A0A087XET7_POEFO Loading...

PIH1 domain-containing protein 1

Involved in the assembly of C/D box small nucleolar ribonucleoprotein (snoRNP) particles. Recruits the SWI/SNF complex to the core promoter of rRNA genes and enhances pre-rRNA transcription. Mediates interaction of TELO2 with the R2TP complex which is necessary for the stability of MTOR and SMG1. Positively regulates the assembly and activity of the mTORC1 complex.

AlphaFold DB , UniProt , Accession A0A087XET7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M34.8Very low29.9Very low224 Ų224157.6 Ų157.6100%1.10383%0.833SS**  01230-77.3172.4-92.500108.1
2L26.6Very low29.4Very low183 Ų183158.9 Ų158.996%0.95883%0.826SS**  trans-127.6103.8163.7-87156.7000103.1
3E27.9Very low29.1Very low177 Ų177157.8 Ų157.883%0.82782%0.819SS**  trans-87.2157.6-173.5-75.2-177.895.400112
4A34.8Very low28.6Very low100 Ų100154.9 Ų154.983%0.82681%0.812SS**  trans-72.3135.5169.700000110.9K6A4-K6 PolarHBondContact O-N 3.31Å
5E29.1Very low28.3Very low155 Ų155154.7 Ų154.772%0.72481%0.806SS**  trans-76.9113.9176.5-80.7-162.2115.600112.7V7E5-V7 HydrophobicContact CB-CG2 3.97Å
6K48.7Very low28.2Very low209 Ų209159 Ų15991%0.90981%0.808SS**  trans-69.2114.6139-71.1172178.1168.70107.2A4A4-K6 PolarHBondContact O-N 3.31Å
7V28.4Very low28.1Very low111 Ų111153.6 Ų153.667%0.67379%0.793SS**SBendtrans-87.6114.9-164.6-179.70000113.9E5E5-V7 HydrophobicContact CB-CG2 3.97Å
8V25.1Very low27.9Very low140 Ų140155.5 Ų155.585%0.84880%0.795SS**  trans-149.3137138.4-178.70000108.2
9A24.2Very low27.8Very low76 Ų76153 Ų15363%0.62879%0.791SS**  trans-109.5165.4-162.800000116.4
10T24.9Very low27.7Very low131 Ų131152.1 Ų152.180%0.80480%0.798SS**  trans-166.9126.9136.6130000115.3
11R24.4Very low27.6Very low228 Ų228152.7 Ų152.786%0.8680%0.801SS**  trans35.7141.9135.2-66.2178.6172.4177.9-2.1119.8
12K23.7Very low28Very low173 Ų173146.7 Ų146.775%0.75278%0.778SS**  cis-177.7150.532.7-142.2-173.6175.6-172.30113.9
13I25.1Very low28.1Very low144 Ų144144.6 Ų144.674%0.73877%0.768SS**  trans59.7172.4166.5-9179.5000114.6
14T22.3Very low28.3Very low117 Ų117142.5 Ų142.572%0.71876%0.763SS**  cis-151.5147.91.9-44.80000107
15Q24Very low28Very low153 Ų153142.9 Ų142.972%0.71575%0.75SS**  cis107.5118.120.5-144.1-152.843.400115.3
16R26.7Very low28Very low223 Ų223143 Ų14384%0.84275%0.748SS**  trans68.7160.4165.9-76.1179.3158.9172.6-6.3119.1
17A26.4Very low27Very low68 Ų68140.9 Ų140.956%0.56274%0.741SS**  cis-177.5178.6-28.400000111.3
18F25.6Very low27Very low187 Ų187141.9 Ų141.982%0.8275%0.747SS**  trans71.1124.2172.5-65.3-88000115.4
19C26Very low27.1Very low108 Ų108142.9 Ų142.973%0.7374%0.742SS**  83.7117.853.9-67.30000113.9
20C25.8Very low27.2Very low135 Ų135146.7 Ų146.791%0.91275%0.751SS**  trans-164130.2143.1-97.50000112.2
21L25.4Very low27.5Very low165 Ų165148.6 Ų148.686%0.86475%0.749SS**  trans-125.1174.5155-92170.9000104.5
22P43.8Very low27.7Very low97 Ų97145 Ų14563%0.6375%0.746SS**  cis-133.2-142.38.223.94.3000111.9
23D27.9Very low28.3Very low139 Ų139148.5 Ų148.574%0.74375%0.754SS**  trans86.2128.8158.6-53.9-9.4000116.4
24D31.6Very low28.8Very low134 Ų134149.1 Ų149.172%0.71776%0.756SS**  cis174.8169.2-9.9-134-2.6000104.1
25L29.3Very low29.8Very low107 Ų107149.6 Ų149.656%0.5676%0.759SS**  cis-171.9153.415.3-169.753.6000110.7
26K28.4Very low30.7Very low157 Ų157147.5 Ų147.568%0.68375%0.752SS**  trans65.7155.1161.6-76.1150.9-165.6163.80118.8
27H28.1Very low31.8Very low166 Ų166140.7 Ų140.777%0.76974%0.739SS**  cis-131.3174-3.1-86.1-64.9000108.5
28V27.8Very low33Very low131 Ų131140.7 Ų140.779%0.79474%0.735SS**  cis-141.2148.421.7178.20000109.6
29E27.9Very low34.2Very low161 Ų161137.1 Ų137.175%0.75272%0.724SS**  trans-102.3134.6167.3-175.6-157151.100110.4
30L26.6Very low35.3Very low156 Ų156137.6 Ų137.682%0.81772%0.718SS**  trans-161.8100.7149.8-114.5164.1000113.5
