 PolarHBondContact O-N 3.15Å; W164-A168 HydrophobicContact CE3-CB 4.32Å; W164-A168 PolarHBondContact O-N 3.26Å; W164-H227 HydrophobicContact CE3-CB 4.45Å; W164-H227 HydrophobicContact CH2-CB 4.12Å; W164-H227 AromaticContact CH2-CD2 3.27Å; W164-H227 WeakPolarHBondContact CH2-CD2 3.44Å; W164-H227 AromaticContact CH2-CG 3.83Å; W164-H227 HydrophobicContact CZ3-CB 3.88Å; W164-H227 AromaticContact CZ3-CD2 3.46Å; W164-H227 VanDerWaalsContact CZ3-CD2 3.46Å; W164-H227 WeakPolarHBondContact CZ3-CD2 3.34Å; W164-H227 AromaticContact CZ3-CG 3.96Å; W164-F230 HydrophobicContact CB-CB 3.64Å; W164-F230 HydrophobicContact CB-CD1 4.19Å; W164-F230 HydrophobicContact CB-CG 4.05Å; W164-F230 HydrophobicContact CD2-CB 4.15Å; W164-F230 HydrophobicContact CE3-CB 4.36Å; W164-F230 HydrophobicContact CG-CB 3.85Å
165K93.8Very high92.9Very high126 Ų12664.2 Ų64.255%0.54831%0.314SS..Hα-helixtrans-55.6-31.9179.2179.5178.8-179.3-176.80112.8R161 K169R161-K165 WeakPolarHBondContact O-CB 3.24Å; R161-K165 PolarHBondContact O-N 2.77Å; K165-K169 WeakPolarHBondContact O-CB 3.03Å; K165-K169 PolarHBondContact O-N 3.17Å
166K93.1Very high92.9Very high127 Ų12768.2 Ų68.255%0.55232%0.32SS*.Hα-helixtrans-63.3-48.3176-66.9179.9-178.4179.50111.3L148 W164 K169 L170L148-K166 HydrophobicContact CD1-CB 4.39Å; L148-K166 HydrophobicContact CD1-CD 4.38Å; L148-K166 HydrophobicContact CD2-CD 4.43Å; W164-K166 PolarHBondContact O-N 2.93Å; W164-K166 VanDerWaalsContact O-N 3.1Å; K166-K169 PolarHBondContact O-N 2.63Å; K166-L170 WeakPolarHBondContact O-CG 3.07Å; K166-L170 PolarHBondContact O-N 3.31Å; K166-L170 VanDerWaalsContact O-N 3.14Å
167Y93.2Very high92.9Very high11 Ų1170.7 Ų70.74%0.04334%0.338CS..Hα-helixtrans-62.9-46178-60.1-62.3000111.8P146 L148 A155 F156 W164 K169 L170 M171 F230P146-Y167 HydrophobicContact CB-CD1 4.09Å; P146-Y167 HydrophobicContact CG-CD1 3.81Å; P146-Y167 HydrophobicContact CG-CG 4.15Å; L148-Y167 HydrophobicContact CB-CE1 3.86Å; L148-Y167 HydrophobicContact CD2-CE1 4.27Å; A155-Y167 PolarHBondContact N-OH 3Å; A155-Y167 WeakPolarHBondContact O-CE2 3.4Å; A155-Y167 PolarHBondContact O-OH 2.72Å; F156-Y167 HydrophobicContact CB-CD2 4.37Å; F156-Y167 HydrophobicContact CB-CE2 4.01Å; W164-Y167 HydrophobicContact CB-CD2 4.5Å; W164-Y167 PolarHBondContact O-N 3.15Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 2.92Å; Y167-L170 PolarHBondContact O-N 3.02Å; Y167-M171 VanDerWaalsContact O-CG 3.28Å; Y167-M171 WeakPolarHBondContact O-CG 3.46Å; Y167-M171 PolarHBondContact O-N 3.1Å; Y167-F230 HydrophobicContact CD2-CE1 4.28Å; Y167-F230 HydrophobicContact CG-CE1 4.29Å; Y167-F230 HydrophobicContact CG-CZ 4.34Å
168A93.6Very high92.9Very high9 Ų968.3 Ų68.37%0.07433%0.325CS..Hα-helixtrans-59.9-39.7177.500000112.4W164 M171 E172 F228W164-A168 HydrophobicContact CE3-CB 4.32Å; W164-A168 PolarHBondContact O-N 3.26Å; A168-M171 PolarHBondContact O-N 3.07Å; A168-E172 WeakPolarHBondContact O-CB 3.39Å; A168-E172 PolarHBondContact O-N 3.49Å; A168-F228 HydrophobicContact CB-CD2 4.15Å; A168-F228 WeakPolarHBondContact O-CE2 3.47Å
169K93.8Very high93.1Very high140 Ų14070.3 Ų70.361%0.60934%0.335SS*.Hα-helixtrans-64.3-43.2176.6-174.1-175.8174.7-1700112.2K165 K166 Y167 M171 E172 E173K165-K169 WeakPolarHBondContact O-CB 3.03Å; K165-K169 PolarHBondContact O-N 3.17Å; K166-K169 PolarHBondContact O-N 2.63Å; Y167-K169 VanDerWaalsContact C-N 3.31Å; Y167-K169 PolarHBondContact O-N 2.92Å; K169-M171 VanDerWaalsContact C-N 3.35Å; K169-E172 PolarHBondContact O-N 3.38Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.94Å
170L93.3Very high93.3Very high60 Ų6067.6 Ų67.631%0.31431%0.312SS..Hα-helixtrans-63.5-42.2177.6-70.1170.9000111.4P146 L148 K166 Y167 E173 Q174P146-L170 HydrophobicContact CB-CB 4.12Å; P146-L170 HydrophobicContact CB-CD1 4.37Å; L148-L170 HydrophobicContact CD1-CD1 4.21Å; K166-L170 WeakPolarHBondContact O-CG 3.07Å; K166-L170 PolarHBondContact O-N 3.31Å; K166-L170 VanDerWaalsContact O-N 3.14Å; Y167-L170 PolarHBondContact O-N 3.02Å; L170-E173 PolarHBondContact O-N 3.43Å; L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 PolarHBondContact O-N 3.03Å
171M93.4Very high93.3Very high0 Ų067.6 Ų67.60%032%0.322CS..Hα-helixtrans-60.4-47.3175.3-71.5-79.9-75.800111.7P146 Y167 A168 K169 E173 Q174 L175 F228 C236 L238P146-M171 HydrophobicContact CB-CG 4.06Å; P146-M171 HydrophobicContact CB-SD 4.41Å; P146-M171 HydrophobicContact CG-CG 3.92Å; P146-M171 HydrophobicContact CG-SD 4.2Å; Y167-M171 VanDerWaalsContact O-CG 3.28Å; Y167-M171 WeakPolarHBondContact O-CG 3.46Å; Y167-M171 PolarHBondContact O-N 3.1Å; A168-M171 PolarHBondContact O-N 3.07Å; K169-M171 VanDerWaalsContact C-N 3.35Å; M171-E173 PolarHBondContact O-N 3.17Å; M171-Q174 PolarHBondContact O-N 3.43Å; M171-L175 WeakPolarHBondContact O-CB 3.39Å; M171-L175 WeakPolarHBondContact O-CG 3.48Å; M171-L175 PolarHBondContact O-N 2.98Å; M171-F228 HydrophobicContact CB-CD1 4.28Å; M171-F228 HydrophobicContact CB-CD2 3.85Å; M171-F228 HydrophobicContact CB-CE1 4.19Å; M171-F228 HydrophobicContact CB-CE2 3.74Å; M171-F228 HydrophobicContact CB-CG 4.12Å; M171-F228 HydrophobicContact CB-CZ 3.91Å; M171-F228 HydrophobicContact CE-CB 4.26Å; M171-F228 HydrophobicContact CE-CD1 3.77Å; M171-F228 HydrophobicContact CE-CE1 4.35Å; M171-F228 HydrophobicContact CE-CG 4.09Å; M171-C236 HydrophobicContact CE-CB 4.31Å; M171-C236 VanDerWaalsContact CE-O 3.26Å; M171-C236 WeakPolarHBondContact CE-O 3.36Å; M171-L238 HydrophobicContact CE-CD1 3.92Å; M171-L238 HydrophobicContact CE-CD2 4.1Å; M171-L238 HydrophobicContact CE-CG 3.6Å; M171-L238 HydrophobicContact SD-CD1 3.71Å; M171-L238 HydrophobicContact SD-CG 3.7Å
172E94.1Very high93.3Very high60 Ų6063.6 Ų63.628%0.2831%0.312SS..Hα-helixtrans-59.2-48.6176.4-178.257.9-14400111.4A168 K169 Q174 L175 R176 R214 F228A168-E172 WeakPolarHBondContact O-CB 3.39Å; A168-E172 PolarHBondContact O-N 3.49Å; K169-E172 PolarHBondContact O-N 3.38Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 2.98Å; E172-L175 PolarHBondContact O-N 3.22Å; E172-L175 VanDerWaalsContact O-N 3.12Å; E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 3.18Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E172-R214 IonicContact OE1-CZ 3.54Å; E172-R214 IonicContact OE1-NH1 3.49Å; E172-R214 PolarHBondContact OE1-NH1 2.93Å; E172-R214 IonicContact OE1-NH2 3.09Å; E172-R214 IonicContact OE2-CZ 2.77Å; E172-R214 IonicContact OE2-NH1 3.91Å; E172-R214 PolarHBondContact OE2-NH1 3.39Å; E172-R214 IonicContact OE2-NH2 2.77Å; E172-R214 PolarHBondContact OE2-NH2 2.87Å; E172-F228 HydrophobicContact CB-CE2 4.33Å; E172-F228 HydrophobicContact CB-CZ 4.5Å
173E93.9Very high93.4Very high102 Ų10255.7 Ų55.748%0.47728%0.278SS..Hα-helixtrans-59.9-40.6-179.9-177.8162-157.800112.4K169 L170 M171 R176K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.94Å; L170-E173 PolarHBondContact O-N 3.43Å; M171-E173 PolarHBondContact O-N 3.17Å; E173-R176 PolarHBondContact O-N 2.96Å
174Q92.3Very high93.4Very high50 Ų5059.3 Ų59.323%0.23429%0.292CS..Hα-helixtrans-66.9-36175.2178.1165.5-28.200113S145 L170 M171 E172 Y178S145-Q174 VanDerWaalsContact CB-NE2 3.35Å; S145-Q174 PolarHBondContact OG-NE2 3.43Å; S145-Q174 PolarHBondContact OG-OE1 3.38Å; L170-Q174 WeakPolarHBondContact O-CB 3.5Å; L170-Q174 PolarHBondContact O-N 3.03Å; M171-Q174 PolarHBondContact O-N 3.43Å; E172-Q174 VanDerWaalsContact C-N 3.3Å; E172-Q174 PolarHBondContact O-N 2.98Å; Q174-Y178 WeakPolarHBondContact O-CD2 3.49Å; Q174-Y178 WeakPolarHBondContact O-CE2 3.08Å
175L94.1Very high93.4Very high0 Ų066 Ų660%032%0.324CS..Hα-helixtrans-80.9-11.6-178.9-70.5177.2000114M171 E172 S177 Y178 L217 F228 L238M171-L175 WeakPolarHBondContact O-CB 3.39Å; M171-L175 WeakPolarHBondContact O-CG 3.48Å; M171-L175 PolarHBondContact O-N 2.98Å; E172-L175 PolarHBondContact O-N 3.22Å; E172-L175 VanDerWaalsContact O-N 3.12Å; L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.36Å; L175-Y178 HydrophobicContact CD2-CD2 4.15Å; L175-Y178 WeakPolarHBondContact O-CA 3.12Å; L175-Y178 WeakPolarHBondContact O-CB 3.44Å; L175-Y178 PolarHBondContact O-N 3.06Å; L175-L217 HydrophobicContact CD1-CD1 4.22Å; L175-L217 HydrophobicContact CD2-CD1 3.45Å; L175-L217 VanDerWaalsContact CD2-CD1 3.45Å; L175-F228 HydrophobicContact CD1-CE1 3.51Å; L175-F228 HydrophobicContact CD1-CZ 3.99Å; L175-L238 HydrophobicContact CD1-CD1 4.19Å; L175-L238 HydrophobicContact CD2-CD1 3.76Å; L175-L238 HydrophobicContact CG-CD1 3.89Å
176R93.3Very high93.3Very high128 Ų12867.5 Ų67.548%0.48333%0.326SS..G310 helixtrans-53.5-38.7178.5-77175.5-175.1166.5-0.3113.7E172 E173 Y178 N179E172-R176 WeakPolarHBondContact O-CG 3.27Å; E172-R176 PolarHBondContact O-N 3.18Å; E172-R176 VanDerWaalsContact O-N 3.08Å; E173-R176 PolarHBondContact O-N 2.96Å; R176-Y178 PolarHBondContact O-N 3.02Å; R176-N179 PolarHBondContact O-N 3.09Å; R176-N179 PolarHBondContact O-ND2 2.97Å
177S92Very high93.3Very high61 Ų6161.8 Ų61.843%0.42730%0.302SS..G310 helixtrans-69.7-15.9178.658.30000113.7L175 Q183L175-S177 VanDerWaalsContact C-N 3.25Å; L175-S177 PolarHBondContact O-N 3.36Å; S177-Q183 PolarHBondContact O-NE2 3.33Å
178Y94.3Very high93.3Very high4 Ų464.1 Ų64.12%0.01631%0.314CS..G310 helixtrans-99.31.8-176.6-60.4-88000113.2Q174 L175 R176 D180 F212 R214 T297 A298 V300Q174-Y178 WeakPolarHBondContact O-CD2 3.49Å; Q174-Y178 WeakPolarHBondContact O-CE2 3.08Å; L175-Y178 HydrophobicContact CD2-CD2 4.15Å; L175-Y178 WeakPolarHBondContact O-CA 3.12Å; L175-Y178 WeakPolarHBondContact O-CB 3.44Å; L175-Y178 PolarHBondContact O-N 3.06Å; R176-Y178 PolarHBondContact O-N 3.02Å; Y178-D180 PolarHBondContact O-N 3.12Å; Y178-F212 HydrophobicContact CD1-CB 4.2Å; Y178-F212 AromaticContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CD1 3.48Å; Y178-F212 VanDerWaalsContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CE1 4.25Å; Y178-F212 HydrophobicContact CD1-CG 4.15Å; Y178-F212 AromaticContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CG 4.41Å; Y178-F212 HydrophobicContact CG-CD1 4.37Å; Y178-R214 WeakPolarHBondContact O-CB 3.45Å; Y178-R214 PolarHBondContact O-N 3.32Å; Y178-T297 HydrophobicContact CD1-CG2 4.21Å; Y178-T297 HydrophobicContact CE1-CG2 4.08Å; Y178-A298 VanDerWaalsContact CE1-O 3.27Å; Y178-A298 WeakPolarHBondContact CE1-O 3.49Å; Y178-A298 PolarHBondContact OH-O 2.81Å; Y178-A298 VanDerWaalsContact OH-O 3.04Å; Y178-V300 HydrophobicContact CE1-CG2 4.08Å; Y178-V300 HydrophobicContact CE2-CG2 4.37Å; Y178-V300 WeakPolarHBondContact OH-CG2 3.43Å
179N94.4Very high93.2Very high53 Ų5371.1 Ų71.128%0.28335%0.345SS..  trans-54.2131.9177.8-73.1-16000111.1R176 A181 L182 Q183 R214R176-N179 PolarHBondContact O-N 3.09Å; R176-N179 PolarHBondContact O-ND2 2.97Å; N179-A181 VanDerWaalsContact C-N 3.32Å; N179-A181 PolarHBondContact O-N 3.49Å; N179-L182 HydrophobicContact CB-CD1 4.37Å; N179-L182 PolarHBondContact O-N 3.49Å; N179-Q183 PolarHBondContact O-N 3.49Å; N179-R214 WeakPolarHBondContact OD1-CD 3.42Å; N179-R214 PolarHBondContact OD1-NH1 3.45Å; N179-R214 VanDerWaalsContact OD1-NH1 3.16Å
180D94.4Very high93.1Very high41 Ų4165.4 Ų65.422%0.21932%0.323CS..Hα-helixtrans-55.8-44.1-169.3-66.416.3000112.5Y178 L182 Q183 E184 K213 R214 S215Y178-D180 PolarHBondContact O-N 3.12Å; D180-L182 PolarHBondContact O-N 3.35Å; D180-Q183 PolarHBondContact O-N 3.14Å; D180-E184 WeakPolarHBondContact O-CB 3.4Å; D180-E184 WeakPolarHBondContact O-CG 3.46Å; D180-E184 PolarHBondContact O-N 2.92Å; D180-K213 WeakPolarHBondContact OD1-CB 3.14Å; D180-R214 PolarHBondContact OD1-N 3.23Å; D180-S215 PolarHBondContact OD1-N 2.98Å; D180-S215 WeakPolarHBondContact OD2-CB 3.24Å; D180-S215 PolarHBondContact OD2-OG 3.45Å
181A93.7Very high92.8Very high74 Ų7466.2 Ų66.261%0.61233%0.332SS*.Hα-helixtrans-61.2-39.9178.300000113.3N179 Q185N179-A181 VanDerWaalsContact C-N 3.32Å; N179-A181 PolarHBondContact O-N 3.49Å; A181-Q185 WeakPolarHBondContact O-CB 3.34Å; A181-Q185 PolarHBondContact O-N 3.2Å
182L93.1Very high92.1Very high72 Ų7273 Ų7338%0.37736%0.363SS..Hα-helixtrans-70.5-37.7178-70.7177.7000111.3N179 D180 R186N179-L182 HydrophobicContact CB-CD1 4.37Å; N179-L182 PolarHBondContact O-N 3.49Å; D180-L182 PolarHBondContact O-N 3.35Å; L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 PolarHBondContact O-N 2.66Å; L182-R186 VanDerWaalsContact O-N 3.11Å
183Q93.7Very high91.5Very high6 Ų675 Ų753%0.02838%0.376CS..Hα-helixtrans-68.6-42.6178.7-70.3-69.1-52.700111.3S177 N179 D180 Q185 R186 N187 F212 T297S177-Q183 PolarHBondContact O-NE2 3.33Å; N179-Q183 PolarHBondContact O-N 3.49Å; D180-Q183 PolarHBondContact O-N 3.14Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.13Å; Q183-R186 PolarHBondContact O-N 3.24Å; Q183-N187 WeakPolarHBondContact O-CA 3.15Å; Q183-N187 VanDerWaalsContact O-CB 3.32Å; Q183-N187 WeakPolarHBondContact O-CB 3.19Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact OE1-ND2 3.18Å; Q183-F212 WeakPolarHBondContact CG-O 3.13Å; Q183-F212 VanDerWaalsContact OE1-N 3.15Å; Q183-T297 PolarHBondContact OE1-OG1 3.27Å; Q183-T297 VanDerWaalsContact OE1-OG1 3.1Å
184E92.7Very high91.3Very high105 Ų10572.4 Ų72.449%0.49137%0.372SS..Hα-helixtrans-65-35.1177-73.9178.1176.600112.7D180 K213D180-E184 WeakPolarHBondContact O-CB 3.4Å; D180-E184 WeakPolarHBondContact O-CG 3.46Å; D180-E184 PolarHBondContact O-N 2.92Å; E184-K213 VanDerWaalsContact OE1-CE 3.24Å; E184-K213 WeakPolarHBondContact OE1-CE 3.32Å; E184-K213 IonicContact OE1-NZ 2.74Å; E184-K213 PolarHBondContact OE1-NZ 3.39Å