31K31.5Very low36.6Very low171 Ų171135.9 Ų135.974%0.74370%0.7SS**  trans18.3125154.5-66.2172.3178.4169.90119.7
32L27.5Very low38.1Very low154 Ų154130.9 Ų130.981%0.80668%0.679SS**  -149.9126.6116.2-113.4157.9000110.4M34L32-M34 HydrophobicContact CD2-CG 4.42Å
33R36.8Very low39Very low246 Ų246131.8 Ų131.893%0.92868%0.675SS**  trans-97.2114.6166.9-77.7-176.4177.9176-1.8107.9
34M35.1Very low40.7Very low156 Ų156129.8 Ų129.877%0.76866%0.664SS**  trans-133.8147.9154.6-69.5-166.1-68.400108L32L32-M34 HydrophobicContact CD2-CG 4.42Å
35T43.4Very low42.4Very low127 Ų127129.3 Ų129.378%0.77966%0.657SS**  trans-92.3107.5-176.246.40000109.7S37T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 3.19Å
36D43.7Very low44.2Very low109 Ų109129.2 Ų129.258%0.58366%0.657SS**  trans-76.584.1174.9-81.7-49.6000111.3S38 L39D36-S38 PolarHBondContact O-N 2.94Å; D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; D36-L39 PolarHBondContact O-N 2.93Å
37S48.3Very low46.2Very low81 Ų81127.2 Ų127.257%0.56665%0.65SS**Hα-helixtrans-60.2-9.4171-48.40000113.6T35T35-S37 VanDerWaalsContact C-N 3.34Å; T35-S37 PolarHBondContact O-N 3.19Å
38S52.7Low48.5Very low67 Ų67124.9 Ų124.947%0.46964%0.639SS.*Hα-helixtrans-72-45.3174.444.70000112.6D36 L40 N41 S42D36-S38 PolarHBondContact O-N 2.94Å; S38-L40 PolarHBondContact O-N 3.17Å; S38-N41 PolarHBondContact O-N 3.03Å; S38-S42 PolarHBondContact O-N 2.96Å
39L50.8Low50.5Low112 Ų112125.1 Ų125.159%0.58663%0.632SS**Hα-helixtrans-62.8-45.5-176.7-72.6169.4000111.5D36 N41 S42 E43D36-L39 HydrophobicContact CB-CD1 4.07Å; D36-L39 HydrophobicContact CB-CG 4.31Å; D36-L39 PolarHBondContact O-N 2.93Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 2.88Å; L39-S42 PolarHBondContact O-N 2.86Å; L39-S42 VanDerWaalsContact O-N 3.15Å; L39-E43 WeakPolarHBondContact O-CG 3.44Å; L39-E43 PolarHBondContact O-N 2.93Å
40L47.9Very low52.6Low118 Ų118123.5 Ų123.562%0.61862%0.624SS**Hα-helixtrans-58.2-35.1176.7-96.9162.1000113.1S38 L44S38-L40 PolarHBondContact O-N 3.17Å; L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.68Å
41N53.2Low55.3Low100 Ų100122.7 Ų122.754%0.53562%0.616SS.*Hα-helixtrans-70.3-45.2176.3-72.3-6000111S38 L39 E43 L44 E45S38-N41 PolarHBondContact O-N 3.03Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 2.88Å; N41-E43 VanDerWaalsContact C-N 3.35Å; N41-E43 PolarHBondContact O-N 2.78Å; N41-L44 WeakPolarHBondContact O-CB 3.04Å; N41-L44 PolarHBondContact O-N 2.98Å; N41-L44 VanDerWaalsContact O-N 3.14Å; N41-E45 WeakPolarHBondContact O-CG 3.47Å; N41-E45 PolarHBondContact O-N 3.16Å
42S57.4Low57.8Low60 Ų60120.1 Ų120.142%0.4261%0.61SS.*Hα-helixtrans-66-34.5178.9-620000113.1S38 L39 L44 E45 L46S38-S42 PolarHBondContact O-N 2.96Å; L39-S42 PolarHBondContact O-N 2.86Å; L39-S42 VanDerWaalsContact O-N 3.15Å; S42-L44 VanDerWaalsContact C-N 3.35Å; S42-E45 PolarHBondContact O-N 2.85Å; S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 VanDerWaalsContact O-CG 3.27Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.33Å
43E63.6Low60.1Low115 Ų115119.6 Ų119.654%0.53760%0.598SS.*Hα-helixtrans-63.7-40.1171-70.6177.8139.500111.6L39 N41 Q47L39-E43 WeakPolarHBondContact O-CG 3.44Å; L39-E43 PolarHBondContact O-N 2.93Å; N41-E43 VanDerWaalsContact C-N 3.35Å; N41-E43 PolarHBondContact O-N 2.78Å; E43-Q47 WeakPolarHBondContact O-CG 3.48Å; E43-Q47 PolarHBondContact O-N 3.07Å
44L62.8Low62.2Low97 Ų97113.7 Ų113.751%0.50858%0.581SS.*Hα-helixtrans-71.5-32.9177.9-147.276.3000113L40 N41 S42 Q48L40-L44 WeakPolarHBondContact O-CB 3.44Å; L40-L44 PolarHBondContact O-N 2.68Å; N41-L44 WeakPolarHBondContact O-CB 3.04Å; N41-L44 PolarHBondContact O-N 2.98Å; N41-L44 VanDerWaalsContact O-N 3.14Å; S42-L44 VanDerWaalsContact C-N 3.35Å; L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.37Å; L44-Q48 PolarHBondContact O-NE2 3.46Å