185Q92.4Very high91.3Very high157 Ų15772.6 Ų72.673%0.73437%0.371SS*.Hα-helixtrans-73.1-38.8178-171.6-177.723.300113A181 Q183A181-Q185 WeakPolarHBondContact O-CB 3.34Å; A181-Q185 PolarHBondContact O-N 3.2Å; Q183-Q185 VanDerWaalsContact C-N 3.32Å; Q183-Q185 PolarHBondContact O-N 3.13Å
186R90.8Very high91.2Very high157 Ų15774.6 Ų74.659%0.59238%0.38SS*.Hα-helixtrans-98.3-28.4-169.1-72.3-176.9152.1-172.3-7.4114.7L182 Q183 N295L182-R186 WeakPolarHBondContact O-CB 3.3Å; L182-R186 PolarHBondContact O-N 2.66Å; L182-R186 VanDerWaalsContact O-N 3.11Å; Q183-R186 PolarHBondContact O-N 3.24Å; R186-N295 HydrophobicContact CB-CB 4.14Å
187N93.5Very high91.1Very high8 Ų872.5 Ų72.54%0.04338%0.376CS..  trans-121.5164.5-166.7-65.9-16.1000110.9Q183 S209 Q211 N295Q183-N187 WeakPolarHBondContact O-CA 3.15Å; Q183-N187 VanDerWaalsContact O-CB 3.32Å; Q183-N187 WeakPolarHBondContact O-CB 3.19Å; Q183-N187 PolarHBondContact O-N 3.36Å; Q183-N187 PolarHBondContact OE1-ND2 3.18Å; N187-S209 WeakPolarHBondContact CB-O 3.28Å; N187-S209 WeakPolarHBondContact OD1-CB 3.38Å; N187-Q211 HydrophobicContact CB-CB 4.42Å; N187-Q211 HydrophobicContact CB-CG 3.61Å; N187-Q211 PolarHBondContact O-NE2 3.11Å; N187-N295 PolarHBondContact ND2-O 3.24Å; N187-N295 WeakPolarHBondContact OD1-CB 2.99Å; N187-N295 PolarHBondContact OD1-O 3.27Å
188I93.2Very high90.9Very high60 Ų6070.2 Ų70.231%0.30836%0.359SS..BIsolated β-bridgetrans-110.8161.4-178.959.2165.3000112F196 K208 S209 C210 Q211I188-F196 HydrophobicContact CD1-CE1 3.94Å; I188-F196 HydrophobicContact CD1-CZ 3.6Å; I188-K208 HydrophobicContact CD1-CB 3.74Å; I188-K208 HydrophobicContact CD1-CD 3.79Å; I188-K208 HydrophobicContact CD1-CG 4.42Å; I188-K208 HydrophobicContact CG1-CB 4.05Å; I188-K208 HydrophobicContact CG2-CD 4.19Å; I188-S209 WeakPolarHBondContact CG1-O 3.28Å; I188-S209 PolarHBondContact N-O 3.22Å; I188-C210 WeakPolarHBondContact O-CA 3.37Å; I188-Q211 WeakPolarHBondContact O-CG 3.35Å; I188-Q211 PolarHBondContact O-N 3.06Å
189Q91.8Very high90.3Very high156 Ų15674.8 Ų74.873%0.72938%0.384SS*.  trans-79.3126.1170.5-64.8-179.510.500109.4
190C90.6Very high89.6Confident20 Ų2080.2 Ų80.214%0.13541%0.413CS..  trans-104.2155-177.5-68.70000111.6Q192 C210 M283C190-Q192 PolarHBondContact O-N 2.85Å; C190-C210 HydrophobicContact CB-CB 3.74Å; C190-C210 WeakPolarHBondContact CB-SG 2.95Å; C190-C210 WeakPolarHBondContact SG-CA 3.5Å; C190-C210 WeakPolarHBondContact SG-CB 3.16Å; C190-C210 CovalentContact SG-SG 2.02Å; C190-C210 PolarHBondContact SG-SG 3.1Å; C190-M283 HydrophobicContact CB-CB 4.12Å; C190-M283 HydrophobicContact CB-CG 4.42Å; C190-M283 HydrophobicContact CB-SD 4.21Å
191P86.6Confident89Confident77 Ų7782 Ų8250%0.542%0.42SS..  trans-62.7134.817227.6-34.1000110M283P191-M283 WeakPolarHBondContact O-CB 3.14Å
192Q80.2Confident88.5Confident142 Ų14285.6 Ų85.666%0.66442%0.424SS*.THydrogen-bonded Turntrans-74.6148.3176.6-65-176.9-1000110.2C190 A194 M283C190-Q192 PolarHBondContact O-N 2.85Å; Q192-A194 VanDerWaalsContact C-N 3.26Å; Q192-A194 PolarHBondContact O-N 3.45Å; Q192-M283 HydrophobicContact CG-SD 4.34Å
193D81.1Confident87.9Confident103 Ų10386.7 Ų86.755%0.55143%0.427SS*.THydrogen-bonded Turntrans70.57.4168.3-52.2-31.4000116.7N281D193-N281 PolarHBondContact N-OD1 3.5Å; D193-N281 PolarHBondContact OD1-ND2 3.29Å
194A89.4Confident87.3Confident47 Ų4789.6 Ų89.639%0.38845%0.448SS..SBendtrans-123.7158.4170.700000111.2Q192 L282 M283Q192-A194 VanDerWaalsContact C-N 3.26Å; Q192-A194 PolarHBondContact O-N 3.45Å; A194-L282 CarbonylContact O-C 3.53Å; A194-M283 WeakPolarHBondContact O-CA 3.38Å; A194-M283 PolarHBondContact O-N 3.45Å; A194-M283 VanDerWaalsContact O-N 3.12Å
195Y91.7Very high87.1Confident53 Ų5386 Ų8621%0.20844%0.436CS..  trans-69.8140.2171.3-62.2-63.6000110.9M197 L248 P249 Q251 G252 L282Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 3.28Å; Y195-M197 VanDerWaalsContact O-N 3.17Å; Y195-L248 HydrophobicContact CD1-CD2 3.71Å; Y195-L248 HydrophobicContact CD2-CD2 4.31Å; Y195-L248 HydrophobicContact CE1-CB 4.15Å; Y195-L248 HydrophobicContact CE1-CD2 3.88Å; Y195-L248 HydrophobicContact CE2-CD2 4.46Å; Y195-L248 HydrophobicContact CG-CD2 3.91Å; Y195-P249 PolarHBondContact OH-O 2.89Å; Y195-Q251 PolarHBondContact OH-N 3.36Å; Y195-G252 PolarHBondContact OH-N 3.25Å; Y195-L282 HydrophobicContact CD1-CB 3.93Å; Y195-L282 HydrophobicContact CD1-CD2 4.48Å; Y195-L282 HydrophobicContact CE1-CB 4.02Å; Y195-L282 HydrophobicContact CE1-CD1 4.48Å; Y195-L282 HydrophobicContact CE1-CD2 3.71Å; Y195-L282 HydrophobicContact CE1-CG 4.27Å
196F91.9Very high87Confident42 Ų4285.4 Ų85.418%0.18443%0.433CS..  trans-91.974.2176.8-170-136.7000110.8I188 Q198 K208 C210 M283 Y285I188-F196 HydrophobicContact CD1-CE1 3.94Å; I188-F196 HydrophobicContact CD1-CZ 3.6Å; F196-Q198 VanDerWaalsContact CD1-NE2 3.28Å; F196-Q198 HydrophobicContact CE1-CG 4.31Å; F196-Q198 HydrophobicContact CE2-CG 4.47Å; F196-Q198 HydrophobicContact CZ-CG 4.16Å; F196-K208 HydrophobicContact CE1-CB 4.37Å; F196-K208 WeakPolarHBondContact CE1-O 3.26Å; F196-C210 VanDerWaalsContact CD1-SG 3.51Å; F196-M283 WeakPolarHBondContact CB-O 3.47Å; F196-Y285 PolarHBondContact N-O 2.86Å
197M90.8Very high87.1Confident84 Ų8478.8 Ų78.841%0.41441%0.408SS..  trans-73.9137.1176.9-53.6-65.6-66.200110Y195 D199 L248 P286Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 3.28Å; Y195-M197 VanDerWaalsContact O-N 3.17Å; M197-D199 WeakPolarHBondContact CE-OD2 3.42Å; M197-L248 HydrophobicContact SD-CD2 4.19Å; M197-P286 HydrophobicContact SD-CG 3.85Å
198Q88.5Confident87Confident13 Ų1384.1 Ų84.16%0.06143%0.431CS..  trans-128.835.2177.4-68.117541.200110.6F196 D200 R207 K208 Y288F196-Q198 VanDerWaalsContact CD1-NE2 3.28Å; F196-Q198 HydrophobicContact CE1-CG 4.31Å; F196-Q198 HydrophobicContact CE2-CG 4.47Å; F196-Q198 HydrophobicContact CZ-CG 4.16Å; Q198-D200 PolarHBondContact O-N 3.18Å; Q198-D200 VanDerWaalsContact O-N 3.12Å; Q198-R207 PolarHBondContact O-NH1 3.16Å; Q198-R207 VanDerWaalsContact OE1-CA 3.26Å; Q198-K208 PolarHBondContact NE2-O 2.77Å; Q198-Y288 HydrophobicContact CB-CE2 4.27Å; Q198-Y288 PolarHBondContact N-OH 3Å
199D81.4Confident87Confident101 Ų10181.4 Ų81.454%0.5442%0.418SS..THydrogen-bonded Turntrans-71.3-14.3-168.3-58.6-18.7000113.5M197 Q201 Y288M197-D199 WeakPolarHBondContact CE-OD2 3.42Å; D199-Q201 VanDerWaalsContact C-N 3.26Å; D199-Q201 PolarHBondContact O-N 2.8Å; D199-Y288 PolarHBondContact OD1-OH 2.82Å
200D79.9Confident87.1Confident167 Ų16774.2 Ų74.289%0.89339%0.385SS*.THydrogen-bonded Turntrans-72.2-10.6-177.9-56.8-42000114.9Q198Q198-D200 PolarHBondContact O-N 3.18Å; Q198-D200 VanDerWaalsContact O-N 3.12Å
201Q81.7Confident87.2Confident79 Ų7974.1 Ų74.137%0.36938%0.382SS..SBendtrans-100.4155179.6-27.1171.5-5100111.6D199 A205 R207D199-Q201 VanDerWaalsContact C-N 3.26Å; D199-Q201 PolarHBondContact O-N 2.8Å; Q201-A205 HydrophobicContact CB-CB 4.04Å; Q201-R207 VanDerWaalsContact CG-NH1 3.35Å; Q201-R207 PolarHBondContact O-NH2 3.41Å
202E83.8Confident87.6Confident149 Ų14970.8 Ų70.870%0.69636%0.36SS*.  trans-50.6151.4177-64.6-178.7179.200113.1S204 A205 R207E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å; E202-A205 HydrophobicContact CB-CB 4.41Å; E202-A205 WeakPolarHBondContact O-CB 3.44Å; E202-A205 PolarHBondContact O-N 3.08Å; E202-A205 VanDerWaalsContact O-N 3.08Å; E202-R207 PolarHBondContact O-NH2 2.84Å
203E80.1Confident88.3Confident95 Ų9565.9 Ų65.944%0.44434%0.336SS..THydrogen-bonded Turntrans-60-37.1-175.3-168.5176.1-173.100112.2Y129 H130 A205 R292Y129-E203 HydrophobicContact CD2-CG 3.88Å; Y129-E203 HydrophobicContact CG-CG 4.26Å; H130-E203 IonicContact CE1-OE1 2.63Å; H130-E203 IonicContact ND1-OE1 3.38Å; H130-E203 PolarHBondContact ND1-OE1 2.81Å; H130-E203 VanDerWaalsContact ND1-OE1 3.09Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 3.24Å; E203-R292 WeakPolarHBondContact O-CD 3.43Å
204S81Confident88.9Confident66 Ų6661.3 Ų61.346%0.46231%0.311SS..THydrogen-bonded Turntrans-77.4-13.6179.558.10000114.5E202E202-S204 VanDerWaalsContact C-N 3.25Å; E202-S204 PolarHBondContact O-N 3.29Å
205A89.3Confident89.1Confident29 Ų2961.4 Ų61.424%0.2431%0.309CS..SBendtrans-66.8141.2-174.500000112Q201 E202 E203 R207Q201-A205 HydrophobicContact CB-CB 4.04Å; E202-A205 HydrophobicContact CB-CB 4.41Å; E202-A205 WeakPolarHBondContact O-CB 3.44Å; E202-A205 PolarHBondContact O-N 3.08Å; E202-A205 VanDerWaalsContact O-N 3.08Å; E203-A205 VanDerWaalsContact C-N 3.33Å; E203-A205 PolarHBondContact O-N 3.24Å; A205-R207 PolarHBondContact O-N 2.82Å; A205-R207 PolarHBondContact O-NE 2.73Å
206E90.7Very high89.3Confident146 Ų14663.6 Ų63.668%0.68232%0.317SS*.PPolyproline II helixtrans-65.8131.1173.2-67.8-172.1-178.700110.7R292E206-R292 WeakPolarHBondContact CA-O 3.21Å
207R91.1Very high89.4Confident17 Ų1761.6 Ų61.66%0.06431%0.308CS..PPolyproline II helixtrans-94.8137.2-178.6-53.7-51.3176151.27110.3Q198 Q201 E202 A205 Y288 R292 H293Q198-R207 PolarHBondContact O-NH1 3.16Å; Q198-R207 VanDerWaalsContact OE1-CA 3.26Å; Q201-R207 VanDerWaalsContact CG-NH1 3.35Å; Q201-R207 PolarHBondContact O-NH2 3.41Å; E202-R207 PolarHBondContact O-NH2 2.84Å; A205-R207 PolarHBondContact O-N 2.82Å; A205-R207 PolarHBondContact O-NE 2.73Å; R207-Y288 HydrophobicContact CB-CD2 4.26Å; R207-Y288 HydrophobicContact CB-CG 4.42Å; R207-Y288 HydrophobicContact CG-CD1 4.44Å; R207-Y288 HydrophobicContact CG-CD2 4.16Å; R207-Y288 HydrophobicContact CG-CG 3.89Å; R207-R292 HydrophobicContact CG-CB 3.99Å; R207-R292 PolarHBondContact N-O 3.47Å; R207-H293 PolarHBondContact O-CD2 2.82Å
208K91.6Very high89.5Confident121 Ų12158.6 Ų58.653%0.52630%0.299SS..PPolyproline II helixtrans-77.5140.9178.8-63-173.3-178.81790110.3I188 F196 Q198 H293I188-K208 HydrophobicContact CD1-CB 3.74Å; I188-K208 HydrophobicContact CD1-CD 3.79Å; I188-K208 HydrophobicContact CD1-CG 4.42Å; I188-K208 HydrophobicContact CG1-CB 4.05Å; I188-K208 HydrophobicContact CG2-CD 4.19Å; F196-K208 HydrophobicContact CE1-CB 4.37Å; F196-K208 WeakPolarHBondContact CE1-O 3.26Å; Q198-K208 PolarHBondContact NE2-O 2.77Å; K208-H293 PolarHBondContact O-NE2 2.89Å
209S93.1Very high89.6Confident3 Ų361.9 Ų61.92%0.02131%0.314CS..PPolyproline II helixtrans-101.7149.5176.3-53.10000111.9N187 I188 H293 N295 Y296N187-S209 WeakPolarHBondContact CB-O 3.28Å; N187-S209 WeakPolarHBondContact OD1-CB 3.38Å; I188-S209 WeakPolarHBondContact CG1-O 3.28Å; I188-S209 PolarHBondContact N-O 3.22Å; S209-H293 WeakPolarHBondContact CA-NE2 3.33Å; S209-H293 WeakPolarHBondContact CB-NE2 3.23Å; S209-H293 PolarHBondContact OG-CD2 3.38Å; S209-H293 PolarHBondContact OG-NE2 3.05Å; S209-N295 VanDerWaalsContact OG-C 3.3Å; S209-Y296 WeakPolarHBondContact OG-CA 3.37Å; S209-Y296 PolarHBondContact OG-N 3.3Å; S209-Y296 VanDerWaalsContact OG-N 3.13Å
210C94Very high90.2Very high5 Ų557 Ų573%0.03429%0.289CS..BIsolated β-bridgetrans-77.4138.4171.4-56.20000110.9I188 C190 F196 M283 Y284I188-C210 WeakPolarHBondContact O-CA 3.37Å; C190-C210 HydrophobicContact CB-CB 3.74Å; C190-C210 WeakPolarHBondContact CB-SG 2.95Å; C190-C210 WeakPolarHBondContact SG-CA 3.5Å; C190-C210 WeakPolarHBondContact SG-CB 3.16Å; C190-C210 CovalentContact SG-SG 2.02Å; C190-C210 PolarHBondContact SG-SG 3.1Å; F196-C210 VanDerWaalsContact CD1-SG 3.51Å; C210-M283 PolarHBondContact SG-O 2.77Å; C210-Y284 HydrophobicContact CB-CD1 3.88Å; C210-Y284 HydrophobicContact CB-CE1 3.75Å
211Q94.2Very high90.9Very high18 Ų1849.2 Ų49.28%0.08425%0.247CC..PPolyproline II helixtrans-63.4135.2175-69.6171.16.800110.9N187 I188 W216 Y284N187-Q211 HydrophobicContact CB-CB 4.42Å; N187-Q211 HydrophobicContact CB-CG 3.61Å; N187-Q211 PolarHBondContact O-NE2 3.11Å; I188-Q211 WeakPolarHBondContact O-CG 3.35Å; I188-Q211 PolarHBondContact O-N 3.06Å; Q211-W216 WeakPolarHBondContact O-CZ3 3.43Å; Q211-Y284 PolarHBondContact O-OH 3.5Å
212F94.5Very high91.3Very high7 Ų746 Ų463%0.03123%0.234CC..  trans-126.1106.6163.2-174.4-79.6000108.5Y178 Q183 W216 L217 Y284 P299 V300Y178-F212 HydrophobicContact CD1-CB 4.2Å; Y178-F212 AromaticContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CD1 3.48Å; Y178-F212 VanDerWaalsContact CD1-CD1 3.48Å; Y178-F212 HydrophobicContact CD1-CE1 4.25Å; Y178-F212 HydrophobicContact CD1-CG 4.15Å; Y178-F212 AromaticContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CD1 4Å; Y178-F212 HydrophobicContact CE1-CG 4.41Å; Y178-F212 HydrophobicContact CG-CD1 4.37Å; Q183-F212 WeakPolarHBondContact CG-O 3.13Å; Q183-F212 VanDerWaalsContact OE1-N 3.15Å; F212-W216 HydrophobicContact CD2-CE3 4.14Å; F212-W216 HydrophobicContact CD2-CZ3 4.33Å; F212-W216 HydrophobicContact CE2-CE3 4.35Å; F212-W216 HydrophobicContact CG-CE3 4.38Å; F212-L217 HydrophobicContact CE1-CD1 4.4Å; F212-L217 HydrophobicContact CE1-CD2 4.13Å; F212-L217 HydrophobicContact CE1-CG 4.13Å; F212-L217 HydrophobicContact CZ-CD2 3.93Å; F212-L217 HydrophobicContact CZ-CG 4.37Å; F212-Y284 HydrophobicContact CB-CE1 3.98Å; F212-Y284 HydrophobicContact CD2-CE1 4.43Å; F212-Y284 HydrophobicContact CD2-CE2 4.19Å; F212-Y284 AromaticContact CD2-CZ 3.75Å; F212-Y284 WeakPolarHBondContact CD2-OH 3.48Å; F212-P299 HydrophobicContact CD2-CB 4.29Å; F212-P299 HydrophobicContact CE2-CB 4.4Å; F212-V300 HydrophobicContact CE1-CB 4.44Å; F212-V300 WeakPolarHBondContact CE2-O 3.46Å; F212-V300 HydrophobicContact CZ-CB 4.31Å; F212-V300 WeakPolarHBondContact CZ-O 3.44Å
213K93.6Very high91.6Very high38 Ų3843.9 Ų43.917%0.16523%0.228CC..  trans-82.1138.6-176.8-63.8-175.5173.2-168.40110.9D180 E184 S215 W216D180-K213 WeakPolarHBondContact OD1-CB 3.14Å; E184-K213 VanDerWaalsContact OE1-CE 3.24Å; E184-K213 WeakPolarHBondContact OE1-CE 3.32Å; E184-K213 IonicContact OE1-NZ 2.74Å; E184-K213 PolarHBondContact OE1-NZ 3.39Å; K213-S215 PolarHBondContact O-N 3.02Å; K213-W216 HydrophobicContact CB-CD2 3.88Å; K213-W216 HydrophobicContact CB-CE3 4.46Å; K213-W216 HydrophobicContact CB-CG 4.08Å; K213-W216 HydrophobicContact CB-CZ2 4.26Å; K213-W216 HydrophobicContact CD-CZ2 4.08Å; K213-W216 HydrophobicContact CG-CZ2 4.02Å; K213-W216 WeakPolarHBondContact O-CB 3.32Å; K213-W216 PolarHBondContact O-N 3.18Å
214R94.5Very high92Very high7 Ų746.6 Ų46.63%0.02624%0.24CC..G310 helixtrans-64.2-32.3175.7177174.5177171.82.6111.4E172 Y178 N179 D180 W216 L217 S221E172-R214 IonicContact OE1-CZ 3.54Å; E172-R214 IonicContact OE1-NH1 3.49Å; E172-R214 PolarHBondContact OE1-NH1 2.93Å; E172-R214 IonicContact OE1-NH2 3.09Å; E172-R214 IonicContact OE2-CZ 2.77Å; E172-R214 IonicContact OE2-NH1 3.91Å; E172-R214 PolarHBondContact OE2-NH1 3.39Å; E172-R214 IonicContact OE2-NH2 2.77Å; E172-R214 PolarHBondContact OE2-NH2 2.87Å; Y178-R214 WeakPolarHBondContact O-CB 3.45Å; Y178-R214 PolarHBondContact O-N 3.32Å; N179-R214 WeakPolarHBondContact OD1-CD 3.42Å; N179-R214 PolarHBondContact OD1-NH1 3.45Å; N179-R214 VanDerWaalsContact OD1-NH1 3.16Å; D180-R214 PolarHBondContact OD1-N 3.23Å; R214-W216 PolarHBondContact O-N 2.88Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.4Å; R214-L217 VanDerWaalsContact O-N 3.11Å; R214-S221 PolarHBondContact NE-O 3.33Å; R214-S221 PolarHBondContact NH2-O 3.45Å; R214-S221 WeakPolarHBondContact O-CB 3.26Å
215S94.4Very high92.5Very high49 Ų4944.9 Ų44.934%0.34323%0.226SC..G310 helixtrans-57.9-26.4174.750.50000113.9D180 K213 L217 G218D180-S215 PolarHBondContact OD1-N 2.98Å; D180-S215 WeakPolarHBondContact OD2-CB 3.24Å; D180-S215 PolarHBondContact OD2-OG 3.45Å; K213-S215 PolarHBondContact O-N 3.02Å; S215-L217 PolarHBondContact O-N 3.03Å; S215-G218 PolarHBondContact O-N 2.98Å; S215-G218 VanDerWaalsContact O-N 3.14Å
216W94.3Very high92.5Very high99 Ų9947.2 Ų47.238%0.37524%0.238SC..G310 helixtrans-69.2-17.4178-61-15.3000113.8Q211 F212 K213 R214 G218 P276 Y284Q211-W216 WeakPolarHBondContact O-CZ3 3.43Å; F212-W216 HydrophobicContact CD2-CE3 4.14Å; F212-W216 HydrophobicContact CD2-CZ3 4.33Å; F212-W216 HydrophobicContact CE2-CE3 4.35Å; F212-W216 HydrophobicContact CG-CE3 4.38Å; K213-W216 HydrophobicContact CB-CD2 3.88Å; K213-W216 HydrophobicContact CB-CE3 4.46Å; K213-W216 HydrophobicContact CB-CG 4.08Å; K213-W216 HydrophobicContact CB-CZ2 4.26Å; K213-W216 HydrophobicContact CD-CZ2 4.08Å; K213-W216 HydrophobicContact CG-CZ2 4.02Å; K213-W216 WeakPolarHBondContact O-CB 3.32Å; K213-W216 PolarHBondContact O-N 3.18Å; R214-W216 PolarHBondContact O-N 2.88Å; W216-G218 PolarHBondContact O-N 3.43Å; W216-P276 HydrophobicContact CB-CB 4.26Å; W216-P276 HydrophobicContact CB-CG 4.26Å; W216-P276 WeakPolarHBondContact O-CA 3.48Å; W216-P276 WeakPolarHBondContact O-CB 3.47Å; W216-Y284 VanDerWaalsContact CZ3-OH 3.3Å; W216-Y284 WeakPolarHBondContact CZ3-OH 3.3Å
217L94.5Very high92.6Very high0 Ų043.1 Ų43.10%022%0.219CC..G310 helixtrans-761174-60.6171.6000112.7L175 F212 R214 S215 E219 C220 L238 F275 A302L175-L217 HydrophobicContact CD1-CD1 4.22Å; L175-L217 HydrophobicContact CD2-CD1 3.45Å; L175-L217 VanDerWaalsContact CD2-CD1 3.45Å; F212-L217 HydrophobicContact CE1-CD1 4.4Å; F212-L217 HydrophobicContact CE1-CD2 4.13Å; F212-L217 HydrophobicContact CE1-CG 4.13Å; F212-L217 HydrophobicContact CZ-CD2 3.93Å; F212-L217 HydrophobicContact CZ-CG 4.37Å; R214-L217 WeakPolarHBondContact O-CB 3.26Å; R214-L217 PolarHBondContact O-N 3.4Å; R214-L217 VanDerWaalsContact O-N 3.11Å; S215-L217 PolarHBondContact O-N 3.03Å; L217-E219 PolarHBondContact O-N 3.33Å; L217-C220 PolarHBondContact O-N 3.14Å; L217-L238 HydrophobicContact CD1-CD2 4.31Å; L217-F275 WeakPolarHBondContact O-CB 3.26Å; L217-A302 HydrophobicContact CD2-CB 4.02Å
218G92.5Very high92.7Very high22 Ų2242.3 Ų42.323%0.22722%0.216CC..G310 helixtrans58.5-126.4174.400000111.8S215 W216 C220 S221S215-G218 PolarHBondContact O-N 2.98Å; S215-G218 VanDerWaalsContact O-N 3.14Å; W216-G218 PolarHBondContact O-N 3.43Å; G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.95Å; G218-S221 WeakPolarHBondContact O-CB 3.23Å; G218-S221 PolarHBondContact O-N 3.17Å; G218-S221 VanDerWaalsContact O-N 3.14Å; G218-S221 PolarHBondContact O-OG 3.4Å
219E92Very high92.7Very high81 Ų8136.6 Ų36.638%0.37919%0.192SC..G310 helixtrans-67.5-26.3-179.8-61.2175.7135.800112.7L217 S221 R304L217-E219 PolarHBondContact O-N 3.33Å; E219-S221 PolarHBondContact O-N 3.05Å; E219-R304 IonicContact OE1-NH1 2.59Å; E219-R304 PolarHBondContact OE1-NH1 3.47Å; E219-R304 IonicContact OE2-CZ 3.82Å; E219-R304 IonicContact OE2-NH1 3.74Å; E219-R304 PolarHBondContact OE2-NH1 2.97Å
220C93.9Very high92.7Very high0 Ų036.5 Ų36.50%019%0.191CC..G310 helixtrans-835.2175.8-63.30000113.2L217 G218 G222 F228 C236 A302L217-C220 PolarHBondContact O-N 3.14Å; G218-C220 VanDerWaalsContact C-N 3.26Å; G218-C220 PolarHBondContact O-N 2.95Å; C220-G222 VanDerWaalsContact C-N 3.32Å; C220-F228 WeakPolarHBondContact O-CD1 3.41Å; C220-F228 WeakPolarHBondContact O-CE1 3.26Å; C220-C236 WeakPolarHBondContact CA-SG 3.48Å; C220-C236 HydrophobicContact CB-CB 3.59Å; C220-C236 WeakPolarHBondContact CB-SG 3.2Å; C220-C236 WeakPolarHBondContact SG-CB 3.33Å; C220-C236 CovalentContact SG-SG 2.04Å; C220-C236 PolarHBondContact SG-SG 2.95Å; C220-A302 HydrophobicContact CB-CB 3.55Å
221S93.8Very high92.6Very high3 Ų338.3 Ų38.32%0.02120%0.204CC..G310 helixtrans-71.7-24178.764.50000113R214 G218 E219 L223R214-S221 PolarHBondContact NE-O 3.33Å; R214-S221 PolarHBondContact NH2-O 3.45Å; R214-S221 WeakPolarHBondContact O-CB 3.26Å; G218-S221 WeakPolarHBondContact O-CB 3.23Å; G218-S221 PolarHBondContact O-N 3.17Å; G218-S221 VanDerWaalsContact O-N 3.14Å; G218-S221 PolarHBondContact O-OG 3.4Å; E219-S221 PolarHBondContact O-N 3.05Å; S221-L223 PolarHBondContact O-N 3.37Å; S221-L223 PolarHBondContact OG-N 3.49Å
222G90.7Very high92.4Very high10 Ų1042.2 Ų42.210%0.10322%0.222CC..SBendtrans81.2-1.8-171.500000114.6C220 D225 F228C220-G222 VanDerWaalsContact C-N 3.32Å; G222-D225 VanDerWaalsContact CA-O 3.27Å; G222-D225 WeakPolarHBondContact CA-O 3.47Å; G222-F228 VanDerWaalsContact CA-CE1 3.49Å
223L90.1Very high92.2Very high106 Ų10642 Ų4256%0.55522%0.222SC*.SBendtrans-80.1-39.6178.6-64.1174.6000112.1S221S221-L223 PolarHBondContact O-N 3.37Å; S221-L223 PolarHBondContact OG-N 3.49Å
224Q88.9Confident92.1Very high151 Ų15143.8 Ų43.871%0.70623%0.23SC*.SBendtrans-87.8-48.1176.4-62.5178.917.200111
225D90.1Very high92.1Very high30 Ų3043.5 Ų43.516%0.1623%0.229CC..  trans-118.2105.9176.8177.526.8000111G222 H227 F228 G229G222-D225 VanDerWaalsContact CA-O 3.27Å; G222-D225 WeakPolarHBondContact CA-O 3.47Å; D225-H227 PolarHBondContact O-N 3.08Å; D225-H227 VanDerWaalsContact O-N 3.08Å; D225-H227 WeakPolarHBondContact OD1-CB 3.27Å; D225-H227 IonicContact OD1-CE1 3.51Å; D225-H227 IonicContact OD1-CG 3.79Å; D225-H227 PolarHBondContact OD1-N 3.48Å; D225-H227 IonicContact OD1-ND1 3.46Å; D225-H227 PolarHBondContact OD1-ND1 2.87Å; D225-F228 PolarHBondContact O-N 3.5Å; D225-F228 PolarHBondContact OD2-N 3.37Å; D225-G229 WeakPolarHBondContact OD2-CA 3.07Å; D225-G229 PolarHBondContact OD2-N 3.5Å
226P90.8Very high92.1Very high78 Ų7841.2 Ų41.251%0.50621%0.213SC..THydrogen-bonded Turntrans-68.3-8.3179.529.7-35.1000113.1F228P226-F228 WeakPolarHBondContact O-CD2 3.27Å
227H92.1Very high92.1Very high60 Ų6036.5 Ų36.528%0.27820%0.195SC..THydrogen-bonded Turntrans-95.92.1179.2-37.6103.6000113.1W164 D225 G229 F230W164-H227 HydrophobicContact CE3-CB 4.45Å; W164-H227 HydrophobicContact CH2-CB 4.12Å; W164-H227 AromaticContact CH2-CD2 3.27Å; W164-H227 WeakPolarHBondContact CH2-CD2 3.44Å; W164-H227 AromaticContact CH2-CG 3.83Å; W164-H227 HydrophobicContact CZ3-CB 3.88Å; W164-H227 AromaticContact CZ3-CD2 3.46Å; W164-H227 VanDerWaalsContact CZ3-CD2 3.46Å; W164-H227 WeakPolarHBondContact CZ3-CD2 3.34Å; W164-H227 AromaticContact CZ3-CG 3.96Å; D225-H227 PolarHBondContact O-N 3.08Å; D225-H227 VanDerWaalsContact O-N 3.08Å; D225-H227 WeakPolarHBondContact OD1-CB 3.27Å; D225-H227 IonicContact OD1-CE1 3.51Å; D225-H227 IonicContact OD1-CG 3.79Å; D225-H227 PolarHBondContact OD1-N 3.48Å; D225-H227 IonicContact OD1-ND1 3.46Å; D225-H227 PolarHBondContact OD1-ND1 2.87Å; H227-G229 PolarHBondContact O-N 2.65Å; H227-G229 VanDerWaalsContact O-N 3.08Å; H227-F230 WeakPolarHBondContact O-CB 3.42Å; H227-F230 VanDerWaalsContact O-CD2 3.23Å; H227-F230 WeakPolarHBondContact O-CD2 3.2Å; H227-F230 PolarHBondContact O-N 3.37Å
228F93.4Very high92.2Very high0 Ų036.5 Ų36.50%020%0.195CC..THydrogen-bonded Turntrans5134.4176.4-59.9-86.6000114.1A168 M171 E172 L175 C220 G222 D225 P226 F230 C236A168-F228 HydrophobicContact CB-CD2 4.15Å; A168-F228 WeakPolarHBondContact O-CE2 3.47Å; M171-F228 HydrophobicContact CB-CD1 4.28Å; M171-F228 HydrophobicContact CB-CD2 3.85Å; M171-F228 HydrophobicContact CB-CE1 4.19Å; M171-F228 HydrophobicContact CB-CE2 3.74Å; M171-F228 HydrophobicContact CB-CG 4.12Å; M171-F228 HydrophobicContact CB-CZ 3.91Å; M171-F228 HydrophobicContact CE-CB 4.26Å; M171-F228 HydrophobicContact CE-CD1 3.77Å; M171-F228 HydrophobicContact CE-CE1 4.35Å; M171-F228 HydrophobicContact CE-CG 4.09Å; E172-F228 HydrophobicContact CB-CE2 4.33Å; E172-F228 HydrophobicContact CB-CZ 4.5Å; L175-F228 HydrophobicContact CD1-CE1 3.51Å; L175-F228 HydrophobicContact CD1-CZ 3.99Å; C220-F228 WeakPolarHBondContact O-CD1 3.41Å; C220-F228 WeakPolarHBondContact O-CE1 3.26Å; G222-F228 VanDerWaalsContact CA-CE1 3.49Å; D225-F228 PolarHBondContact O-N 3.5Å; D225-F228 PolarHBondContact OD2-N 3.37Å; P226-F228 WeakPolarHBondContact O-CD2 3.27Å; F228-F230 HydrophobicContact CB-CD2 4Å; F228-F230 HydrophobicContact CB-CE2 4.08Å; F228-F230 PolarHBondContact O-N 3.37Å; F228-C236 HydrophobicContact CB-CB 4.36Å; F228-C236 WeakPolarHBondContact O-CB 3.45Å; F228-C236 PolarHBondContact O-N 3.42Å
229G92.2Very high92.4Very high2 Ų235.4 Ų35.42%0.02118%0.184CC..THydrogen-bonded Turntrans75.2-2.4-179.800000116.1D225 H227 S231 Q232 K234D225-G229 WeakPolarHBondContact OD2-CA 3.07Å; D225-G229 PolarHBondContact OD2-N 3.5Å; H227-G229 PolarHBondContact O-N 2.65Å; H227-G229 VanDerWaalsContact O-N 3.08Å; G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.24Å; G229-Q232 PolarHBondContact O-N 3.46Å; G229-K234 CarbonylContact C-O 3.58Å; G229-K234 VanDerWaalsContact CA-O 3.27Å; G229-K234 WeakPolarHBondContact CA-O 3.44Å; G229-K234 CarbonylContact O-C 3.53Å; G229-K234 VanDerWaalsContact O-C 3.26Å; G229-K234 PolarHBondContact O-N 3.01Å
230F92.5Very high92.5Very high0 Ų034.4 Ų34.40%018%0.177CC..G310 helixtrans-63.2-35.8-179.9-74.5-79.2000113P146 I154 F156 W164 Y167 H227 F228 Q232 G233 P235P146-F230 HydrophobicContact CG-CZ 3.98Å; I154-F230 HydrophobicContact CG2-CE1 4.22Å; F156-F230 AromaticContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CD1 3.86Å; F156-F230 HydrophobicContact CD1-CE1 4.07Å; F156-F230 HydrophobicContact CD2-CD1 4.14Å; F156-F230 AromaticContact CE1-CD1 3.64Å; F156-F230 HydrophobicContact CE1-CD1 3.64Å; F156-F230 AromaticContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE1-CE1 3.86Å; F156-F230 HydrophobicContact CE2-CB 4.37Å; F156-F230 AromaticContact CE2-CD1 3.94Å; F156-F230 HydrophobicContact CE2-CD1 3.94Å; F156-F230 WeakPolarHBondContact CE2-O 3.16Å; F156-F230 HydrophobicContact CG-CD1 4.11Å; F156-F230 AromaticContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CD1 3.69Å; F156-F230 HydrophobicContact CZ-CE1 4.32Å; W164-F230 HydrophobicContact CB-CB 3.64Å; W164-F230 HydrophobicContact CB-CD1 4.19Å; W164-F230 HydrophobicContact CB-CG 4.05Å; W164-F230 HydrophobicContact CD2-CB 4.15Å; W164-F230 HydrophobicContact CE3-CB 4.36Å; W164-F230 HydrophobicContact CG-CB 3.85Å; Y167-F230 HydrophobicContact CD2-CE1 4.28Å; Y167-F230 HydrophobicContact CG-CE1 4.29Å; Y167-F230 HydrophobicContact CG-CZ 4.34Å; H227-F230 WeakPolarHBondContact O-CB 3.42Å; H227-F230 VanDerWaalsContact O-CD2 3.23Å; H227-F230 WeakPolarHBondContact O-CD2 3.2Å; H227-F230 PolarHBondContact O-N 3.37Å; F228-F230 HydrophobicContact CB-CD2 4Å; F228-F230 HydrophobicContact CB-CE2 4.08Å; F228-F230 PolarHBondContact O-N 3.37Å; F230-Q232 PolarHBondContact O-N 3.04Å; F230-G233 PolarHBondContact O-N 3.33Å; F230-P235 HydrophobicContact CD1-CB 3.79Å; F230-P235 HydrophobicContact CE1-CB 3.58Å; F230-P235 HydrophobicContact CG-CB 4.46Å; F230-P235 HydrophobicContact CZ-CB 4.09Å
231S90.8Very high92.5Very high44 Ų4434.5 Ų34.531%0.30818%0.177SC..G310 helixtrans-66.7-21.7178.257.10000113.8G229G229-S231 VanDerWaalsContact C-N 3.32Å; G229-S231 PolarHBondContact O-N 3.24Å
232Q90.6Very high92.5Very high100 Ų10037.4 Ų37.447%0.46719%0.192SC..G310 helixtrans-99.44.4-179.3-60.5177.22.300112.5G229 F230 K234 Y310G229-Q232 PolarHBondContact O-N 3.46Å; F230-Q232 PolarHBondContact O-N 3.04Å; Q232-K234 PolarHBondContact O-N 3.38Å; Q232-Y310 PolarHBondContact O-OH 3.5Å
233G89.9Confident92.6Very high2 Ų242.2 Ų42.22%0.02121%0.207CC..THydrogen-bonded Turntrans67.915.2-170.800000113.9F230 P235F230-G233 PolarHBondContact O-N 3.33Å; G233-P235 VanDerWaalsContact C-CD 3.45Å; G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.44Å