45E66.8Low64.4Low124 Ų124111.6 Ų111.658%0.57957%0.569SS**Hα-helixtrans-69.4-43.2173.5-74.2171.6163.400111.3N41 S42 Q48 Q49N41-E45 WeakPolarHBondContact O-CG 3.47Å; N41-E45 PolarHBondContact O-N 3.16Å; S42-E45 PolarHBondContact O-N 2.85Å; E45-Q48 PolarHBondContact O-N 3.37Å; E45-Q49 WeakPolarHBondContact O-CB 3.12Å; E45-Q49 PolarHBondContact O-N 2.92Å
46L68.3Low66.1Low105 Ų105110.7 Ų110.755%0.5556%0.558SS.*Hα-helixtrans-61.5-44.4174.7-74.9168.2000111.8S42 Q49 E50S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 VanDerWaalsContact O-CG 3.27Å; S42-L46 WeakPolarHBondContact O-CG 3.45Å; S42-L46 PolarHBondContact O-N 3.33Å; L46-Q49 PolarHBondContact O-N 2.97Å; L46-E50 PolarHBondContact O-N 2.87Å
47Q69Low67.7Low116 Ų116108.9 Ų108.954%0.54255%0.548SS..Hα-helixtrans-60.7-45.4176.5-75.1173.61.500112.3E43 Q49 E50 E51E43-Q47 WeakPolarHBondContact O-CG 3.48Å; E43-Q47 PolarHBondContact O-N 3.07Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.91Å; Q47-E50 PolarHBondContact O-N 3.3Å; Q47-E51 PolarHBondContact O-N 2.95Å
48Q77.8Confident69.1Low116 Ų116110.6 Ų110.654%0.54255%0.55SS..Hα-helixtrans-62.9-35.2174.9-76.5168.293.900112.5L44 E45 L52L44-Q48 WeakPolarHBondContact O-CG 3.49Å; L44-Q48 PolarHBondContact O-N 3.37Å; L44-Q48 PolarHBondContact O-NE2 3.46Å; E45-Q48 PolarHBondContact O-N 3.37Å; Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.32Å; Q48-L52 PolarHBondContact O-N 2.79Å
49Q69.7Low70.1Confident136 Ų136112.6 Ų112.664%0.63655%0.552SS**Hα-helixtrans-70.3-37.5176.3-164.3178.4-95.600112E45 L46 Q47 Y53E45-Q49 WeakPolarHBondContact O-CB 3.12Å; E45-Q49 PolarHBondContact O-N 2.92Å; L46-Q49 PolarHBondContact O-N 2.97Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.91Å; Q49-Y53 VanDerWaalsContact O-CB 3.27Å; Q49-Y53 WeakPolarHBondContact O-CB 3.2Å; Q49-Y53 PolarHBondContact O-N 2.91Å
50E72.7Confident70.8Confident128 Ų128110.4 Ų110.460%0.59854%0.543SS*.Hα-helixtrans-66.9-42.5172.5-73.5-169.9165.700112.2L46 Q47 Y53 Q54L46-E50 PolarHBondContact O-N 2.87Å; Q47-E50 PolarHBondContact O-N 3.3Å; E50-Y53 PolarHBondContact O-N 2.84Å; E50-Q54 WeakPolarHBondContact O-CB 3.34Å; E50-Q54 WeakPolarHBondContact O-CG 2.93Å; E50-Q54 PolarHBondContact O-N 2.92Å
51E81.4Confident71.5Confident139 Ų139109.9 Ų109.965%0.6554%0.539SS*.Hα-helixtrans-62-43.6174.1-74.6-169.5160.800111.9Q47 Y53 Q54 Q55Q47-E51 PolarHBondContact O-N 2.95Å; E51-Y53 VanDerWaalsContact C-N 3.34Å; E51-Y53 PolarHBondContact O-N 3.04Å; E51-Q54 PolarHBondContact O-N 3.49Å; E51-Q55 WeakPolarHBondContact O-CB 3.37Å; E51-Q55 PolarHBondContact O-N 2.98Å
52L84.5Confident71.6Confident117 Ų117106.8 Ų106.861%0.61353%0.531SS*.Hα-helixtrans-64.4-39.5176.1-17367.3000111.5Q48 Q55 M56Q48-L52 VanDerWaalsContact O-CB 3.31Å; Q48-L52 WeakPolarHBondContact O-CB 3.32Å; Q48-L52 PolarHBondContact O-N 2.79Å; L52-Q55 PolarHBondContact O-N 2.84Å; L52-M56 WeakPolarHBondContact O-CB 3.41Å; L52-M56 PolarHBondContact O-N 2.85Å
53Y76.6Confident71.4Confident143 Ų143111 Ų11156%0.56154%0.542SS*.Hα-helixtrans-66-44.5175.5-179-109000111.9Q49 E50 E51 Q55 M56 L57Q49-Y53 VanDerWaalsContact O-CB 3.27Å; Q49-Y53 WeakPolarHBondContact O-CB 3.2Å; Q49-Y53 PolarHBondContact O-N 2.91Å; E50-Y53 PolarHBondContact O-N 2.84Å; E51-Y53 VanDerWaalsContact C-N 3.34Å; E51-Y53 PolarHBondContact O-N 3.04Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.91Å; Y53-M56 HydrophobicContact CD2-CE 4.39Å; Y53-M56 PolarHBondContact O-N 3.42Å; Y53-L57 HydrophobicContact CD1-CD1 3.89Å; Y53-L57 HydrophobicContact CE1-CD1 3.48Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.48Å; Y53-L57 HydrophobicContact CE1-CG 4.21Å; Y53-L57 WeakPolarHBondContact O-CB 3Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.35Å