234K92.3Very high92.8Very high76 Ų7637.8 Ų37.833%0.3318%0.184SC..  trans-117.368.6-178-63.9-179.7-177.4-178.30110.7G229 Q232 F305 N306G229-K234 CarbonylContact C-O 3.58Å; G229-K234 VanDerWaalsContact CA-O 3.27Å; G229-K234 WeakPolarHBondContact CA-O 3.44Å; G229-K234 CarbonylContact O-C 3.53Å; G229-K234 VanDerWaalsContact O-C 3.26Å; G229-K234 PolarHBondContact O-N 3.01Å; Q232-K234 PolarHBondContact O-N 3.38Å; K234-F305 VanDerWaalsContact CA-O 3.23Å; K234-F305 WeakPolarHBondContact CA-O 2.91Å; K234-F305 WeakPolarHBondContact CB-O 3.48Å; K234-N306 VanDerWaalsContact CE-O 3.3Å; K234-N306 WeakPolarHBondContact CE-O 3.47Å
235P93.9Very high92.9Very high0 Ų032.5 Ų32.50%016%0.161CC..  trans-66.3143.3-169.829.2-35.2000111.6F156 F230 G233 F305 L308 F342F156-P235 HydrophobicContact CE1-CB 4.02Å; F156-P235 HydrophobicContact CE1-CG 4.02Å; F156-P235 HydrophobicContact CZ-CB 3.93Å; F156-P235 HydrophobicContact CZ-CG 3.9Å; F230-P235 HydrophobicContact CD1-CB 3.79Å; F230-P235 HydrophobicContact CE1-CB 3.58Å; F230-P235 HydrophobicContact CG-CB 4.46Å; F230-P235 HydrophobicContact CZ-CB 4.09Å; G233-P235 VanDerWaalsContact C-CD 3.45Å; G233-P235 VanDerWaalsContact O-CD 3.24Å; G233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-F305 HydrophobicContact CG-CB 4.45Å; P235-F305 WeakPolarHBondContact O-CD2 3.48Å; P235-F305 PolarHBondContact O-N 3.33Å; P235-L308 HydrophobicContact CG-CD2 4.27Å; P235-F342 HydrophobicContact CB-CE1 4.44Å; P235-F342 HydrophobicContact CG-CD1 4.46Å; P235-F342 HydrophobicContact CG-CE1 3.76Å; P235-F342 HydrophobicContact CG-CZ 4.2Å
236C94.9Very high93Very high1 Ų133.2 Ų33.21%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-96.3128.2168.3-73.20000110.5M171 C220 F228 V303M171-C236 HydrophobicContact CE-CB 4.31Å; M171-C236 VanDerWaalsContact CE-O 3.26Å; M171-C236 WeakPolarHBondContact CE-O 3.36Å; C220-C236 WeakPolarHBondContact CA-SG 3.48Å; C220-C236 HydrophobicContact CB-CB 3.59Å; C220-C236 WeakPolarHBondContact CB-SG 3.2Å; C220-C236 WeakPolarHBondContact SG-CB 3.33Å; C220-C236 CovalentContact SG-SG 2.04Å; C220-C236 PolarHBondContact SG-SG 2.95Å; F228-C236 HydrophobicContact CB-CB 4.36Å; F228-C236 WeakPolarHBondContact O-CB 3.45Å; F228-C236 PolarHBondContact O-N 3.42Å; C236-V303 WeakPolarHBondContact CA-O 3.43Å
237I95.3Very high93Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-114.2130.5175.9-53.8-56.1000109.4M144 S145 I154 L239 A302 V303 F305 F340 F342M144-I237 HydrophobicContact CB-CG2 4.07Å; M144-I237 HydrophobicContact SD-CG2 4.38Å; S145-I237 WeakPolarHBondContact O-CG2 3.24Å; I154-I237 HydrophobicContact CD1-CD1 3.3Å; I154-I237 HydrophobicContact CD1-CG1 4.29Å; I237-L239 HydrophobicContact CG2-CD2 4.12Å; I237-A302 CarbonylContact O-C 3.4Å; I237-A302 WeakPolarHBondContact O-CA 3.4Å; I237-V303 PolarHBondContact N-O 3.42Å; I237-V303 PolarHBondContact O-N 3.48Å; I237-F305 HydrophobicContact CB-CE2 4.03Å; I237-F305 HydrophobicContact CG1-CD2 4.1Å; I237-F305 HydrophobicContact CG1-CE2 3.57Å; I237-F340 HydrophobicContact CG1-CE2 4.22Å; I237-F340 HydrophobicContact CG1-CZ 4.48Å; I237-F340 HydrophobicContact CG2-CZ 4.18Å; I237-F342 HydrophobicContact CD1-CE1 4.18Å; I237-F342 HydrophobicContact CD1-CZ 4.17Å; I237-F342 HydrophobicContact CG1-CE1 4.35Å; I237-F342 HydrophobicContact CG1-CZ 3.83Å
238L95.8Very high93Very high0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-90.3130.4175.6-58.2178.8000109.8M144 S145 M171 L175 L217 V300 A302M144-L238 CarbonylContact C-O 3.34Å; M144-L238 VanDerWaalsContact CA-O 3.24Å; M144-L238 WeakPolarHBondContact CA-O 3.28Å; S145-L238 PolarHBondContact N-O 3.17Å; S145-L238 PolarHBondContact O-N 3.36Å; M171-L238 HydrophobicContact CE-CD1 3.92Å; M171-L238 HydrophobicContact CE-CD2 4.1Å; M171-L238 HydrophobicContact CE-CG 3.6Å; M171-L238 HydrophobicContact SD-CD1 3.71Å; M171-L238 HydrophobicContact SD-CG 3.7Å; L175-L238 HydrophobicContact CD1-CD1 4.19Å; L175-L238 HydrophobicContact CD2-CD1 3.76Å; L175-L238 HydrophobicContact CG-CD1 3.89Å; L217-L238 HydrophobicContact CD1-CD2 4.31Å; L238-V300 HydrophobicContact CB-CG1 3.74Å; L238-V300 HydrophobicContact CD1-CG1 4.42Å; L238-V300 HydrophobicContact CD2-CG1 3.92Å; L238-V300 HydrophobicContact CG-CG1 4.21Å; L238-A302 HydrophobicContact CD2-CB 3.69Å
239L95.8Very high92.8Very high0 Ų031.5 Ų31.50%016%0.161CC..EExtended strand (participates in β ladder)trans-113.4131178.6-62-177.9000109.3M142 M144 I237 V257 V301 V303 C318 V338M142-L239 HydrophobicContact CE-CB 3.54Å; M142-L239 HydrophobicContact CE-CD1 3.54Å; M142-L239 HydrophobicContact CE-CD2 3.97Å; M142-L239 HydrophobicContact CE-CG 3.86Å; M144-L239 HydrophobicContact CB-CD2 3.78Å; I237-L239 HydrophobicContact CG2-CD2 4.12Å; L239-V257 HydrophobicContact CD1-CG1 3.74Å; L239-V301 WeakPolarHBondContact CB-O 3.38Å; L239-V301 PolarHBondContact N-O 2.87Å; L239-V301 PolarHBondContact O-N 3.31Å; L239-V303 HydrophobicContact CD1-CB 4.49Å; L239-V303 HydrophobicContact CD1-CG2 3.33Å; L239-V303 HydrophobicContact CG-CG2 4.02Å; L239-C318 HydrophobicContact CD1-CB 3.99Å; L239-C318 HydrophobicContact CD2-CB 4.48Å; L239-V338 HydrophobicContact CD2-CG1 4.12Å
240R94.6Very high92.4Very high60 Ų6031.4 Ų31.423%0.22616%0.16CC..EExtended strand (participates in β ladder)trans-134.7135.9-177-178.3-179.8177.5164.18.1110.5T143 A298T143-R240 PolarHBondContact N-O 3.2Å; T143-R240 PolarHBondContact O-N 3.36Å; T143-R240 PolarHBondContact OG1-O 3.02Å; R240-A298 HydrophobicContact CG-CB 4.39Å; R240-A298 VanDerWaalsContact NE-CB 3.35Å
241M93.8Very high92.1Very high1 Ų138.7 Ų38.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-82.4139.5170-173.2162.858.500110.6P140 R243 P249 F280 Y285 L320P140-M241 HydrophobicContact CB-CG 3.86Å; P140-M241 HydrophobicContact CB-SD 4.05Å; P140-M241 HydrophobicContact CG-CG 4.29Å; P140-M241 HydrophobicContact CG-SD 3.8Å; M241-R243 PolarHBondContact O-N 3.04Å; M241-P249 HydrophobicContact CE-CB 4.01Å; M241-P249 HydrophobicContact CE-CG 4.15Å; M241-F280 HydrophobicContact CB-CE2 4.41Å; M241-F280 HydrophobicContact CB-CZ 4.38Å; M241-Y285 HydrophobicContact CE-CE1 3.6Å; M241-Y285 HydrophobicContact CE-CE2 3.91Å; M241-Y285 WeakPolarHBondContact CE-OH 3.39Å; M241-L320 HydrophobicContact CB-CD1 4.48Å; M241-L320 HydrophobicContact CG-CD1 4.03Å; M241-L320 HydrophobicContact SD-CD1 3.87Å
242N93.9Very high91.8Very high64 Ų6438.5 Ų38.534%0.34220%0.199SC..PPolyproline II helixtrans-65.4128.3176.2-73.1-5.5000110.2G141 T143 I244G141-N242 WeakPolarHBondContact O-CB 3.11Å; G141-N242 PolarHBondContact O-N 3.26Å; T143-N242 VanDerWaalsContact CG2-OD1 3.32Å; T143-N242 WeakPolarHBondContact CG2-OD1 3.47Å; N242-I244 PolarHBondContact O-N 3.14Å
243R93.3Very high91.8Very high111 Ų11136.8 Ų36.842%0.41920%0.196SC..PPolyproline II helixtrans-74126.117862.6-176.2178-178.7-3.7109.7M241 F287 Y296M241-R243 PolarHBondContact O-N 3.04Å; R243-F287 HydrophobicContact CB-CD1 4.05Å; R243-F287 HydrophobicContact CB-CE1 4.45Å; R243-F287 HydrophobicContact CB-CG 4.24Å; R243-F287 HydrophobicContact CG-CD1 4.2Å; R243-F287 HydrophobicContact CG-CE1 4.11Å; R243-Y296 HydrophobicContact CB-CE1 4.36Å
244I93Very high91.9Very high14 Ų1439 Ų397%0.07221%0.209CC..  trans-121.1136.4174.7-60.3169.9000107.5V137 M138 P140 N242 G246 Y247V137-I244 HydrophobicContact CG2-CG2 3.95Å; V137-I244 WeakPolarHBondContact O-CD1 3.31Å; M138-I244 HydrophobicContact CG-CD1 4.43Å; P140-I244 HydrophobicContact CB-CD1 3.78Å; N242-I244 PolarHBondContact O-N 3.14Å; I244-G246 PolarHBondContact O-N 3.32Å; I244-Y247 HydrophobicContact CB-CG 4.22Å; I244-Y247 HydrophobicContact CD1-CG 4.45Å; I244-Y247 PolarHBondContact O-N 2.98Å
245L92.8Very high91.9Very high40 Ų4035.3 Ų35.321%0.20919%0.194CC..BIsolated β-bridgetrans-65128.7-178.5-168146.5000110.4Y129 H130 Y247 F287Y129-L245 VanDerWaalsContact O-CD1 3.26Å; Y129-L245 WeakPolarHBondContact O-CD1 3.17Å; H130-L245 HydrophobicContact CB-CD2 4.13Å; L245-Y247 PolarHBondContact O-N 3.3Å; L245-Y247 VanDerWaalsContact O-N 3.17Å; L245-F287 CarbonylContact C-O 3.56Å; L245-F287 VanDerWaalsContact CA-O 3.26Å; L245-F287 WeakPolarHBondContact CA-O 3.12Å
246G90.4Very high91.9Very high45 Ų4538.2 Ų38.246%0.46421%0.209SC..THydrogen-bonded Turntrans70.13.5178.900000115.4I244 F287I244-G246 PolarHBondContact O-N 3.32Å; G246-F287 PolarHBondContact N-O 3.43Å
247Y91.7Very high92Very high29 Ų2938.3 Ų38.311%0.11421%0.21CC..  trans-76.2132-175.4-180-104.7000112.4M138 P140 I244 L245 P249M138-Y247 HydrophobicContact SD-CD2 4.44Å; P140-Y247 HydrophobicContact CB-CE1 4.35Å; P140-Y247 VanDerWaalsContact CD-CZ 3.4Å; P140-Y247 VanDerWaalsContact CD-OH 3.26Å; P140-Y247 WeakPolarHBondContact CD-OH 3.05Å; P140-Y247 HydrophobicContact CG-CD1 4.42Å; P140-Y247 HydrophobicContact CG-CE1 3.57Å; I244-Y247 HydrophobicContact CB-CG 4.22Å; I244-Y247 HydrophobicContact CD1-CG 4.45Å; I244-Y247 PolarHBondContact O-N 2.98Å; L245-Y247 PolarHBondContact O-N 3.3Å; L245-Y247 VanDerWaalsContact O-N 3.17Å; Y247-P249 HydrophobicContact CD1-CB 4.44Å; Y247-P249 HydrophobicContact CE1-CB 3.79Å; Y247-P249 HydrophobicContact CE1-CG 4.5Å; Y247-P249 WeakPolarHBondContact O-CD 3.01Å
248L91.9Very high91.9Very high71 Ų7140.7 Ų40.737%0.37222%0.224SC..  trans-112.998.7179.5-63.7176.8000110.2Y195 M197 P286Y195-L248 HydrophobicContact CD1-CD2 3.71Å; Y195-L248 HydrophobicContact CD2-CD2 4.31Å; Y195-L248 HydrophobicContact CE1-CB 4.15Å; Y195-L248 HydrophobicContact CE1-CD2 3.88Å; Y195-L248 HydrophobicContact CE2-CD2 4.46Å; Y195-L248 HydrophobicContact CG-CD2 3.91Å; M197-L248 HydrophobicContact SD-CD2 4.19Å; L248-P286 HydrophobicContact CD2-CB 3.84Å; L248-P286 HydrophobicContact CD2-CG 4.06Å
249P90.4Very high91.8Very high1 Ų141.7 Ų41.71%0.00623%0.231CC..G310 helixtrans-68.1136.6-176.124.1-32.3000113.1Y195 M241 Y247 Q251 V255 L282 Y285Y195-P249 PolarHBondContact OH-O 2.89Å; M241-P249 HydrophobicContact CE-CB 4.01Å; M241-P249 HydrophobicContact CE-CG 4.15Å; Y247-P249 HydrophobicContact CD1-CB 4.44Å; Y247-P249 HydrophobicContact CE1-CB 3.79Å; Y247-P249 HydrophobicContact CE1-CG 4.5Å; Y247-P249 WeakPolarHBondContact O-CD 3.01Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Q251 VanDerWaalsContact O-N 3.14Å; P249-V255 HydrophobicContact CB-CG2 3.64Å; P249-L282 HydrophobicContact CG-CD2 4.34Å; P249-Y285 HydrophobicContact CG-CD1 3.96Å; P249-Y285 HydrophobicContact CG-CD2 3.48Å; P249-Y285 VanDerWaalsContact CG-CD2 3.48Å; P249-Y285 HydrophobicContact CG-CE1 4.31Å; P249-Y285 HydrophobicContact CG-CE2 3.86Å; P249-Y285 HydrophobicContact CG-CG 3.55Å
250G83.8Confident91.7Very high0 Ų043 Ų430%025%0.245CC..G310 helixtrans7010.1165.600000115.9G252 T253 K323G250-G252 VanDerWaalsContact C-N 3.26Å; G250-G252 PolarHBondContact O-N 3.48Å; G250-T253 WeakPolarHBondContact CA-O 3.28Å; G250-T253 PolarHBondContact O-N 3.47Å; G250-T253 PolarHBondContact O-OG1 3.28Å; G250-K323 WeakPolarHBondContact CA-O 3.46Å
251Q85.6Confident91.6Very high153 Ų15342.2 Ų42.272%0.71525%0.246SC*.G310 helixtrans49.243.4176.8-64.3-178.9-18.600113.5Y195 P249Y195-Q251 PolarHBondContact OH-N 3.36Å; P249-Q251 PolarHBondContact O-N 2.95Å; P249-Q251 VanDerWaalsContact O-N 3.14Å
252G83.9Confident91.5Very high40 Ų4047.4 Ų47.441%0.41227%0.269SS..G310 helixtrans95.50.3178.600000114Y195 G250 L282Y195-G252 PolarHBondContact OH-N 3.25Å; G250-G252 VanDerWaalsContact C-N 3.26Å; G250-G252 PolarHBondContact O-N 3.48Å; G252-L282 WeakPolarHBondContact O-CD1 3.39Å
253T90.3Very high91.3Very high64 Ų6451.3 Ų51.339%0.39328%0.283SS..SBendtrans-107.6126.9168.954.90000110.3G250 V255G250-T253 WeakPolarHBondContact CA-O 3.28Å; G250-T253 PolarHBondContact O-N 3.47Å; G250-T253 PolarHBondContact O-OG1 3.28Å; T253-V255 PolarHBondContact O-N 2.88Å
254P91.6Very high91Very high48 Ų4848.3 Ų48.331%0.31229%0.286SS..PPolyproline II helixtrans-55.5132.7176.3-24.532.5000111.5N256 I279 L282P254-N256 PolarHBondContact O-N 3.46Å; P254-I279 HydrophobicContact CB-CB 4.34Å; P254-I279 HydrophobicContact CB-CD1 4.23Å; P254-L282 HydrophobicContact CB-CG 4.49Å; P254-L282 HydrophobicContact CG-CD1 4.23Å; P254-L282 HydrophobicContact CG-CG 4.09Å
255V93.4Very high90.6Very high0 Ų051.6 Ų51.60%031%0.307CS..EExtended strand (participates in β ladder)trans-73.2127.2178.3171.80000108.7P249 T253 I279 F280 L320 I325P249-V255 HydrophobicContact CB-CG2 3.64Å; T253-V255 PolarHBondContact O-N 2.88Å; V255-I279 CarbonylContact O-C 3.53Å; V255-I279 VanDerWaalsContact O-CA 3.31Å; V255-I279 WeakPolarHBondContact O-CA 3.5Å; V255-F280 HydrophobicContact CG1-CD2 4.44Å; V255-F280 PolarHBondContact O-N 2.95Å; V255-L320 HydrophobicContact CG1-CB 3.89Å; V255-L320 HydrophobicContact CG1-CD2 4.25Å; V255-I325 HydrophobicContact CB-CD1 4.17Å; V255-I325 HydrophobicContact CG1-CD1 3.41Å; V255-I325 VanDerWaalsContact CG1-CD1 3.41Å; V255-I325 HydrophobicContact CG2-CD1 3.6Å
256N94.6Very high90.2Very high61 Ų6154.4 Ų54.433%0.32633%0.328SS..EExtended strand (participates in β ladder)trans-94.2160.6177.273.915.8000111.4P254 S278 I279 L320 N321P254-N256 PolarHBondContact O-N 3.46Å; N256-S278 CarbonylContact C-O 3.26Å; N256-S278 VanDerWaalsContact CA-O 3.25Å; N256-S278 WeakPolarHBondContact CA-O 3.5Å; N256-I279 HydrophobicContact CB-CG2 4.07Å; N256-L320 CarbonylContact O-C 3.6Å; N256-L320 WeakPolarHBondContact O-CA 3.26Å; N256-N321 PolarHBondContact N-O 2.95Å; N256-N321 PolarHBondContact O-N 2.81Å; N256-N321 WeakPolarHBondContact OD1-CA 3.46Å; N256-N321 WeakPolarHBondContact OD1-CB 3.21Å; N256-N321 VanDerWaalsContact OD1-CG 3.29Å; N256-N321 PolarHBondContact OD1-N 3.19Å; N256-N321 PolarHBondContact OD1-ND2 2.98Å; N256-N321 PolarHBondContact OD1-O 2.85Å
257V95.3Very high89.8Confident2 Ų259.8 Ų59.81%0.01234%0.341CS..EExtended strand (participates in β ladder)trans-120.6129.2178.7-173.90000108.6M142 L239 F274 S278 F280 L320M142-V257 HydrophobicContact CE-CG1 3.68Å; L239-V257 HydrophobicContact CD1-CG1 3.74Å; V257-F274 HydrophobicContact CG1-CE1 4.31Å; V257-S278 PolarHBondContact N-O 2.84Å; V257-F280 HydrophobicContact CG2-CD2 3.83Å; V257-F280 HydrophobicContact CG2-CE2 3.31Å; V257-F280 HydrophobicContact CG2-CZ 4.13Å; V257-L320 HydrophobicContact CG2-CD2 3.88Å
258T94.3Very high89.4Confident50 Ų5058.5 Ų58.531%0.30734%0.336SS..EExtended strand (participates in β ladder)trans-129.5135.5174.4550000109.3C318 K319 N321T258-C318 CarbonylContact O-C 3.55Å; T258-C318 WeakPolarHBondContact O-CA 3.21Å; T258-K319 PolarHBondContact N-O 3.39Å; T258-K319 WeakPolarHBondContact O-CG 3.39Å; T258-K319 PolarHBondContact O-N 2.88Å; T258-K319 VanDerWaalsContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CG 3.19Å; T258-N321 WeakPolarHBondContact CG2-ND2 3.22Å; T258-N321 PolarHBondContact OG1-ND2 3.16Å
259C94.1Very high89.1Confident21 Ų2155.6 Ų55.614%0.14232%0.321CS..EExtended strand (participates in β ladder)trans-117.9142.7176.4-60.10000109.4L272 F274 V316 K317 C318C259-L272 HydrophobicContact CB-CD1 3.84Å; C259-F274 HydrophobicContact CB-CZ 4.48Å; C259-V316 HydrophobicContact CB-CG1 4.23Å; C259-K317 WeakPolarHBondContact CA-O 3.41Å; C259-C318 HydrophobicContact CB-CB 4.11Å; C259-C318 WeakPolarHBondContact CB-SG 3.35Å; C259-C318 WeakPolarHBondContact SG-CB 3.3Å; C259-C318 CovalentContact SG-SG 2.04Å; C259-C318 PolarHBondContact SG-SG 3.45Å
260G92.8Very high88.8Confident28 Ų2857.3 Ų57.329%0.28934%0.339SS..EExtended strand (participates in β ladder)trans-156167.2177.100000112K262 V316 K317G260-K262 PolarHBondContact O-N 3.31Å; G260-V316 WeakPolarHBondContact O-CA 3.45Å; G260-K317 PolarHBondContact N-O 2.89Å; G260-K317 PolarHBondContact O-N 3.32Å
261V93.8Very high89.1Confident43 Ų4363.9 Ų63.926%0.26137%0.369SS..EExtended strand (participates in β ladder)trans-72.7126.9178.4-176.50000109.9K263 L269V261-K263 WeakPolarHBondContact CG1-O 3.46Å; V261-L269 HydrophobicContact CG2-CB 3.6Å; V261-L269 HydrophobicContact CG2-CD1 4.47Å; V261-L269 HydrophobicContact CG2-CD2 3.68Å; V261-L269 HydrophobicContact CG2-CG 4.12Å
262K90.9Very high89.4Confident111 Ų11158.3 Ų58.348%0.48334%0.344SS..EExtended strand (participates in β ladder)trans-95.3-39.7172.6-174.2-177.1-176.1177.20111.7G260 V315 K317G260-K262 PolarHBondContact O-N 3.31Å; K262-V315 HydrophobicContact CB-CG1 4.44Å; K262-V315 PolarHBondContact N-O 3.35Å; K262-K317 HydrophobicContact CB-CB 3.96Å; K262-K317 HydrophobicContact CD-CB 4.25Å; K262-K317 HydrophobicContact CD-CD 4.36Å
263K89.8Confident89.9Confident145 Ų14559.2 Ų59.263%0.6334%0.338SS*.EExtended strand (participates in β ladder)trans-142136.9174.5-60.1-176175.6-175.20109.2V261 V315V261-K263 WeakPolarHBondContact CG1-O 3.46Å; K263-V315 HydrophobicContact CB-CB 3.98Å; K263-V315 HydrophobicContact CB-CG2 4.03Å; K263-V315 PolarHBondContact N-O 2.87Å; K263-V315 PolarHBondContact O-N 2.83Å
264G86.2Confident90.2Very high48 Ų4858.5 Ų58.550%0.49533%0.329SS..SBendtrans117.3-177.6-175.300000111.9
265V85.1Confident90.3Very high83 Ų8358.2 Ų58.250%0.50332%0.323SS..  trans-76.9128.1177.8-1740000108.8E267 S268V265-E267 HydrophobicContact CG1-CB 4.07Å; V265-E267 HydrophobicContact CG1-CG 4.48Å; V265-E267 PolarHBondContact O-N 2.94Å; V265-S268 PolarHBondContact O-N 3.46Å; V265-S268 PolarHBondContact O-OG 3.42Å
266P83.6Confident90.3Very high100 Ų10061.3 Ų61.365%0.64934%0.343SS*.G310 helixtrans-59.7-33.7179.5-26.735.5000113.9S268 L269P266-S268 PolarHBondContact O-N 3.24Å; P266-L269 PolarHBondContact O-N 2.9Å
267E84Confident90.2Very high158 Ų15865 Ų6574%0.73836%0.356SS*.G310 helixtrans-67.3-22.7-178.6-62.4173-179.500113.2V265 L269V265-E267 HydrophobicContact CG1-CB 4.07Å; V265-E267 HydrophobicContact CG1-CG 4.48Å; V265-E267 PolarHBondContact O-N 2.94Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.93Å
268S82.3Confident90.2Very high1 Ų167.1 Ų67.11%0.00737%0.372CS..G310 helixtrans-78.5-10.5-177.664.10000114.1V265 P266 L308 Q309 I314V265-S268 PolarHBondContact O-N 3.46Å; V265-S268 PolarHBondContact O-OG 3.42Å; P266-S268 PolarHBondContact O-N 3.24Å; S268-L308 WeakPolarHBondContact O-CA 3.49Å; S268-Q309 PolarHBondContact O-N 3.44Å; S268-I314 WeakPolarHBondContact OG-CG2 3.27Å
269L84.9Confident90.2Very high11 Ų1167.3 Ų67.36%0.05837%0.37CS..G310 helixtrans-79.2-31.8175.7-169.264000112.5V261 P266 E267 L272 F305 G307 L308 I314 V316V261-L269 HydrophobicContact CG2-CB 3.6Å; V261-L269 HydrophobicContact CG2-CD1 4.47Å; V261-L269 HydrophobicContact CG2-CD2 3.68Å; V261-L269 HydrophobicContact CG2-CG 4.12Å; P266-L269 PolarHBondContact O-N 2.9Å; E267-L269 VanDerWaalsContact C-N 3.29Å; E267-L269 PolarHBondContact O-N 2.93Å; L269-L272 HydrophobicContact CD1-CD2 4.39Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 HydrophobicContact CD2-CD2 4.34Å; L269-L272 HydrophobicContact CD2-CG 4.47Å; L269-L272 HydrophobicContact CG-CD2 4.08Å; L269-F305 HydrophobicContact CD1-CD1 3.63Å; L269-F305 HydrophobicContact CD1-CE1 3.7Å; L269-F305 HydrophobicContact CG-CD1 4.44Å; L269-G307 CarbonylContact C-O 3.59Å; L269-L308 HydrophobicContact CD1-CD1 4.48Å; L269-I314 HydrophobicContact CD1-CD1 3.69Å; L269-V316 HydrophobicContact CD1-CG1 4.46Å; L269-V316 HydrophobicContact CD1-CG2 3.45Å; L269-V316 VanDerWaalsContact CD1-CG2 3.45Å
270G85.1Confident90.1Very high37 Ų3766.4 Ų66.438%0.38136%0.364SS..  trans61.4-160.4-175.600000114.5G307G270-G307 WeakPolarHBondContact CA-O 3.41Å; G270-G307 PolarHBondContact N-O 3.48Å
271E88.7Confident90.2Very high137 Ų13766.3 Ų66.364%0.6436%0.356SS*.  trans-76.3134.9179.1-167.5-175.8167.700111.7N306E271-N306 PolarHBondContact O-N 2.82Å
272L93Very high90.1Very high37 Ų3764.3 Ų64.319%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-104.2135.3178.5-59.7177.6000110.6C259 L269 F274 V303 F305C259-L272 HydrophobicContact CB-CD1 3.84Å; L269-L272 HydrophobicContact CD1-CD2 4.39Å; L269-L272 HydrophobicContact CD2-CD1 4.14Å; L269-L272 HydrophobicContact CD2-CD2 4.34Å; L269-L272 HydrophobicContact CD2-CG 4.47Å; L269-L272 HydrophobicContact CG-CD2 4.08Å; L272-F274 HydrophobicContact CB-CE2 4.07Å; L272-V303 HydrophobicContact CB-CG1 4.48Å; L272-V303 HydrophobicContact CD2-CG1 4.28Å; L272-F305 HydrophobicContact CD2-CD1 3.21Å; L272-F305 HydrophobicContact CD2-CE1 3.35Å; L272-F305 HydrophobicContact CD2-CG 4.05Å; L272-F305 HydrophobicContact CD2-CZ 4.27Å
273Q94.6Very high90.2Very high59 Ų5959.7 Ų59.728%0.27633%0.325SS..EExtended strand (participates in β ladder)trans-118.3133.3174-66.8-179.9-4.800110.5F275 V303 R304 N306Q273-F275 HydrophobicContact CB-CE2 4.19Å; Q273-F275 HydrophobicContact CB-CZ 4.39Å; Q273-V303 CarbonylContact O-C 3.41Å; Q273-V303 WeakPolarHBondContact O-CA 3.34Å; Q273-R304 HydrophobicContact CB-CB 4.38Å; Q273-R304 PolarHBondContact N-O 2.84Å; Q273-R304 PolarHBondContact O-N 3.4Å; Q273-N306 PolarHBondContact NE2-ND2 3.43Å; Q273-N306 PolarHBondContact OE1-ND2 2.9Å; Q273-N306 VanDerWaalsContact OE1-ND2 3.09Å
274F95.6Very high90.4Very high49 Ų4953.2 Ų53.222%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-110.1135.4-177.8-67-94.6000110.5V257 C259 L272 V301 A302 V303V257-F274 HydrophobicContact CG1-CE1 4.31Å; C259-F274 HydrophobicContact CB-CZ 4.48Å; L272-F274 HydrophobicContact CB-CE2 4.07Å; F274-V301 HydrophobicContact CD1-CG1 3.94Å; F274-A302 CarbonylContact C-O 3.5Å; F274-A302 WeakPolarHBondContact CA-O 3.43Å; F274-V303 HydrophobicContact CD1-CB 4.45Å; F274-V303 HydrophobicContact CD1-CG1 4.45Å; F274-V303 HydrophobicContact CD1-CG2 3.51Å; F274-V303 HydrophobicContact CE1-CB 4.31Å; F274-V303 HydrophobicContact CE1-CG1 4.06Å; F274-V303 HydrophobicContact CE1-CG2 3.34Å; F274-V303 HydrophobicContact CZ-CG1 4.22Å; F274-V303 HydrophobicContact CZ-CG2 4.27Å
275F95.2Very high90.8Very high42 Ų4251.2 Ų51.218%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-127.7137.3176.6-59.3-78.9000111.7L217 Q273 A302 R304L217-F275 WeakPolarHBondContact O-CB 3.26Å; Q273-F275 HydrophobicContact CB-CE2 4.19Å; Q273-F275 HydrophobicContact CB-CZ 4.39Å; F275-A302 HydrophobicContact CB-CB 4.36Å; F275-A302 PolarHBondContact N-O 2.97Å; F275-A302 PolarHBondContact O-N 3.31Å; F275-R304 HydrophobicContact CE2-CB 4.14Å
276P93.1Very high91.2Very high65 Ų6547.6 Ų47.642%0.42225%0.252SS..SBendcis-70.7-33.9-11.325.1-31.8000113.2W216W216-P276 HydrophobicContact CB-CB 4.26Å; W216-P276 HydrophobicContact CB-CG 4.26Å; W216-P276 WeakPolarHBondContact O-CA 3.48Å; W216-P276 WeakPolarHBondContact O-CB 3.47Å
277K92.7Very high91.7Very high138 Ų13843.4 Ų43.460%0.622%0.224SC*.  trans-143.3160.1176.4-65.2-177.7-179.3178.10107.8I279K277-I279 HydrophobicContact CB-CG1 3.8Å; K277-I279 HydrophobicContact CD-CD1 4.14Å; K277-I279 HydrophobicContact CD-CG1 4.26Å; K277-I279 PolarHBondContact O-N 3.44Å
278S93.8Very high92.1Very high47 Ų4736.6 Ų36.633%0.32919%0.191SC..SBendtrans-75.528.9173.857.70000113.3N256 V257N256-S278 CarbonylContact C-O 3.26Å; N256-S278 VanDerWaalsContact CA-O 3.25Å; N256-S278 WeakPolarHBondContact CA-O 3.5Å; V257-S278 PolarHBondContact N-O 2.84Å
279I94.1Very high92.6Very high53 Ų5337 Ų3727%0.27220%0.196SC..EExtended strand (participates in β ladder)trans-132.5147.7-176.664.5169.4000111.8P254 V255 N256 K277P254-I279 HydrophobicContact CB-CB 4.34Å; P254-I279 HydrophobicContact CB-CD1 4.23Å; V255-I279 CarbonylContact O-C 3.53Å; V255-I279 VanDerWaalsContact O-CA 3.31Å; V255-I279 WeakPolarHBondContact O-CA 3.5Å; N256-I279 HydrophobicContact CB-CG2 4.07Å; K277-I279 HydrophobicContact CB-CG1 3.8Å; K277-I279 HydrophobicContact CD-CD1 4.14Å; K277-I279 HydrophobicContact CD-CG1 4.26Å; K277-I279 PolarHBondContact O-N 3.44Å
280F93.7Very high93Very high2 Ų244.1 Ų44.11%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-92.5113.1165.5-68.4-72.8000109.3M241 V255 V257 Y285 P299 V301 L320M241-F280 HydrophobicContact CB-CE2 4.41Å; M241-F280 HydrophobicContact CB-CZ 4.38Å; V255-F280 HydrophobicContact CG1-CD2 4.44Å; V255-F280 PolarHBondContact O-N 2.95Å; V257-F280 HydrophobicContact CG2-CD2 3.83Å; V257-F280 HydrophobicContact CG2-CE2 3.31Å; V257-F280 HydrophobicContact CG2-CZ 4.13Å; F280-Y285 HydrophobicContact CB-CE2 4.46Å; F280-P299 HydrophobicContact CD1-CB 3.98Å; F280-P299 HydrophobicContact CD1-CG 3.82Å; F280-P299 WeakPolarHBondContact CE1-O 3.37Å; F280-V301 HydrophobicContact CD1-CG2 4.1Å; F280-V301 HydrophobicContact CE1-CB 4.48Å; F280-V301 HydrophobicContact CE1-CG2 3.73Å; F280-V301 HydrophobicContact CE2-CG2 4.38Å; F280-V301 HydrophobicContact CZ-CB 4.37Å; F280-V301 HydrophobicContact CZ-CG2 3.88Å; F280-L320 HydrophobicContact CD2-CD2 4.08Å; F280-L320 HydrophobicContact CE2-CD2 3.5Å; F280-L320 VanDerWaalsContact CE2-CD2 3.5Å
281N93.2Very high93.3Very high26 Ų2647.9 Ų47.914%0.13924%0.237CC..  trans-66.6138-179.8-161.8-48.6000110.7D193 M283 Y284D193-N281 PolarHBondContact N-OD1 3.5Å; D193-N281 PolarHBondContact OD1-ND2 3.29Å; N281-M283 HydrophobicContact CB-CE 4.42Å; N281-M283 HydrophobicContact CB-CG 4.17Å; N281-M283 PolarHBondContact O-N 2.94Å; N281-M283 PolarHBondContact OD1-N 2.84Å; N281-M283 VanDerWaalsContact OD1-N 3.14Å; N281-Y284 HydrophobicContact CB-CD2 4.26Å; N281-Y284 HydrophobicContact CB-CE2 4.3Å; N281-Y284 PolarHBondContact O-N 3.33Å
282L93.3Very high93.4Very high2 Ų242.5 Ų42.51%0.0121%0.21CC..G310 helixtrans-63.6-24.3-177.9-59.5178.1000112.9A194 Y195 P249 G252 P254 Y284 Y285A194-L282 CarbonylContact O-C 3.53Å; Y195-L282 HydrophobicContact CD1-CB 3.93Å; Y195-L282 HydrophobicContact CD1-CD2 4.48Å; Y195-L282 HydrophobicContact CE1-CB 4.02Å; Y195-L282 HydrophobicContact CE1-CD1 4.48Å; Y195-L282 HydrophobicContact CE1-CD2 3.71Å; Y195-L282 HydrophobicContact CE1-CG 4.27Å; P249-L282 HydrophobicContact CG-CD2 4.34Å; G252-L282 WeakPolarHBondContact O-CD1 3.39Å; P254-L282 HydrophobicContact CB-CG 4.49Å; P254-L282 HydrophobicContact CG-CD1 4.23Å; P254-L282 HydrophobicContact CG-CG 4.09Å; L282-Y284 PolarHBondContact O-N 3.22Å; L282-Y285 PolarHBondContact O-N 2.9Å
283M93.1Very high93.3Very high13 Ų1341.1 Ų41.16%0.06420%0.203CC..G310 helixtrans-59.1-22.8-178.572.9-174.8-178.600114.3C190 P191 Q192 A194 F196 C210 N281 Y285C190-M283 HydrophobicContact CB-CB 4.12Å; C190-M283 HydrophobicContact CB-CG 4.42Å; C190-M283 HydrophobicContact CB-SD 4.21Å; P191-M283 WeakPolarHBondContact O-CB 3.14Å; Q192-M283 HydrophobicContact CG-SD 4.34Å; A194-M283 WeakPolarHBondContact O-CA 3.38Å; A194-M283 PolarHBondContact O-N 3.45Å; A194-M283 VanDerWaalsContact O-N 3.12Å; F196-M283 WeakPolarHBondContact CB-O 3.47Å; C210-M283 PolarHBondContact SG-O 2.77Å; N281-M283 HydrophobicContact CB-CE 4.42Å; N281-M283 HydrophobicContact CB-CG 4.17Å; N281-M283 PolarHBondContact O-N 2.94Å; N281-M283 PolarHBondContact OD1-N 2.84Å; N281-M283 VanDerWaalsContact OD1-N 3.14Å; M283-Y285 PolarHBondContact O-N 3.44Å