54Q79.7Confident70.8Confident121 Ų121111.6 Ų111.657%0.56555%0.548SS*.Hα-helixtrans-61.4-41.7172.3-74.6-169.926.700111.8E50 E51 L57 L58E50-Q54 WeakPolarHBondContact O-CB 3.34Å; E50-Q54 WeakPolarHBondContact O-CG 2.93Å; E50-Q54 PolarHBondContact O-N 2.92Å; E51-Q54 PolarHBondContact O-N 3.49Å; Q54-L57 PolarHBondContact O-N 2.84Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 VanDerWaalsContact O-CG 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.38Å; Q54-L58 PolarHBondContact O-N 2.68Å
55Q83.1Confident70Confident112 Ų112114.6 Ų114.652%0.52356%0.559SS.*Hα-helixtrans-65.3-39.6177.1-170.7176.3102.500111.6E51 L52 Y53 L58 Q59E51-Q55 WeakPolarHBondContact O-CB 3.37Å; E51-Q55 PolarHBondContact O-N 2.98Å; L52-Q55 PolarHBondContact O-N 2.84Å; Y53-Q55 VanDerWaalsContact C-N 3.35Å; Y53-Q55 PolarHBondContact O-N 2.91Å; Q55-L58 PolarHBondContact O-N 3.39Å; Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 2.71Å
56M77.4Confident68.8Low109 Ų109113 Ų11354%0.53756%0.562SS.*Hα-helixtrans-67-39.4174.5-166.7-174.573.400112.1L52 Y53 T60L52-M56 WeakPolarHBondContact O-CB 3.41Å; L52-M56 PolarHBondContact O-N 2.85Å; Y53-M56 HydrophobicContact CD2-CE 4.39Å; Y53-M56 PolarHBondContact O-N 3.42Å; M56-T60 WeakPolarHBondContact O-CB 3.37Å; M56-T60 PolarHBondContact O-N 3.23Å; M56-T60 PolarHBondContact O-OG1 2.82Å
57L78.3Confident67.7Low70 Ų70115.8 Ų115.837%0.36657%0.572SS.*Hα-helixtrans-60.7-48171.3-77.8173.7000111Y53 Q54 Q59 T60 M61Y53-L57 HydrophobicContact CD1-CD1 3.89Å; Y53-L57 HydrophobicContact CE1-CD1 3.48Å; Y53-L57 VanDerWaalsContact CE1-CD1 3.48Å; Y53-L57 HydrophobicContact CE1-CG 4.21Å; Y53-L57 WeakPolarHBondContact O-CB 3Å; Y53-L57 WeakPolarHBondContact O-CG 3.37Å; Y53-L57 PolarHBondContact O-N 3.35Å; Q54-L57 PolarHBondContact O-N 2.84Å; L57-Q59 PolarHBondContact O-N 2.83Å; L57-T60 CarbonylContact O-C 3.53Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 2.87Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 VanDerWaalsContact O-CG 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.47Å; L57-M61 PolarHBondContact O-N 2.85Å
58L77.9Confident66.7Low117 Ų117114.4 Ų114.461%0.61358%0.576SS**Hα-helixtrans-62.3-42178.5-75.1165.1000112.3Q54 Q55 T60 M61 G62Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 VanDerWaalsContact O-CG 3.28Å; Q54-L58 WeakPolarHBondContact O-CG 3.38Å; Q54-L58 PolarHBondContact O-N 2.68Å; Q55-L58 PolarHBondContact O-N 3.39Å; L58-T60 VanDerWaalsContact C-N 3.34Å; L58-M61 PolarHBondContact O-N 3.48Å; L58-G62 PolarHBondContact O-N 3.39Å
59Q73.5Confident65.3Low109 Ų109111.6 Ų111.651%0.50957%0.567SS.*Hα-helixtrans-64.6-36.9172.7-73.2-176.221.600112.3Q55 L57 K63Q55-Q59 WeakPolarHBondContact O-CB 3.23Å; Q55-Q59 WeakPolarHBondContact O-CG 3.43Å; Q55-Q59 PolarHBondContact O-N 2.71Å; L57-Q59 PolarHBondContact O-N 2.83Å; Q59-K63 WeakPolarHBondContact O-CG 3.43Å; Q59-K63 PolarHBondContact O-N 3.5Å
60T66.1Low64.6Low66 Ų66108.6 Ų108.641%0.40556%0.555SS.*Hα-helixtrans-68-44.9176.3-58.10000111.1M56 L57 L58 K63 L64M56-T60 WeakPolarHBondContact O-CB 3.37Å; M56-T60 PolarHBondContact O-N 3.23Å; M56-T60 PolarHBondContact O-OG1 2.82Å; L57-T60 CarbonylContact O-C 3.53Å; L57-T60 WeakPolarHBondContact O-CB 3.44Å; L57-T60 PolarHBondContact O-N 2.87Å; L57-T60 VanDerWaalsContact O-N 3.13Å; L58-T60 VanDerWaalsContact C-N 3.34Å; T60-K63 PolarHBondContact O-N 2.84Å; T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 VanDerWaalsContact O-CG 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.02Å
61M60.8Low63.9Low107 Ų107105.4 Ų105.453%0.52755%0.548SS..Hα-helixtrans-63.4-40.4174.6-69.3176.173.300111.8L57 L58 L64 Q65L57-M61 WeakPolarHBondContact O-CB 3.32Å; L57-M61 VanDerWaalsContact O-CG 3.32Å; L57-M61 WeakPolarHBondContact O-CG 3.47Å; L57-M61 PolarHBondContact O-N 2.85Å; L58-M61 PolarHBondContact O-N 3.48Å; M61-L64 PolarHBondContact O-N 2.74Å; M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 3.17Å
62G57.2Low63.3Low36 Ų36101.4 Ų101.437%0.37153%0.532SS..Hα-helixtrans-62.3-42.6174.100000112.9L58 Q65 S66L58-G62 PolarHBondContact O-N 3.39Å; G62-Q65 PolarHBondContact O-N 3.14Å; G62-S66 PolarHBondContact O-N 2.65Å