284Y93.9Very high93.1Very high9 Ų942.4 Ų42.44%0.03522%0.215CC..G310 helixtrans-81.6-0.9177.1-65.6-74.4000114.5C210 Q211 F212 W216 N281 L282 Y296 P299C210-Y284 HydrophobicContact CB-CD1 3.88Å; C210-Y284 HydrophobicContact CB-CE1 3.75Å; Q211-Y284 PolarHBondContact O-OH 3.5Å; F212-Y284 HydrophobicContact CB-CE1 3.98Å; F212-Y284 HydrophobicContact CD2-CE1 4.43Å; F212-Y284 HydrophobicContact CD2-CE2 4.19Å; F212-Y284 AromaticContact CD2-CZ 3.75Å; F212-Y284 WeakPolarHBondContact CD2-OH 3.48Å; W216-Y284 VanDerWaalsContact CZ3-OH 3.3Å; W216-Y284 WeakPolarHBondContact CZ3-OH 3.3Å; N281-Y284 HydrophobicContact CB-CD2 4.26Å; N281-Y284 HydrophobicContact CB-CE2 4.3Å; N281-Y284 PolarHBondContact O-N 3.33Å; L282-Y284 PolarHBondContact O-N 3.22Å; Y284-Y296 VanDerWaalsContact O-CE2 3.26Å; Y284-Y296 WeakPolarHBondContact O-CE2 3.36Å; Y284-Y296 PolarHBondContact O-OH 3.22Å; Y284-P299 HydrophobicContact CD2-CB 3.56Å; Y284-P299 HydrophobicContact CD2-CG 3.77Å; Y284-P299 HydrophobicContact CE2-CB 3.84Å; Y284-P299 HydrophobicContact CG-CB 3.93Å; Y284-P299 HydrophobicContact CG-CG 3.81Å
285Y93.9Very high93Very high6 Ų642.5 Ų42.52%0.02422%0.218CC..  trans-122.9147.2-176.8-57.5-81.8000109.8F196 M241 P249 F280 L282 M283 P299F196-Y285 PolarHBondContact N-O 2.86Å; M241-Y285 HydrophobicContact CE-CE1 3.6Å; M241-Y285 HydrophobicContact CE-CE2 3.91Å; M241-Y285 WeakPolarHBondContact CE-OH 3.39Å; P249-Y285 HydrophobicContact CG-CD1 3.96Å; P249-Y285 HydrophobicContact CG-CD2 3.48Å; P249-Y285 VanDerWaalsContact CG-CD2 3.48Å; P249-Y285 HydrophobicContact CG-CE1 4.31Å; P249-Y285 HydrophobicContact CG-CE2 3.86Å; P249-Y285 HydrophobicContact CG-CG 3.55Å; F280-Y285 HydrophobicContact CB-CE2 4.46Å; L282-Y285 PolarHBondContact O-N 2.9Å; M283-Y285 PolarHBondContact O-N 3.44Å; Y285-P299 HydrophobicContact CE2-CG 4.14Å; Y285-P299 WeakPolarHBondContact OH-CG 3.49Å
286P94.1Very high92.9Very high7 Ų741.3 Ų41.35%0.04521%0.212CC..SBendcis-81.5162.12.731.5-33.8000114.3M197 L248 Y288M197-P286 HydrophobicContact SD-CG 3.85Å; L248-P286 HydrophobicContact CD2-CB 3.84Å; L248-P286 HydrophobicContact CD2-CG 4.06Å; P286-Y288 HydrophobicContact CG-CE1 4.48Å; P286-Y288 HydrophobicContact CG-CE2 3.87Å
287F94.1Very high92.9Very high13 Ų1338.7 Ų38.76%0.05720%0.195CC..BIsolated β-bridgetrans-88.6124.2171.6175.3-118.9000110.6R243 L245 G246 G289 H293 Y296R243-F287 HydrophobicContact CB-CD1 4.05Å; R243-F287 HydrophobicContact CB-CE1 4.45Å; R243-F287 HydrophobicContact CB-CG 4.24Å; R243-F287 HydrophobicContact CG-CD1 4.2Å; R243-F287 HydrophobicContact CG-CE1 4.11Å; L245-F287 CarbonylContact C-O 3.56Å; L245-F287 VanDerWaalsContact CA-O 3.26Å; L245-F287 WeakPolarHBondContact CA-O 3.12Å; G246-F287 PolarHBondContact N-O 3.43Å; F287-G289 VanDerWaalsContact CE1-CA 3.47Å; F287-G289 VanDerWaalsContact CZ-CA 3.47Å; F287-H293 HydrophobicContact CD2-CB 4.37Å; F287-H293 AromaticContact CD2-ND1 3.69Å; F287-H293 HydrophobicContact CE2-CB 4.05Å; F287-Y296 AromaticContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD2 4.26Å; F287-Y296 AromaticContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE2 4.41Å; F287-Y296 AromaticContact CD2-CG 3.7Å; F287-Y296 HydrophobicContact CD2-CG 3.7Å; F287-Y296 AromaticContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CD1 3.47Å; F287-Y296 VanDerWaalsContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CE1 4.11Å; F287-Y296 AromaticContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CG-CD1 4.4Å; F287-Y296 HydrophobicContact CG-CE1 4.24Å
288Y92.9Very high93Very high15 Ų1532.1 Ų32.16%0.05917%0.166CC..  trans-91.111-176.8-70.8-81.1000115.5Q198 D199 R207 P286 R292Q198-Y288 HydrophobicContact CB-CE2 4.27Å; Q198-Y288 PolarHBondContact N-OH 3Å; D199-Y288 PolarHBondContact OD1-OH 2.82Å; R207-Y288 HydrophobicContact CB-CD2 4.26Å; R207-Y288 HydrophobicContact CB-CG 4.42Å; R207-Y288 HydrophobicContact CG-CD1 4.44Å; R207-Y288 HydrophobicContact CG-CD2 4.16Å; R207-Y288 HydrophobicContact CG-CG 3.89Å; P286-Y288 HydrophobicContact CG-CE1 4.48Å; P286-Y288 HydrophobicContact CG-CE2 3.87Å; Y288-R292 PolarHBondContact O-NE 2.94Å; Y288-R292 PolarHBondContact O-NH2 2.65Å; Y288-R292 VanDerWaalsContact O-NH2 3.14Å
289G92.5Very high93Very high9 Ų930 Ų309%0.09315%0.152CC..  trans89.6157.5-179.800000113.7F287 L291 R292 H293F287-G289 VanDerWaalsContact CE1-CA 3.47Å; F287-G289 VanDerWaalsContact CZ-CA 3.47Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.3Å; G289-R292 PolarHBondContact O-N 3.42Å; G289-H293 WeakPolarHBondContact O-CA 3.48Å; G289-H293 WeakPolarHBondContact O-CB 3.37Å; G289-H293 PolarHBondContact O-N 3.39Å
290K92.6Very high93.1Very high161 Ų16127.6 Ų27.670%0.714%0.139SC*.THydrogen-bonded Turntrans-66-32.8-172.3-174.2-177.8175.1-171.70113.3
291L91.7Very high93.2Very high115 Ų11527.6 Ų27.660%0.60214%0.14SC*.THydrogen-bonded Turntrans-69.3-40.4-178.2-72.1172.9000112.4P128 G289 V294P128-L291 HydrophobicContact CB-CD1 3.93Å; P128-L291 WeakPolarHBondContact O-CD1 3.2Å; G289-L291 VanDerWaalsContact C-N 3.33Å; G289-L291 PolarHBondContact O-N 3.3Å; L291-V294 WeakPolarHBondContact O-CG2 3.43Å
292R91.1Very high93.3Very high24 Ų2426.4 Ų26.49%0.09113%0.133CC..THydrogen-bonded Turntrans-91.9-33.4-178.1-56.6-178.4-70.1167.8-14.2112.3Y129 E203 E206 R207 Y288 G289 V294Y129-R292 HydrophobicContact CD1-CG 3.57Å; Y129-R292 HydrophobicContact CE1-CG 4Å; Y129-R292 HydrophobicContact CG-CG 4.47Å; Y129-R292 PolarHBondContact O-NH2 2.89Å; E203-R292 WeakPolarHBondContact O-CD 3.43Å; E206-R292 WeakPolarHBondContact CA-O 3.21Å; R207-R292 HydrophobicContact CG-CB 3.99Å; R207-R292 PolarHBondContact N-O 3.47Å; Y288-R292 PolarHBondContact O-NE 2.94Å; Y288-R292 PolarHBondContact O-NH2 2.65Å; Y288-R292 VanDerWaalsContact O-NH2 3.14Å; G289-R292 PolarHBondContact O-N 3.42Å; R292-V294 PolarHBondContact O-N 3.42Å
293H91.3Very high93.5Very high9 Ų926.3 Ų26.34%0.04213%0.132CC..  trans-106.160.6-173.7-150-178.4000110.5R207 K208 S209 F287 G289 N295 Y296R207-H293 PolarHBondContact O-CD2 2.82Å; K208-H293 PolarHBondContact O-NE2 2.89Å; S209-H293 WeakPolarHBondContact CA-NE2 3.33Å; S209-H293 WeakPolarHBondContact CB-NE2 3.23Å; S209-H293 PolarHBondContact OG-CD2 3.38Å; S209-H293 PolarHBondContact OG-NE2 3.05Å; F287-H293 HydrophobicContact CD2-CB 4.37Å; F287-H293 AromaticContact CD2-ND1 3.69Å; F287-H293 HydrophobicContact CE2-CB 4.05Å; G289-H293 WeakPolarHBondContact O-CA 3.48Å; G289-H293 WeakPolarHBondContact O-CB 3.37Å; G289-H293 PolarHBondContact O-N 3.39Å; H293-N295 PolarHBondContact O-N 2.92Å; H293-Y296 AromaticContact CE1-CD2 3.07Å; H293-Y296 WeakPolarHBondContact CE1-CD2 3.32Å; H293-Y296 AromaticContact CE1-CE2 3.73Å; H293-Y296 AromaticContact CE1-CG 3.77Å; H293-Y296 AromaticContact ND1-CD2 3.42Å; H293-Y296 WeakPolarHBondContact ND1-CD2 3.19Å; H293-Y296 AromaticContact ND1-CG 3.66Å; H293-Y296 AromaticContact NE2-CD2 3.6Å; H293-Y296 VanDerWaalsContact O-CB 3.3Å; H293-Y296 WeakPolarHBondContact O-CB 3.42Å; H293-Y296 PolarHBondContact O-N 3.2Å
294V90.3Very high93.5Very high86 Ų8626.8 Ų26.852%0.52113%0.134SC..THydrogen-bonded Turntrans-61.5-41.3-165.6-176.80000112.7L291 R292L291-V294 WeakPolarHBondContact O-CG2 3.43Å; R292-V294 PolarHBondContact O-N 3.42Å
295N92.4Very high93.5Very high51 Ų5126.3 Ų26.327%0.27313%0.132SC..THydrogen-bonded Turntrans-95.515.6-176.7-63.2-40.9000113.8R186 N187 S209 H293 T297R186-N295 HydrophobicContact CB-CB 4.14Å; N187-N295 PolarHBondContact ND2-O 3.24Å; N187-N295 WeakPolarHBondContact OD1-CB 2.99Å; N187-N295 PolarHBondContact OD1-O 3.27Å; S209-N295 VanDerWaalsContact OG-C 3.3Å; H293-N295 PolarHBondContact O-N 2.92Å; N295-T297 PolarHBondContact O-N 3.13Å
296Y94Very high93.3Very high16 Ų1627.7 Ų27.76%0.06314%0.139CC..PPolyproline II helixtrans-66.3118.8-177.1-178.7-106.2000112.5S209 R243 Y284 F287 H293 A298S209-Y296 WeakPolarHBondContact OG-CA 3.37Å; S209-Y296 PolarHBondContact OG-N 3.3Å; S209-Y296 VanDerWaalsContact OG-N 3.13Å; R243-Y296 HydrophobicContact CB-CE1 4.36Å; Y284-Y296 VanDerWaalsContact O-CE2 3.26Å; Y284-Y296 WeakPolarHBondContact O-CE2 3.36Å; Y284-Y296 PolarHBondContact O-OH 3.22Å; F287-Y296 AromaticContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD1 3.36Å; F287-Y296 HydrophobicContact CD2-CD2 4.26Å; F287-Y296 AromaticContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE1 3.58Å; F287-Y296 HydrophobicContact CD2-CE2 4.41Å; F287-Y296 AromaticContact CD2-CG 3.7Å; F287-Y296 HydrophobicContact CD2-CG 3.7Å; F287-Y296 AromaticContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CD1 3.47Å; F287-Y296 VanDerWaalsContact CE2-CD1 3.47Å; F287-Y296 HydrophobicContact CE2-CE1 4.11Å; F287-Y296 AromaticContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CE2-CG 3.84Å; F287-Y296 HydrophobicContact CG-CD1 4.4Å; F287-Y296 HydrophobicContact CG-CE1 4.24Å; H293-Y296 AromaticContact CE1-CD2 3.07Å; H293-Y296 WeakPolarHBondContact CE1-CD2 3.32Å; H293-Y296 AromaticContact CE1-CE2 3.73Å; H293-Y296 AromaticContact CE1-CG 3.77Å; H293-Y296 AromaticContact ND1-CD2 3.42Å; H293-Y296 WeakPolarHBondContact ND1-CD2 3.19Å; H293-Y296 AromaticContact ND1-CG 3.66Å; H293-Y296 AromaticContact NE2-CD2 3.6Å; H293-Y296 VanDerWaalsContact O-CB 3.3Å; H293-Y296 WeakPolarHBondContact O-CB 3.42Å; H293-Y296 PolarHBondContact O-N 3.2Å; Y296-A298 HydrophobicContact CE1-CB 3.98Å
297T93.3Very high92.9Very high10 Ų1028.9 Ų28.96%0.06115%0.153CC..PPolyproline II helixtrans-102.2126.9166.342.20000109.1Y178 Q183 N295Y178-T297 HydrophobicContact CD1-CG2 4.21Å; Y178-T297 HydrophobicContact CE1-CG2 4.08Å; Q183-T297 PolarHBondContact OE1-OG1 3.27Å; Q183-T297 VanDerWaalsContact OE1-OG1 3.1Å; N295-T297 PolarHBondContact O-N 3.13Å
298A93.6Very high92.7Very high1 Ų129 Ų291%0.00815%0.154CC..PPolyproline II helixtrans-76.9144.3176.400000109.2Y178 R240 Y296Y178-A298 VanDerWaalsContact CE1-O 3.27Å; Y178-A298 WeakPolarHBondContact CE1-O 3.49Å; Y178-A298 PolarHBondContact OH-O 2.81Å; Y178-A298 VanDerWaalsContact OH-O 3.04Å; R240-A298 HydrophobicContact CG-CB 4.39Å; R240-A298 VanDerWaalsContact NE-CB 3.35Å; Y296-A298 HydrophobicContact CE1-CB 3.98Å
299P94.6Very high92.4Very high3 Ų332.8 Ų32.82%0.01917%0.173CC..PPolyproline II helixtrans-63.5143176.827.1-34.3000110.6F212 F280 Y284 Y285F212-P299 HydrophobicContact CD2-CB 4.29Å; F212-P299 HydrophobicContact CE2-CB 4.4Å; F280-P299 HydrophobicContact CD1-CB 3.98Å; F280-P299 HydrophobicContact CD1-CG 3.82Å; F280-P299 WeakPolarHBondContact CE1-O 3.37Å; Y284-P299 HydrophobicContact CD2-CB 3.56Å; Y284-P299 HydrophobicContact CD2-CG 3.77Å; Y284-P299 HydrophobicContact CE2-CB 3.84Å; Y284-P299 HydrophobicContact CG-CB 3.93Å; Y284-P299 HydrophobicContact CG-CG 3.81Å; Y285-P299 HydrophobicContact CE2-CG 4.14Å; Y285-P299 WeakPolarHBondContact OH-CG 3.49Å
300V95.6Very high92.2Very high2 Ų237 Ų371%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-123.4140.6179.2179.90000108.5Y178 F212 L238Y178-V300 HydrophobicContact CE1-CG2 4.08Å; Y178-V300 HydrophobicContact CE2-CG2 4.37Å; Y178-V300 WeakPolarHBondContact OH-CG2 3.43Å; F212-V300 HydrophobicContact CE1-CB 4.44Å; F212-V300 WeakPolarHBondContact CE2-O 3.46Å; F212-V300 HydrophobicContact CZ-CB 4.31Å; F212-V300 WeakPolarHBondContact CZ-O 3.44Å; L238-V300 HydrophobicContact CB-CG1 3.74Å; L238-V300 HydrophobicContact CD1-CG1 4.42Å; L238-V300 HydrophobicContact CD2-CG1 3.92Å; L238-V300 HydrophobicContact CG-CG1 4.21Å
301V96Very high92Very high2 Ų235.1 Ų35.11%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-114.6123.3171.4175.50000107.5L239 F274 F280L239-V301 WeakPolarHBondContact CB-O 3.38Å; L239-V301 PolarHBondContact N-O 2.87Å; L239-V301 PolarHBondContact O-N 3.31Å; F274-V301 HydrophobicContact CD1-CG1 3.94Å; F280-V301 HydrophobicContact CD1-CG2 4.1Å; F280-V301 HydrophobicContact CE1-CB 4.48Å; F280-V301 HydrophobicContact CE1-CG2 3.73Å; F280-V301 HydrophobicContact CE2-CG2 4.38Å; F280-V301 HydrophobicContact CZ-CB 4.37Å; F280-V301 HydrophobicContact CZ-CG2 3.88Å
302A96.3Very high91.9Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-89139.9171.600000110.3L217 C220 I237 L238 F274 F275L217-A302 HydrophobicContact CD2-CB 4.02Å; C220-A302 HydrophobicContact CB-CB 3.55Å; I237-A302 CarbonylContact O-C 3.4Å; I237-A302 WeakPolarHBondContact O-CA 3.4Å; L238-A302 HydrophobicContact CD2-CB 3.69Å; F274-A302 CarbonylContact C-O 3.5Å; F274-A302 WeakPolarHBondContact CA-O 3.43Å; F275-A302 HydrophobicContact CB-CB 4.36Å; F275-A302 PolarHBondContact N-O 2.97Å; F275-A302 PolarHBondContact O-N 3.31Å
303V95.8Very high91.8Very high0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-118120171.4-172.20000108.1C236 I237 L239 L272 Q273 F274 F305C236-V303 WeakPolarHBondContact CA-O 3.43Å; I237-V303 PolarHBondContact N-O 3.42Å; I237-V303 PolarHBondContact O-N 3.48Å; L239-V303 HydrophobicContact CD1-CB 4.49Å; L239-V303 HydrophobicContact CD1-CG2 3.33Å; L239-V303 HydrophobicContact CG-CG2 4.02Å; L272-V303 HydrophobicContact CB-CG1 4.48Å; L272-V303 HydrophobicContact CD2-CG1 4.28Å; Q273-V303 CarbonylContact O-C 3.41Å; Q273-V303 WeakPolarHBondContact O-CA 3.34Å; F274-V303 HydrophobicContact CD1-CB 4.45Å; F274-V303 HydrophobicContact CD1-CG1 4.45Å; F274-V303 HydrophobicContact CD1-CG2 3.51Å; F274-V303 HydrophobicContact CE1-CB 4.31Å; F274-V303 HydrophobicContact CE1-CG1 4.06Å; F274-V303 HydrophobicContact CE1-CG2 3.34Å; F274-V303 HydrophobicContact CZ-CG1 4.22Å; F274-V303 HydrophobicContact CZ-CG2 4.27Å; V303-F305 HydrophobicContact CB-CE2 4.09Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.46Å; V303-F305 HydrophobicContact CG1-CE1 4.38Å; V303-F305 HydrophobicContact CG1-CE2 3.85Å; V303-F305 HydrophobicContact CG1-CZ 3.8Å
304R94.6Very high91.9Very high23 Ų2335 Ų359%0.08718%0.184CC..EExtended strand (participates in β ladder)trans-98.9128.6174.2-164.5-178.9178.6-173.8-1.9109.3E219 Q273 F275 N306E219-R304 IonicContact OE1-NH1 2.59Å; E219-R304 PolarHBondContact OE1-NH1 3.47Å; E219-R304 IonicContact OE2-CZ 3.82Å; E219-R304 IonicContact OE2-NH1 3.74Å; E219-R304 PolarHBondContact OE2-NH1 2.97Å; Q273-R304 HydrophobicContact CB-CB 4.38Å; Q273-R304 PolarHBondContact N-O 2.84Å; Q273-R304 PolarHBondContact O-N 3.4Å; F275-R304 HydrophobicContact CE2-CB 4.14Å; R304-N306 WeakPolarHBondContact CD-OD1 3.48Å; R304-N306 VanDerWaalsContact CG-OD1 3.25Å; R304-N306 WeakPolarHBondContact CG-OD1 3.33Å; R304-N306 PolarHBondContact NE-OD1 3.44Å
305F93.8Very high92.1Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-97.499178.3-64.2-93.3000108.7K234 P235 I237 L269 L272 V303 V316 F340 F342K234-F305 VanDerWaalsContact CA-O 3.23Å; K234-F305 WeakPolarHBondContact CA-O 2.91Å; K234-F305 WeakPolarHBondContact CB-O 3.48Å; P235-F305 HydrophobicContact CG-CB 4.45Å; P235-F305 WeakPolarHBondContact O-CD2 3.48Å; P235-F305 PolarHBondContact O-N 3.33Å; I237-F305 HydrophobicContact CB-CE2 4.03Å; I237-F305 HydrophobicContact CG1-CD2 4.1Å; I237-F305 HydrophobicContact CG1-CE2 3.57Å; L269-F305 HydrophobicContact CD1-CD1 3.63Å; L269-F305 HydrophobicContact CD1-CE1 3.7Å; L269-F305 HydrophobicContact CG-CD1 4.44Å; L272-F305 HydrophobicContact CD2-CD1 3.21Å; L272-F305 HydrophobicContact CD2-CE1 3.35Å; L272-F305 HydrophobicContact CD2-CG 4.05Å; L272-F305 HydrophobicContact CD2-CZ 4.27Å; V303-F305 HydrophobicContact CB-CE2 4.09Å; V303-F305 HydrophobicContact CB-CZ 4.37Å; V303-F305 HydrophobicContact CG1-CD2 4.46Å; V303-F305 HydrophobicContact CG1-CE1 4.38Å; V303-F305 HydrophobicContact CG1-CE2 3.85Å; V303-F305 HydrophobicContact CG1-CZ 3.8Å; F305-V316 HydrophobicContact CE1-CG1 4.19Å; F305-V316 HydrophobicContact CE1-CG2 4.41Å; F305-V316 HydrophobicContact CZ-CG1 4.43Å; F305-F340 HydrophobicContact CE2-CE2 4.49Å; F305-F340 HydrophobicContact CE2-CZ 4.43Å; F305-F340 HydrophobicContact CZ-CE2 4.18Å; F305-F340 AromaticContact CZ-CZ 3.95Å; F305-F340 HydrophobicContact CZ-CZ 3.95Å; F305-F342 HydrophobicContact CD1-CE2 4.02Å; F305-F342 HydrophobicContact CD1-CZ 4.48Å; F305-F342 HydrophobicContact CD2-CE2 4.12Å; F305-F342 AromaticContact CD2-CZ 3.76Å; F305-F342 HydrophobicContact CD2-CZ 3.76Å; F305-F342 AromaticContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CZ 4.47Å; F305-F342 HydrophobicContact CE2-CE2 4.01Å; F305-F342 AromaticContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CG-CE2 4.14Å; F305-F342 HydrophobicContact CG-CZ 4.15Å; F305-F342 AromaticContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CZ 4.14Å
306N89.8Confident92.2Very high34 Ų3429.7 Ų29.718%0.18215%0.153CC..SBendtrans-88.4-27.4-171.1-813.4000114.3K234 E271 Q273 R304K234-N306 VanDerWaalsContact CE-O 3.3Å; K234-N306 WeakPolarHBondContact CE-O 3.47Å; E271-N306 PolarHBondContact O-N 2.82Å; Q273-N306 PolarHBondContact NE2-ND2 3.43Å; Q273-N306 PolarHBondContact OE1-ND2 2.9Å; Q273-N306 VanDerWaalsContact OE1-ND2 3.09Å; R304-N306 WeakPolarHBondContact CD-OD1 3.48Å; R304-N306 VanDerWaalsContact CG-OD1 3.25Å; R304-N306 WeakPolarHBondContact CG-OD1 3.33Å; R304-N306 PolarHBondContact NE-OD1 3.44Å
307G84.9Confident92.2Very high33 Ų3331.1 Ų31.134%0.3416%0.16SC..SBendtrans-117.334.6-175.300000113.4L269 G270 Q309L269-G307 CarbonylContact C-O 3.59Å; G270-G307 WeakPolarHBondContact CA-O 3.41Å; G270-G307 PolarHBondContact N-O 3.48Å; G307-Q309 PolarHBondContact O-N 2.89Å
308L88.9Confident92.3Very high14 Ų1430.7 Ų30.77%0.07316%0.157CC..PPolyproline II helixtrans-69.4127178.5-162.572.1000110.3P235 S268 L269 I314 F342 V344P235-L308 HydrophobicContact CG-CD2 4.27Å; S268-L308 WeakPolarHBondContact O-CA 3.49Å; L269-L308 HydrophobicContact CD1-CD1 4.48Å; L308-I314 HydrophobicContact CD1-CD1 3.3Å; L308-I314 HydrophobicContact CD1-CG1 4.21Å; L308-F342 HydrophobicContact CD1-CD2 4.31Å; L308-F342 HydrophobicContact CD2-CB 4.38Å; L308-F342 HydrophobicContact CD2-CD1 4.37Å; L308-F342 HydrophobicContact CD2-CG 4.25Å; L308-V344 HydrophobicContact CD2-CB 4.04Å; L308-V344 HydrophobicContact CD2-CG2 3.35Å
309Q86.9Confident92.3Very high95 Ų9535 Ų3544%0.44418%0.176SC..PPolyproline II helixtrans-79.3134.1175.8-72-175.61.900111.7S268 G307 T312S268-Q309 PolarHBondContact O-N 3.44Å; G307-Q309 PolarHBondContact O-N 2.89Å; Q309-T312 HydrophobicContact CB-CG2 4.24Å; Q309-T312 PolarHBondContact O-OG1 3.31Å
310Y89.8Confident92.3Very high99 Ų9934.9 Ų34.939%0.38818%0.175SC..THydrogen-bonded Turntrans-67153.8174.7-62.8-75.7000112.1A158 Q232 T312 V344 A346A158-Y310 HydrophobicContact CB-CE1 4.16Å; Q232-Y310 PolarHBondContact O-OH 3.5Å; Y310-T312 PolarHBondContact O-N 3.48Å; Y310-T312 VanDerWaalsContact O-N 3.16Å; Y310-V344 CarbonylContact C-O 3.5Å; Y310-V344 VanDerWaalsContact CA-O 3.31Å; Y310-V344 WeakPolarHBondContact CA-O 3.45Å; Y310-V344 HydrophobicContact CD1-CG1 3.85Å; Y310-V344 HydrophobicContact CE1-CG1 3.95Å; Y310-A346 HydrophobicContact CD1-CB 4.22Å; Y310-A346 HydrophobicContact CG-CB 4.26Å
311D88.1Confident92.2Very high121 Ų12137 Ų3765%0.64719%0.186SC*.THydrogen-bonded Turntrans57.427.2175.6-52-46.8000113.8V344D311-V344 PolarHBondContact N-O 2.86Å
312T87.8Confident92Very high39 Ų3938.3 Ų38.324%0.23920%0.2CC..  trans-119.8130.7175.365.70000111.4Q309 Y310Q309-T312 HydrophobicContact CB-CG2 4.24Å; Q309-T312 PolarHBondContact O-OG1 3.31Å; Y310-T312 PolarHBondContact O-N 3.48Å; Y310-T312 VanDerWaalsContact O-N 3.16Å
313H91Very high91.6Very high105 Ų10544.3 Ų44.349%0.48623%0.226SC..EExtended strand (participates in β ladder)trans-86.6112171.6176.8-81.6000110F342H313-F342 WeakPolarHBondContact CA-O 3.47Å
314I93.1Very high91.1Very high1 Ų147.1 Ų47.11%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-122.8145.7-179.270.9162.7000110.8S268 L269 L308 V316 S341 F342S268-I314 WeakPolarHBondContact OG-CG2 3.27Å; L269-I314 HydrophobicContact CD1-CD1 3.69Å; L308-I314 HydrophobicContact CD1-CD1 3.3Å; L308-I314 HydrophobicContact CD1-CG1 4.21Å; I314-V316 HydrophobicContact CD1-CG2 3.93Å; I314-V316 HydrophobicContact CG1-CG2 4.36Å; I314-S341 CarbonylContact O-C 3.55Å; I314-S341 WeakPolarHBondContact O-CA 3.42Å; I314-F342 HydrophobicContact CD1-CD2 4.18Å; I314-F342 HydrophobicContact CG1-CB 3.8Å; I314-F342 HydrophobicContact CG1-CD2 4.17Å; I314-F342 HydrophobicContact CG1-CG 4.5Å; I314-F342 PolarHBondContact N-O 3.5Å; I314-F342 VanDerWaalsContact N-O 3.07Å; I314-F342 PolarHBondContact O-N 3.17Å
315V93.8Very high90.8Very high25 Ų2547 Ų4715%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-114.6117.2174.7-173.80000108.9K262 K263 F340K262-V315 HydrophobicContact CB-CG1 4.44Å; K262-V315 PolarHBondContact N-O 3.35Å; K263-V315 HydrophobicContact CB-CB 3.98Å; K263-V315 HydrophobicContact CB-CG2 4.03Å; K263-V315 PolarHBondContact N-O 2.87Å; K263-V315 PolarHBondContact O-N 2.83Å; V315-F340 CarbonylContact C-O 3.09Å; V315-F340 WeakPolarHBondContact CA-O 3.45Å
316V93.9Very high90.4Very high0 Ų051.5 Ų51.50%028%0.279CS..EExtended strand (participates in β ladder)trans-100.1135.9-179.9-176.70000109.2C259 G260 L269 F305 I314 S339 F340 F342C259-V316 HydrophobicContact CB-CG1 4.23Å; G260-V316 WeakPolarHBondContact O-CA 3.45Å; L269-V316 HydrophobicContact CD1-CG1 4.46Å; L269-V316 HydrophobicContact CD1-CG2 3.45Å; L269-V316 VanDerWaalsContact CD1-CG2 3.45Å; F305-V316 HydrophobicContact CE1-CG1 4.19Å; F305-V316 HydrophobicContact CE1-CG2 4.41Å; F305-V316 HydrophobicContact CZ-CG1 4.43Å; I314-V316 HydrophobicContact CD1-CG2 3.93Å; I314-V316 HydrophobicContact CG1-CG2 4.36Å; V316-S339 VanDerWaalsContact O-CA 3.28Å; V316-S339 WeakPolarHBondContact O-CA 3.12Å; V316-F340 HydrophobicContact CB-CE2 4.21Å; V316-F340 HydrophobicContact CB-CZ 4.25Å; V316-F340 HydrophobicContact CG1-CZ 4.2Å; V316-F340 PolarHBondContact N-O 3.46Å; V316-F340 PolarHBondContact O-N 3.01Å; V316-F342 HydrophobicContact CG2-CD2 3.89Å; V316-F342 HydrophobicContact CG2-CE2 4.03Å
317K94.4Very high90.2Very high47 Ų4751 Ų5120%0.20428%0.277CS..EExtended strand (participates in β ladder)trans-113.5116.9169.5-175.4179.6-177.5-173.90108.7C259 G260 K262 N327 D328 S337 V338C259-K317 WeakPolarHBondContact CA-O 3.41Å; G260-K317 PolarHBondContact N-O 2.89Å; G260-K317 PolarHBondContact O-N 3.32Å; K262-K317 HydrophobicContact CB-CB 3.96Å; K262-K317 HydrophobicContact CD-CB 4.25Å; K262-K317 HydrophobicContact CD-CD 4.36Å; K317-N327 PolarHBondContact NZ-O 3.49Å; K317-D328 IonicContact NZ-OD1 3.57Å; K317-S337 VanDerWaalsContact CE-CB 3.42Å; K317-S337 WeakPolarHBondContact CE-OG 3.39Å; K317-V338 WeakPolarHBondContact CA-O 3.35Å
318C94.9Very high89.9Confident0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-95.7135167.4-65.40000109.2M142 L239 T258 C259 S337 V338M142-C318 HydrophobicContact CE-CB 4.15Å; M142-C318 HydrophobicContact SD-CB 4.37Å; L239-C318 HydrophobicContact CD1-CB 3.99Å; L239-C318 HydrophobicContact CD2-CB 4.48Å; T258-C318 CarbonylContact O-C 3.55Å; T258-C318 WeakPolarHBondContact O-CA 3.21Å; C259-C318 HydrophobicContact CB-CB 4.11Å; C259-C318 WeakPolarHBondContact CB-SG 3.35Å; C259-C318 WeakPolarHBondContact SG-CB 3.3Å; C259-C318 CovalentContact SG-SG 2.04Å; C259-C318 PolarHBondContact SG-SG 3.45Å; C318-S337 CarbonylContact O-C 3.51Å; C318-S337 WeakPolarHBondContact O-CA 3.15Å; C318-S337 WeakPolarHBondContact O-CB 3.36Å; C318-V338 HydrophobicContact CB-CG1 3.97Å; C318-V338 PolarHBondContact N-O 2.76Å; C318-V338 PolarHBondContact O-N 2.87Å
319K94.8Very high89.6Confident92 Ų9256.6 Ų56.640%0.430%0.301SS..EExtended strand (participates in β ladder)trans-132.2144-176.755.9178.7176.4173.10110.7T258T258-K319 PolarHBondContact N-O 3.39Å; T258-K319 WeakPolarHBondContact O-CG 3.39Å; T258-K319 PolarHBondContact O-N 2.88Å; T258-K319 VanDerWaalsContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CE 3.23Å; T258-K319 WeakPolarHBondContact OG1-CG 3.19Å
320L94.7Very high89.3Confident0 Ų058.1 Ų58.10%032%0.319CS..EExtended strand (participates in β ladder)trans-87.5124.2173.4-59.8179.6000108.3M142 M241 V255 N256 V257 F280 I325 N327 G336M142-L320 HydrophobicContact CB-CD1 4.16Å; M142-L320 HydrophobicContact CB-CG 4.32Å; M142-L320 HydrophobicContact CE-CD2 3.89Å; M142-L320 HydrophobicContact CG-CD1 4.47Å; M142-L320 HydrophobicContact CG-CD2 4.32Å; M142-L320 HydrophobicContact CG-CG 4.31Å; M142-L320 HydrophobicContact SD-CD2 3.7Å; M142-L320 HydrophobicContact SD-CG 3.75Å; M241-L320 HydrophobicContact CB-CD1 4.48Å; M241-L320 HydrophobicContact CG-CD1 4.03Å; M241-L320 HydrophobicContact SD-CD1 3.87Å; V255-L320 HydrophobicContact CG1-CB 3.89Å; V255-L320 HydrophobicContact CG1-CD2 4.25Å; N256-L320 CarbonylContact O-C 3.6Å; N256-L320 WeakPolarHBondContact O-CA 3.26Å; V257-L320 HydrophobicContact CG2-CD2 3.88Å; F280-L320 HydrophobicContact CD2-CD2 4.08Å; F280-L320 HydrophobicContact CE2-CD2 3.5Å; F280-L320 VanDerWaalsContact CE2-CD2 3.5Å; L320-I325 HydrophobicContact CB-CD1 3.85Å; L320-I325 HydrophobicContact CB-CG2 3.96Å; L320-N327 PolarHBondContact O-ND2 3.17Å; L320-N327 PolarHBondContact O-OD1 3.41Å; L320-G336 WeakPolarHBondContact CB-O 3.24Å; L320-G336 WeakPolarHBondContact CG-O 3.23Å; L320-G336 PolarHBondContact N-O 3Å
321N93.5Very high89Confident47 Ų4759.6 Ų59.625%0.25134%0.339SS..EExtended strand (participates in β ladder)trans-111.2127.5171.8-29.3-82.6000110.5N256 T258N256-N321 PolarHBondContact N-O 2.95Å; N256-N321 PolarHBondContact O-N 2.81Å; N256-N321 WeakPolarHBondContact OD1-CA 3.46Å; N256-N321 WeakPolarHBondContact OD1-CB 3.21Å; N256-N321 VanDerWaalsContact OD1-CG 3.29Å; N256-N321 PolarHBondContact OD1-N 3.19Å; N256-N321 PolarHBondContact OD1-ND2 2.98Å; N256-N321 PolarHBondContact OD1-O 2.85Å; T258-N321 WeakPolarHBondContact CG2-ND2 3.22Å; T258-N321 PolarHBondContact OG1-ND2 3.16Å
322G90.9Very high88.8Confident30 Ų3057 Ų5731%0.30933%0.325SS..SBendtrans178.7161.8-178.400000110.2G324 I325G322-G324 PolarHBondContact O-N 3.33Å; G322-I325 PolarHBondContact O-N 3Å
323K89.1Confident88.7Confident125 Ų12564.3 Ų64.354%0.54335%0.348SS..THydrogen-bonded Turntrans-63132.2176.7-65.7-178.6179.4178.40110.2G250 I325G250-K323 WeakPolarHBondContact CA-O 3.46Å; K323-I325 VanDerWaalsContact C-N 3.33Å
324G84.1Confident88.6Confident59 Ų5962.7 Ų62.761%0.60834%0.34SS*.THydrogen-bonded Turntrans82.22.5179.300000115.4G322G322-G324 PolarHBondContact O-N 3.33Å
325I88.2Confident88.5Confident22 Ų2264 Ų6411%0.11335%0.346CS..  trans-95.7130.2174.8-58.5-177.5000109.5V255 L320 G322 K323 N327V255-I325 HydrophobicContact CB-CD1 4.17Å; V255-I325 HydrophobicContact CG1-CD1 3.41Å; V255-I325 VanDerWaalsContact CG1-CD1 3.41Å; V255-I325 HydrophobicContact CG2-CD1 3.6Å; L320-I325 HydrophobicContact CB-CD1 3.85Å; L320-I325 HydrophobicContact CB-CG2 3.96Å; G322-I325 PolarHBondContact O-N 3Å; K323-I325 VanDerWaalsContact C-N 3.33Å; I325-N327 WeakPolarHBondContact CG2-OD1 3.22Å
326I86.4Confident88.4Confident93 Ų9362.8 Ų62.848%0.47734%0.339SS..  trans-105.6131.2176.6-57.2168000107.6P139 L335 G336P139-I326 HydrophobicContact CG-CB 3.98Å; P139-I326 HydrophobicContact CG-CD1 3.99Å; P139-I326 HydrophobicContact CG-CG1 4.11Å; I326-L335 HydrophobicContact CB-CD2 3.75Å; I326-L335 HydrophobicContact CG2-CD2 4.09Å; I326-L335 CarbonylContact O-C 3.59Å; I326-L335 WeakPolarHBondContact O-CD2 3.38Å; I326-G336 WeakPolarHBondContact O-CA 3.34Å