63K53Low63Low148 Ų148100.5 Ų100.564%0.64353%0.528SS*.Hα-helixtrans-65-41.7173.7-76.6176.3177.6176.10112.4Q59 T60 Q65 S66 E67Q59-K63 WeakPolarHBondContact O-CG 3.43Å; Q59-K63 PolarHBondContact O-N 3.5Å; T60-K63 PolarHBondContact O-N 2.84Å; K63-Q65 PolarHBondContact O-N 2.82Å; K63-S66 WeakPolarHBondContact CA-OG 3.34Å; K63-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-OG 2.85Å; K63-E67 PolarHBondContact O-N 2.84Å
64L50.6Low63.3Low128 Ų12894.3 Ų94.367%0.6750%0.504SS*.Hα-helixtrans-63.3-24.7174.1-73.1167.7000113.2T60 M61T60-L64 HydrophobicContact CG2-CD1 4.12Å; T60-L64 WeakPolarHBondContact O-CB 3.27Å; T60-L64 VanDerWaalsContact O-CG 3.28Å; T60-L64 WeakPolarHBondContact O-CG 3.39Å; T60-L64 PolarHBondContact O-N 3.02Å; M61-L64 PolarHBondContact O-N 2.74Å
65Q45.5Very low63.6Low159 Ų15996.8 Ų96.874%0.74351%0.508SS*.Hα-helixtrans-81.4-20.5172.2-73.8174.2-1.100113.4M61 G62 K63M61-Q65 WeakPolarHBondContact O-CG 3.45Å; M61-Q65 PolarHBondContact O-N 3.17Å; G62-Q65 PolarHBondContact O-N 3.14Å; K63-Q65 PolarHBondContact O-N 2.82Å
66S42.2Very low63.9Low91 Ų9191.7 Ų91.764%0.63649%0.485SS*.Hα-helixtrans-87.7-14.1178.358.70000115.3G62 K63G62-S66 PolarHBondContact O-N 2.65Å; K63-S66 WeakPolarHBondContact CA-OG 3.34Å; K63-S66 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-OG 2.85Å
67E44Very low64.7Low163 Ų16391.2 Ų91.276%0.76248%0.482SS*.  trans-117.873176.5-69.1-164.9160.600112.2K63 P69K63-E67 PolarHBondContact O-N 2.84Å; E67-P69 VanDerWaalsContact O-CD 3.28Å; E67-P69 WeakPolarHBondContact O-CD 3.4Å
68S47.9Very low65.5Low88 Ų8890.4 Ų90.462%0.61548%0.48SS*.  trans-76.5111.5162.155.70000109.8D70S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.12Å
69P50Low66.3Low56 Ų5685 Ų8536%0.36445%0.453SS..  trans-84.296.7-168.432.3-34000111.9E67 S71 R209E67-P69 VanDerWaalsContact O-CD 3.28Å; E67-P69 WeakPolarHBondContact O-CD 3.4Å; P69-S71 PolarHBondContact O-N 3.32Å; P69-R209 VanDerWaalsContact CG-NH1 3.35Å
70D54.9Low67.4Low73 Ų7380.1 Ų80.139%0.3943%0.43SS..  trans45.252.3173.5-57.7-41.9000114.2S68 T72 M210 K211S68-D70 PolarHBondContact O-N 2.91Å; S68-D70 VanDerWaalsContact O-N 3.12Å; D70-T72 PolarHBondContact O-N 3.44Å; D70-M210 HydrophobicContact CB-CB 4.15Å; D70-M210 PolarHBondContact O-N 2.64Å; D70-K211 VanDerWaalsContact OD2-CD 3.3Å; D70-K211 WeakPolarHBondContact OD2-CD 3.45Å; D70-K211 WeakPolarHBondContact OD2-CE 3.33Å; D70-K211 IonicContact OD2-NZ 3.15Å; D70-K211 PolarHBondContact OD2-NZ 2.93Å
71S58.1Low68.9Low62 Ų6277 Ų7743%0.43441%0.411SS..EExtended strand (participates in β ladder)trans-77.1104.8166.555.40000109.4P69 I208P69-S71 PolarHBondContact O-N 3.32Å; S71-I208 CarbonylContact C-O 3.53Å; S71-I208 WeakPolarHBondContact CA-O 3.4Å
72T68.4Low70.6Confident54 Ų5471.9 Ų71.933%0.33139%0.386SS..EExtended strand (participates in β ladder)trans-108.2127.3179.5-68.40000110.3D70 I74 I208 M210D70-T72 PolarHBondContact O-N 3.44Å; T72-I74 HydrophobicContact CG2-CG2 4.04Å; T72-I74 PolarHBondContact O-N 2.85Å; T72-I208 PolarHBondContact N-O 2.63Å; T72-I208 WeakPolarHBondContact O-CG1 3.46Å; T72-I208 PolarHBondContact O-N 2.99Å; T72-M210 HydrophobicContact CG2-SD 4.47Å; T72-M210 PolarHBondContact OG1-SD 2.83Å
73L77.9Confident72.5Confident98 Ų9872.8 Ų72.851%0.51338%0.379SS..EExtended strand (participates in β ladder)trans-69.2117.4169.4-169.381.6000109E205L73-E205 HydrophobicContact CD1-CB 3.89Å; L73-E205 HydrophobicContact CD2-CB 4.31Å; L73-E205 HydrophobicContact CG-CB 3.99Å