327N85.3Confident88.3Confident24 Ų2462.9 Ų62.913%0.12834%0.34CS..  trans-117.6-7.1-177.1-67.2-28.9000114K317 L320 I325 G336K317-N327 PolarHBondContact NZ-O 3.49Å; L320-N327 PolarHBondContact O-ND2 3.17Å; L320-N327 PolarHBondContact O-OD1 3.41Å; I325-N327 WeakPolarHBondContact CG2-OD1 3.22Å; N327-G336 VanDerWaalsContact OD1-CA 3.22Å; N327-G336 WeakPolarHBondContact OD1-CA 3.18Å; N327-G336 PolarHBondContact OD1-O 3.32Å
328D78.8Confident88.3Confident137 Ų13760.6 Ų60.673%0.73333%0.33SS*.  trans-11939.3-168.9-60.2-40.6000111.2K317 P330K317-D328 IonicContact NZ-OD1 3.57Å; D328-P330 WeakPolarHBondContact O-CD 3.45Å
329S82.9Confident88.2Confident28 Ų2861.8 Ų61.820%0.19634%0.338CS..  trans-74.3125.7172.2-178.80000110.3T331 D332S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact OG-OG1 3.11Å; S329-T331 VanDerWaalsContact OG-OG1 3.09Å; S329-D332 WeakPolarHBondContact CB-O 3.41Å; S329-D332 PolarHBondContact OG-N 2.93Å
330P80.3Confident88.1Confident126 Ų12657.5 Ų57.582%0.81832%0.32SS*.SBendtrans-75.8-25.2175.729.7-33.3000112.4D328D328-P330 WeakPolarHBondContact O-CD 3.45Å
331T83.6Confident88.1Confident131 Ų13158.3 Ų58.380%0.80433%0.325SS*.SBendtrans-85.2-38.3-177.352.10000112.1S329S329-T331 VanDerWaalsContact C-N 3.34Å; S329-T331 PolarHBondContact OG-OG1 3.11Å; S329-T331 VanDerWaalsContact OG-OG1 3.09Å
332D83.7Confident88Confident66 Ų6656.1 Ų56.135%0.35331%0.313SS..  trans-120.6114.9-177.4-169.8-8.1000111.7S329 F334 L335S329-D332 WeakPolarHBondContact CB-O 3.41Å; S329-D332 PolarHBondContact OG-N 2.93Å; D332-F334 VanDerWaalsContact C-N 3.31Å; D332-F334 PolarHBondContact OD1-N 3.31Å; D332-L335 HydrophobicContact CB-CB 3.84Å; D332-L335 HydrophobicContact CB-CD1 4.2Å
333R85.3Confident88.1Confident192 Ų19257.9 Ų57.973%0.72532%0.315SS*.THydrogen-bonded Turntrans-78.6-16.5-178.7-54178.3-176.2176.62.4113S337R333-S337 VanDerWaalsContact O-O 3.13Å
334F88.9Confident88Confident71 Ų7152 Ų5231%0.31129%0.29SS..THydrogen-bonded Turntrans-100.6-5.1-176.5-62.2-71.6000113.1G141 M142 Y152 D332 G336 S337 V338G141-F334 CarbonylContact C-O 3.43Å; G141-F334 WeakPolarHBondContact CA-O 3.23Å; M142-F334 PolarHBondContact N-O 2.81Å; Y152-F334 AromaticContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CE1 3.91Å; Y152-F334 HydrophobicContact CD1-CZ 4.5Å; Y152-F334 AromaticContact CD2-CE1 3.97Å; Y152-F334 HydrophobicContact CD2-CE1 3.97Å; Y152-F334 AromaticContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CD2-CZ 3.72Å; Y152-F334 HydrophobicContact CE1-CD1 4.28Å; Y152-F334 AromaticContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CE1 3.51Å; Y152-F334 HydrophobicContact CE1-CZ 4.19Å; Y152-F334 AromaticContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE1 3.58Å; Y152-F334 HydrophobicContact CE2-CE2 4.33Å; Y152-F334 AromaticContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CE2-CZ 3.34Å; Y152-F334 HydrophobicContact CG-CE1 4.13Å; Y152-F334 HydrophobicContact CG-CZ 4.3Å; Y152-F334 AromaticContact CZ-CE1 3.34Å; Y152-F334 AromaticContact CZ-CZ 3.61Å; D332-F334 VanDerWaalsContact C-N 3.31Å; D332-F334 PolarHBondContact OD1-N 3.31Å; F334-G336 PolarHBondContact O-N 3.46Å; F334-S337 CarbonylContact C-O 3.53Å; F334-S337 WeakPolarHBondContact CA-O 3.33Å; F334-S337 VanDerWaalsContact O-O 3.09Å; F334-V338 HydrophobicContact CD1-CG2 4.04Å; F334-V338 HydrophobicContact CE1-CG2 4.09Å
335L91.8Very high88.2Confident28 Ų2849.7 Ų49.715%0.14727%0.267CS..BIsolated β-bridgetrans-75.9115.7179.9-167.2158.8000109.3P139 I326 D332 S337P139-L335 HydrophobicContact CG-CD1 4.22Å; P139-L335 HydrophobicContact CG-CD2 3.38Å; P139-L335 HydrophobicContact CG-CG 3.91Å; I326-L335 HydrophobicContact CB-CD2 3.75Å; I326-L335 HydrophobicContact CG2-CD2 4.09Å; I326-L335 CarbonylContact O-C 3.59Å; I326-L335 WeakPolarHBondContact O-CD2 3.38Å; D332-L335 HydrophobicContact CB-CB 3.84Å; D332-L335 HydrophobicContact CB-CD1 4.2Å; L335-S337 PolarHBondContact O-N 2.91Å
336G90.2Very high87.6Confident0 Ų051.8 Ų51.80%029%0.287CS..SBendtrans62.4-8.2-175.100000116.6P140 L320 I326 N327 F334P140-G336 PolarHBondContact O-N 2.82Å; P140-G336 VanDerWaalsContact O-N 3.13Å; L320-G336 WeakPolarHBondContact CB-O 3.24Å; L320-G336 WeakPolarHBondContact CG-O 3.23Å; L320-G336 PolarHBondContact N-O 3Å; I326-G336 WeakPolarHBondContact O-CA 3.34Å; N327-G336 VanDerWaalsContact OD1-CA 3.22Å; N327-G336 WeakPolarHBondContact OD1-CA 3.18Å; N327-G336 PolarHBondContact OD1-O 3.32Å; F334-G336 PolarHBondContact O-N 3.46Å
337S93.1Very high87.6Confident2 Ų249.7 Ų49.71%0.01428%0.277CS..EExtended strand (participates in β ladder)trans-149.6159.3-177.464.70000111.6K317 C318 R333 F334 L335K317-S337 VanDerWaalsContact CE-CB 3.42Å; K317-S337 WeakPolarHBondContact CE-OG 3.39Å; C318-S337 CarbonylContact O-C 3.51Å; C318-S337 WeakPolarHBondContact O-CA 3.15Å; C318-S337 WeakPolarHBondContact O-CB 3.36Å; R333-S337 VanDerWaalsContact O-O 3.13Å; F334-S337 CarbonylContact C-O 3.53Å; F334-S337 WeakPolarHBondContact CA-O 3.33Å; F334-S337 VanDerWaalsContact O-O 3.09Å; L335-S337 PolarHBondContact O-N 2.91Å
338V93.7Very high87.7Confident0 Ų051.1 Ų51.10%029%0.285CS..EExtended strand (participates in β ladder)trans-132.3132.8174.861.70000108.5M142 M144 Y152 L239 K317 C318 F334 F340M142-V338 HydrophobicContact CB-CB 4.43Å; M142-V338 HydrophobicContact CE-CG1 4.41Å; M142-V338 HydrophobicContact CG-CB 4.39Å; M142-V338 HydrophobicContact CG-CG1 3.99Å; M142-V338 HydrophobicContact SD-CG1 3.92Å; M144-V338 HydrophobicContact CB-CG1 4.16Å; M144-V338 HydrophobicContact CB-CG2 4.02Å; M144-V338 HydrophobicContact CG-CG2 3.8Å; Y152-V338 HydrophobicContact CD1-CG2 3.99Å; Y152-V338 HydrophobicContact CE1-CG2 3.93Å; L239-V338 HydrophobicContact CD2-CG1 4.12Å; K317-V338 WeakPolarHBondContact CA-O 3.35Å; C318-V338 HydrophobicContact CB-CG1 3.97Å; C318-V338 PolarHBondContact N-O 2.76Å; C318-V338 PolarHBondContact O-N 2.87Å; F334-V338 HydrophobicContact CD1-CG2 4.04Å; F334-V338 HydrophobicContact CE1-CG2 4.09Å; V338-F340 HydrophobicContact CG1-CD1 4.45Å; V338-F340 HydrophobicContact CG1-CE1 4.39Å; V338-F340 HydrophobicContact CG2-CD1 4.47Å
339S93.3Very high88.2Confident24 Ų2446.3 Ų46.317%0.16826%0.26CS..EExtended strand (participates in β ladder)trans-112.7132.2175.9-54.90000109.5V316V316-S339 VanDerWaalsContact O-CA 3.28Å; V316-S339 WeakPolarHBondContact O-CA 3.12Å
340F93.6Very high88.5Confident3 Ų347.4 Ų47.41%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-143.8154177.654-85.9000110.6M144 Y152 I154 I237 F305 V315 V316 V338 F342M144-F340 HydrophobicContact CB-CD1 4.48Å; M144-F340 HydrophobicContact CE-CB 3.86Å; M144-F340 HydrophobicContact CE-CG 4.36Å; M144-F340 HydrophobicContact CG-CD1 4.1Å; M144-F340 HydrophobicContact CG-CG 4.49Å; Y152-F340 CarbonylContact O-C 3.6Å; Y152-F340 WeakPolarHBondContact O-CA 3.38Å; Y152-F340 WeakPolarHBondContact O-CB 3.26Å; I154-F340 HydrophobicContact CD1-CD2 4.25Å; I237-F340 HydrophobicContact CG1-CE2 4.22Å; I237-F340 HydrophobicContact CG1-CZ 4.48Å; I237-F340 HydrophobicContact CG2-CZ 4.18Å; F305-F340 HydrophobicContact CE2-CE2 4.49Å; F305-F340 HydrophobicContact CE2-CZ 4.43Å; F305-F340 HydrophobicContact CZ-CE2 4.18Å; F305-F340 AromaticContact CZ-CZ 3.95Å; F305-F340 HydrophobicContact CZ-CZ 3.95Å; V315-F340 CarbonylContact C-O 3.09Å; V315-F340 WeakPolarHBondContact CA-O 3.45Å; V316-F340 HydrophobicContact CB-CE2 4.21Å; V316-F340 HydrophobicContact CB-CZ 4.25Å; V316-F340 HydrophobicContact CG1-CZ 4.2Å; V316-F340 PolarHBondContact N-O 3.46Å; V316-F340 PolarHBondContact O-N 3.01Å; V338-F340 HydrophobicContact CG1-CD1 4.45Å; V338-F340 HydrophobicContact CG1-CE1 4.39Å; V338-F340 HydrophobicContact CG2-CD1 4.47Å; F340-F342 HydrophobicContact CD2-CD2 4.39Å; F340-F342 AromaticContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CZ 4.13Å; F340-F342 HydrophobicContact CE2-CD2 4.2Å; F340-F342 HydrophobicContact CE2-CE1 4.43Å; F340-F342 AromaticContact CE2-CE2 3.38Å; F340-F342 HydrophobicContact CE2-CE2 3.38Å; F340-F342 AromaticContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CZ-CE2 4.42Å
341S93Very high89.1Confident16 Ų1642.4 Ų42.411%0.11223%0.229CC..EExtended strand (participates in β ladder)trans-102.3149.6177.350.10000111.9Y152 E153 I154 I314Y152-S341 PolarHBondContact O-N 3.4Å; E153-S341 WeakPolarHBondContact CA-OG 3.15Å; E153-S341 WeakPolarHBondContact CB-OG 3.34Å; E153-S341 WeakPolarHBondContact CG-OG 3.06Å; I154-S341 PolarHBondContact N-O 2.93Å; I314-S341 CarbonylContact O-C 3.55Å; I314-S341 WeakPolarHBondContact O-CA 3.42Å
342F92.5Very high89.4Confident1 Ų136.5 Ų36.50%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-115.8137.2168.2-75.1-68.6000109.6I154 P235 I237 F305 L308 H313 I314 V316 F340 V344I154-F342 HydrophobicContact CB-CD1 3.8Å; I154-F342 HydrophobicContact CB-CE1 4Å; I154-F342 HydrophobicContact CD1-CE1 3.93Å; I154-F342 HydrophobicContact CD1-CZ 4.5Å; I154-F342 HydrophobicContact CG2-CD1 3.95Å; I154-F342 HydrophobicContact CG2-CE1 3.95Å; I154-F342 WeakPolarHBondContact O-CA 3.47Å; P235-F342 HydrophobicContact CB-CE1 4.44Å; P235-F342 HydrophobicContact CG-CD1 4.46Å; P235-F342 HydrophobicContact CG-CE1 3.76Å; P235-F342 HydrophobicContact CG-CZ 4.2Å; I237-F342 HydrophobicContact CD1-CE1 4.18Å; I237-F342 HydrophobicContact CD1-CZ 4.17Å; I237-F342 HydrophobicContact CG1-CE1 4.35Å; I237-F342 HydrophobicContact CG1-CZ 3.83Å; F305-F342 HydrophobicContact CD1-CE2 4.02Å; F305-F342 HydrophobicContact CD1-CZ 4.48Å; F305-F342 HydrophobicContact CD2-CE2 4.12Å; F305-F342 AromaticContact CD2-CZ 3.76Å; F305-F342 HydrophobicContact CD2-CZ 3.76Å; F305-F342 AromaticContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CE2 3.9Å; F305-F342 HydrophobicContact CE1-CZ 4.47Å; F305-F342 HydrophobicContact CE2-CE2 4.01Å; F305-F342 AromaticContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CE2-CZ 3.77Å; F305-F342 HydrophobicContact CG-CE2 4.14Å; F305-F342 HydrophobicContact CG-CZ 4.15Å; F305-F342 AromaticContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CE2 3.9Å; F305-F342 HydrophobicContact CZ-CZ 4.14Å; L308-F342 HydrophobicContact CD1-CD2 4.31Å; L308-F342 HydrophobicContact CD2-CB 4.38Å; L308-F342 HydrophobicContact CD2-CD1 4.37Å; L308-F342 HydrophobicContact CD2-CG 4.25Å; H313-F342 WeakPolarHBondContact CA-O 3.47Å; I314-F342 HydrophobicContact CD1-CD2 4.18Å; I314-F342 HydrophobicContact CG1-CB 3.8Å; I314-F342 HydrophobicContact CG1-CD2 4.17Å; I314-F342 HydrophobicContact CG1-CG 4.5Å; I314-F342 PolarHBondContact N-O 3.5Å; I314-F342 VanDerWaalsContact N-O 3.07Å; I314-F342 PolarHBondContact O-N 3.17Å; V316-F342 HydrophobicContact CG2-CD2 3.89Å; V316-F342 HydrophobicContact CG2-CE2 4.03Å; F340-F342 HydrophobicContact CD2-CD2 4.39Å; F340-F342 AromaticContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CE2 3.97Å; F340-F342 HydrophobicContact CD2-CZ 4.13Å; F340-F342 HydrophobicContact CE2-CD2 4.2Å; F340-F342 HydrophobicContact CE2-CE1 4.43Å; F340-F342 AromaticContact CE2-CE2 3.38Å; F340-F342 HydrophobicContact CE2-CE2 3.38Å; F340-F342 AromaticContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CE2-CZ 3.53Å; F340-F342 HydrophobicContact CZ-CE2 4.42Å; F342-V344 HydrophobicContact CB-CG2 4.35Å; F342-V344 HydrophobicContact CD1-CG2 4.39Å
343D91.5Very high89.8Confident67 Ų6734.4 Ų34.436%0.35818%0.18SC..EExtended strand (participates in β ladder)trans-133.999.2165.3-171.5-0.4000107.3I154 A155 F156I154-D343 PolarHBondContact O-N 3.01Å; A155-D343 VanDerWaalsContact CA-O 3.26Å; A155-D343 WeakPolarHBondContact CA-O 3.46Å; A155-D343 HydrophobicContact CB-CB 4.09Å; F156-D343 PolarHBondContact N-O 3.38Å
344V88.8Confident90.2Very high2 Ų222.3 Ų22.31%0.01214%0.138CC..EExtended strand (participates in β ladder)trans-111.2106.8-171.6-177.10000109.6F156 L308 Y310 D311 F342F156-V344 HydrophobicContact CD1-CG2 4.23Å; F156-V344 HydrophobicContact CE1-CG1 4.39Å; F156-V344 HydrophobicContact CE1-CG2 3.57Å; F156-V344 HydrophobicContact CE2-CG1 3.9Å; F156-V344 HydrophobicContact CZ-CB 4.44Å; F156-V344 HydrophobicContact CZ-CG1 3.8Å; F156-V344 HydrophobicContact CZ-CG2 3.76Å; F156-V344 CarbonylContact O-C 3.34Å; F156-V344 WeakPolarHBondContact O-CA 3.39Å; L308-V344 HydrophobicContact CD2-CB 4.04Å; L308-V344 HydrophobicContact CD2-CG2 3.35Å; Y310-V344 CarbonylContact C-O 3.5Å; Y310-V344 VanDerWaalsContact CA-O 3.31Å; Y310-V344 WeakPolarHBondContact CA-O 3.45Å; Y310-V344 HydrophobicContact CD1-CG1 3.85Å; Y310-V344 HydrophobicContact CE1-CG1 3.95Å; D311-V344 PolarHBondContact N-O 2.86Å; F342-V344 HydrophobicContact CB-CG2 4.35Å; F342-V344 HydrophobicContact CD1-CG2 4.39Å
345G86.7Confident90.3Very high11 Ų1118.3 Ų18.311%0.11312%0.123CC..EExtended strand (participates in β ladder)trans-81.7149.8173.700000112.1F156 N157 A158F156-G345 PolarHBondContact O-N 3.23Å; N157-G345 WeakPolarHBondContact CA-O 3.45Å; A158-G345 PolarHBondContact N-O 3.12Å
346A75.4Confident90.1Very high65 Ų6517.4 Ų17.454%0.53712%0.121SC..  trans-73.40173.600000112.7N157 S159 Y310N157-A346 VanDerWaalsContact CG-O 3.31Å; N157-A346 PolarHBondContact ND2-O 2.99Å; N157-A346 PolarHBondContact OD1-O 3.42Å; N157-A346 PolarHBondContact OD1-OXT 3.31Å; S159-A346 VanDerWaalsContact CB-OXT 3.28Å; S159-A346 WeakPolarHBondContact CB-OXT 3.29Å; S159-A346 PolarHBondContact N-OXT 2.94Å; S159-A346 PolarHBondContact OG-OXT 3.42Å; Y310-A346 HydrophobicContact CD1-CB 4.22Å; Y310-A346 HydrophobicContact CG-CB 4.26Å

Retrieved 346 of 346 residues in 176.3 ms (Link to these results)