74I82.6Confident74.6Confident14 Ų1465.7 Ų65.77%0.07235%0.349CS..EExtended strand (participates in β ladder)trans-117.6150175.165159.2000111.2T72 P76 S100 V152 E205 Q206 I208T72-I74 HydrophobicContact CG2-CG2 4.04Å; T72-I74 PolarHBondContact O-N 2.85Å; I74-P76 HydrophobicContact CD1-CB 4.47Å; I74-S100 WeakPolarHBondContact CD1-OG 3.41Å; I74-V152 HydrophobicContact CD1-CG1 4.11Å; I74-E205 CarbonylContact O-C 3.55Å; I74-E205 WeakPolarHBondContact O-CA 3.48Å; I74-Q206 HydrophobicContact CG1-CB 4.48Å; I74-Q206 WeakPolarHBondContact CG1-O 3.41Å; I74-Q206 PolarHBondContact N-O 2.91Å; I74-Q206 PolarHBondContact O-N 2.92Å; I74-I208 HydrophobicContact CD1-CD1 3.69Å; I74-I208 HydrophobicContact CD1-CG1 4.12Å; I74-I208 HydrophobicContact CD1-CG2 4.06Å; I74-I208 HydrophobicContact CG1-CD1 4.11Å; I74-I208 HydrophobicContact CG1-CG1 4.01Å; I74-I208 HydrophobicContact CG1-CG2 4.07Å; I74-I208 HydrophobicContact CG2-CD1 4.02Å; I74-I208 HydrophobicContact CG2-CG1 4.01Å
75R86.1Confident76.7Confident173 Ų17363.2 Ų63.265%0.65333%0.333SS*.  trans-105.2102.5163.9-161.5172.6-171.5-159.42.4108.9V203 E205R75-V203 HydrophobicContact CG-CG1 4.11Å; R75-V203 PolarHBondContact NE-O 3.1Å; R75-V203 PolarHBondContact NH2-O 2.66Å; R75-E205 HydrophobicContact CB-CG 4.22Å; R75-E205 HydrophobicContact CG-CG 4.24Å
76P89.6Confident79Confident5 Ų556.7 Ų56.73%0.03231%0.305CS..PPolyproline II helixtrans-72.2152.7-173.932.6-37.1000111.3I74 C98 V152 V203I74-P76 HydrophobicContact CD1-CB 4.47Å; P76-C98 HydrophobicContact CB-CB 3.9Å; P76-C98 HydrophobicContact CG-CB 4.39Å; P76-V152 HydrophobicContact CB-CB 4.28Å; P76-V152 HydrophobicContact CB-CG1 3.67Å; P76-V152 HydrophobicContact CB-CG2 3.55Å; P76-V152 HydrophobicContact CG-CG2 3.75Å; P76-V203 HydrophobicContact CG-CG1 4.36Å; P76-V203 WeakPolarHBondContact O-CG1 3.42Å
77Q93.6Very high81.3Confident99 Ų9954.9 Ų54.946%0.46329%0.286SS..EExtended strand (participates in β ladder)trans-90.4129.3179.5-58.1175.214.800110.9G79 C98 Q99Q77-G79 PolarHBondContact O-N 2.79Å; Q77-C98 CarbonylContact O-C 3.6Å; Q77-C98 VanDerWaalsContact O-CA 3.27Å; Q77-C98 WeakPolarHBondContact O-CA 3.17Å; Q77-C98 VanDerWaalsContact O-CB 3.3Å; Q77-C98 WeakPolarHBondContact O-CB 3.19Å; Q77-Q99 HydrophobicContact CB-CG 3.74Å; Q77-Q99 PolarHBondContact N-O 3.43Å; Q77-Q99 PolarHBondContact O-N 3.47Å
78P95.9Very high83.1Confident52 Ų5252.2 Ų52.234%0.33828%0.283SS..EExtended strand (participates in β ladder)trans-54.3118.4174.1-34.940.8000115.2K198 F199 V203P78-K198 HydrophobicContact CB-CB 4.21Å; P78-F199 HydrophobicContact CB-CB 4.06Å; P78-F199 HydrophobicContact CB-CD2 4.47Å; P78-F199 HydrophobicContact CG-CB 4.15Å; P78-F199 HydrophobicContact CG-CD2 4.18Å; P78-F199 HydrophobicContact CG-CG 4.36Å; P78-V203 HydrophobicContact CG-CG2 3.56Å
79G94.9Very high84.6Confident3 Ų350.4 Ų50.43%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-96.5-76.2177.700000112.4Q77 I97 F158 K198Q77-G79 PolarHBondContact O-N 2.79Å; G79-I97 CarbonylContact C-O 3.57Å; G79-I97 WeakPolarHBondContact CA-O 3.48Å; G79-I97 PolarHBondContact N-O 2.61Å; G79-I97 VanDerWaalsContact N-O 3.14Å; G79-F158 VanDerWaalsContact C-CZ 3.45Å; G79-K198 WeakPolarHBondContact O-CD 3.39Å; G79-K198 WeakPolarHBondContact O-CG 3.42Å
80L96.2Very high86.5Confident7 Ų754.6 Ų54.64%0.03729%0.29CS..EExtended strand (participates in β ladder)trans-145.3154178.465.384.8000111V82 I97 F158 Q168 I172 V193 K198L80-V82 HydrophobicContact CD1-CG2 3.47Å; L80-V82 VanDerWaalsContact CD1-CG2 3.47Å; L80-I97 HydrophobicContact CD1-CB 4.07Å; L80-I97 HydrophobicContact CD1-CD1 4.07Å; L80-I97 HydrophobicContact CD1-CG1 4.15Å; L80-I97 HydrophobicContact CG-CB 4.18Å; L80-I97 PolarHBondContact N-O 2.78Å; L80-I97 PolarHBondContact O-N 2.85Å; L80-F158 HydrophobicContact CB-CZ 4.44Å; L80-F158 HydrophobicContact CD2-CE2 3.96Å; L80-F158 HydrophobicContact CD2-CZ 4.08Å; L80-F158 HydrophobicContact CG-CE2 4.06Å; L80-F158 HydrophobicContact CG-CZ 4.2Å; L80-Q168 HydrophobicContact CD2-CG 4.19Å; L80-I172 HydrophobicContact CD1-CG1 4.5Å; L80-V193 HydrophobicContact CB-CG1 4.38Å; L80-V193 HydrophobicContact CD1-CG1 4.32Å; L80-K198 CarbonylContact C-O 3.55Å
81C97Very high88.2Confident0 Ų057 Ų570%030%0.299CS..EExtended strand (participates in β ladder)trans-113.6123.2175.5-173.30000109.5I95 N96 L194 R197 K198C81-I95 WeakPolarHBondContact CA-O 3.49Å; C81-N96 PolarHBondContact SG-OD1 3.46Å; C81-L194 HydrophobicContact CB-CB 4.4Å; C81-L194 HydrophobicContact CB-CD1 4.06Å; C81-L194 HydrophobicContact CB-CG 4.39Å; C81-L194 PolarHBondContact O-N 2.88Å; C81-R197 WeakPolarHBondContact CB-O 3.35Å; C81-K198 PolarHBondContact N-O 2.91Å
82V97.5Very high89.9Confident0 Ų055.6 Ų55.60%029%0.285CS..EExtended strand (participates in β ladder)trans-97.3133.4174.7-171.20000108.4L80 F94 I95 I97 I172 W191L80-V82 HydrophobicContact CD1-CG2 3.47Å; L80-V82 VanDerWaalsContact CD1-CG2 3.47Å; V82-F94 CarbonylContact O-C 3.56Å; V82-F94 VanDerWaalsContact O-CA 3.27Å; V82-F94 WeakPolarHBondContact O-CA 3.35Å; V82-I95 HydrophobicContact CB-CB 4.24Å; V82-I95 PolarHBondContact N-O 2.74Å; V82-I95 PolarHBondContact O-N 2.94Å; V82-I97 HydrophobicContact CG2-CD1 4.2Å; V82-I97 HydrophobicContact CG2-CG1 4.49Å; V82-I172 HydrophobicContact CG1-CG2 4.07Å; V82-I172 HydrophobicContact CG2-CD1 4.08Å; V82-I172 HydrophobicContact CG2-CG1 3.89Å; V82-I172 HydrophobicContact CG2-CG2 4.01Å; V82-W191 HydrophobicContact CG1-CB 3.62Å; V82-W191 HydrophobicContact CG1-CG 3.93Å
83K96.6Very high91.3Very high55 Ų5553.3 Ų53.324%0.23927%0.271CS..EExtended strand (participates in β ladder)trans-103.4128.5167.2-179.3178.4178.3174.10109.8F94 W191 K192 L194K83-F94 HydrophobicContact CB-CD1 3.89Å; K83-F94 HydrophobicContact CB-CE1 3.71Å; K83-F94 HydrophobicContact CD-CE1 3.75Å; K83-F94 HydrophobicContact CD-CZ 3.85Å; K83-F94 HydrophobicContact CG-CD1 4.12Å; K83-F94 HydrophobicContact CG-CE1 3.65Å; K83-F94 HydrophobicContact CG-CZ 3.97Å; K83-W191 CarbonylContact O-C 3.55Å; K83-W191 WeakPolarHBondContact O-CA 3.4Å; K83-K192 PolarHBondContact N-O 2.83Å; K83-K192 PolarHBondContact O-N 3.47Å; K83-L194 HydrophobicContact CB-CD2 4.1Å
84T96.5Very high92.2Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-138.1-166.3168.3-1660000110.5V93 I95 L187 N188T84-V93 CarbonylContact C-O 3.55Å; T84-V93 HydrophobicContact CG2-CB 4.12Å; T84-V93 HydrophobicContact CG2-CG1 4.36Å; T84-V93 PolarHBondContact N-O 2.96Å; T84-V93 PolarHBondContact O-N 3.45Å; T84-I95 HydrophobicContact CG2-CD1 4.46Å; T84-L187 HydrophobicContact CG2-CB 4.49Å; T84-L187 HydrophobicContact CG2-CD2 4.41Å; T84-N188 PolarHBondContact OG1-O 3.14Å
85F95.3Very high92.9Very high76 Ų7648.4 Ų48.433%0.33325%0.245SC..EExtended strand (participates in β ladder)trans-131.3149.1175.2-58.7-92.8000109.9Q91 K92 N188F85-Q91 CarbonylContact C-O 3.6Å; F85-Q91 WeakPolarHBondContact CA-O 3.48Å; F85-K92 HydrophobicContact CD1-CG 4.22Å; F85-K92 HydrophobicContact CE1-CG 3.83Å; F85-N188 HydrophobicContact CB-CB 4.46Å; F85-N188 WeakPolarHBondContact O-CB 3.45Å; F85-N188 PolarHBondContact O-N 3.24Å
86S93.2Very high93.4Very high22 Ų2240.2 Ų40.215%0.15421%0.214CC..BIsolated β-bridgetrans-78.4146.5165.457.10000110.7K90 Q91 E186S86-K90 WeakPolarHBondContact O-CA 3.47Å; S86-K90 PolarHBondContact O-N 3.4Å; S86-Q91 PolarHBondContact N-O 2.87Å; S86-Q91 PolarHBondContact OG-N 3.18Å; S86-E186 WeakPolarHBondContact CA-O 3.34Å
87E90.6Very high93.8Very high52 Ų5240 Ų4024%0.24321%0.213CC..THydrogen-bonded Turntrans-108.9155167.7-63.7-63.4167.600109.7K90 E186 N188E87-K90 WeakPolarHBondContact OE2-CE 3.34Å; E87-K90 WeakPolarHBondContact OE2-CG 3.4Å; E87-E186 PolarHBondContact N-O 3.01Å; E87-N188 HydrophobicContact CG-CB 4.26Å; E87-N188 PolarHBondContact OE1-ND2 3.3Å
88P81.8Confident93.9Very high108 Ų10835.2 Ų35.270%0.70119%0.191SC*.THydrogen-bonded Turncis-75.7-0.8-13.634.6-36.7000113.2K90P88-K90 VanDerWaalsContact C-N 3.32Å; P88-K90 PolarHBondContact O-N 2.99Å
89G80.3Confident93.9Very high49 Ų4933.6 Ų33.651%0.50518%0.178SC..THydrogen-bonded Turntrans-73.3-14.2-168.900000116.3Q91G89-Q91 PolarHBondContact O-N 3.33Å
90K88.6Confident93.8Very high144 Ų14434 Ų3463%0.62618%0.181SC*.  trans5129-179.5-61.3-172.6178-176.70114.6S86 E87 P88S86-K90 WeakPolarHBondContact O-CA 3.47Å; S86-K90 PolarHBondContact O-N 3.4Å; E87-K90 WeakPolarHBondContact OE2-CE 3.34Å; E87-K90 WeakPolarHBondContact OE2-CG 3.4Å; P88-K90 VanDerWaalsContact C-N 3.32Å; P88-K90 PolarHBondContact O-N 2.99Å
91Q91.3Very high93.6Very high123 Ų12338.2 Ų38.258%0.57521%0.207SC*.  trans-77.1144.3175-56.5-177.4-0.200109.2F85 S86 G89 V93F85-Q91 CarbonylContact C-O 3.6Å; F85-Q91 WeakPolarHBondContact CA-O 3.48Å; S86-Q91 PolarHBondContact N-O 2.87Å; S86-Q91 PolarHBondContact OG-N 3.18Å; G89-Q91 PolarHBondContact O-N 3.33Å; Q91-V93 PolarHBondContact O-N 2.94Å
92K94.9Very high93.2Very high34 Ų3439.9 Ų39.915%0.14822%0.219CC..EExtended strand (participates in β ladder)trans-70.3124.9180-65.5166.7-170169.40109.4F85 F94 D140 C146 T147F85-K92 HydrophobicContact CD1-CG 4.22Å; F85-K92 HydrophobicContact CE1-CG 3.83Å; K92-F94 HydrophobicContact CB-CE2 4.15Å; K92-D140 WeakPolarHBondContact CD-OD2 3.32Å; K92-D140 WeakPolarHBondContact CE-OD2 3.46Å; K92-D140 IonicContact NZ-OD1 3.75Å; K92-D140 IonicContact NZ-OD2 2.68Å; K92-D140 PolarHBondContact NZ-OD2 2.96Å; K92-C146 HydrophobicContact CB-CB 3.75Å; K92-C146 WeakPolarHBondContact O-CB 3.5Å; K92-T147 PolarHBondContact O-N 2.79Å; K92-T147 VanDerWaalsContact O-N 3.16Å
93V96.3Very high92.8Very high6 Ų640.2 Ų40.24%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-117136.6174.7178.10000109T84 Q91 I95 T147 Y149 L187T84-V93 CarbonylContact C-O 3.55Å; T84-V93 HydrophobicContact CG2-CB 4.12Å; T84-V93 HydrophobicContact CG2-CG1 4.36Å; T84-V93 PolarHBondContact N-O 2.96Å; T84-V93 PolarHBondContact O-N 3.45Å; Q91-V93 PolarHBondContact O-N 2.94Å; V93-I95 HydrophobicContact CG1-CG1 4.41Å; V93-T147 CarbonylContact C-O 3.56Å; V93-T147 WeakPolarHBondContact CA-O 3.42Å; V93-Y149 HydrophobicContact CG1-CD2 3.79Å; V93-Y149 HydrophobicContact CG1-CE2 3.79Å; V93-L187 HydrophobicContact CB-CD2 4.25Å; V93-L187 HydrophobicContact CG1-CD2 4.09Å; V93-L187 HydrophobicContact CG2-CD2 4.01Å
94F97.2Very high92.4Very high8 Ų840.2 Ų40.24%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-118.4139.2173.2-65.9-94.6000109.9V82 K83 K92 D140 C146 T147 A148 Y149 L194 L200V82-F94 CarbonylContact O-C 3.56Å; V82-F94 VanDerWaalsContact O-CA 3.27Å; V82-F94 WeakPolarHBondContact O-CA 3.35Å; K83-F94 HydrophobicContact CB-CD1 3.89Å; K83-F94 HydrophobicContact CB-CE1 3.71Å; K83-F94 HydrophobicContact CD-CE1 3.75Å; K83-F94 HydrophobicContact CD-CZ 3.85Å; K83-F94 HydrophobicContact CG-CD1 4.12Å; K83-F94 HydrophobicContact CG-CE1 3.65Å; K83-F94 HydrophobicContact CG-CZ 3.97Å; K92-F94 HydrophobicContact CB-CE2 4.15Å; F94-D140 HydrophobicContact CZ-CB 4.45Å; F94-C146 HydrophobicContact CD2-CB 4.02Å; F94-C146 HydrophobicContact CE2-CB 3.81Å; F94-C146 VanDerWaalsContact CE2-SG 3.52Å; F94-T147 PolarHBondContact N-O 3.22Å; F94-A148 HydrophobicContact CB-CB 4.4Å; F94-A148 CarbonylContact O-C 3.55Å; F94-A148 VanDerWaalsContact O-CA 3.32Å; F94-A148 WeakPolarHBondContact O-CA 3.5Å; F94-Y149 PolarHBondContact O-N 3.2Å; F94-L194 HydrophobicContact CD1-CD1 4.19Å; F94-L194 HydrophobicContact CE1-CD1 4.02Å; F94-L200 HydrophobicContact CB-CB 4.39Å; F94-L200 HydrophobicContact CB-CD2 3.81Å; F94-L200 HydrophobicContact CD1-CD2 3.99Å; F94-L200 HydrophobicContact CD2-CD2 3.33Å; F94-L200 HydrophobicContact CE1-CD2 4.37Å; F94-L200 HydrophobicContact CE2-CD2 3.77Å; F94-L200 HydrophobicContact CG-CD2 3.44Å; F94-L200 VanDerWaalsContact CG-CD2 3.44Å; F94-L200 HydrophobicContact CZ-CD2 4.26Å
95I97.7Very high92.2Very high1 Ų144.2 Ų44.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-122.3110.9178.1-53.5169.3000107.2C81 V82 T84 V93 I97 Y149 V151 V176 L179 L187C81-I95 WeakPolarHBondContact CA-O 3.49Å; V82-I95 HydrophobicContact CB-CB 4.24Å; V82-I95 PolarHBondContact N-O 2.74Å; V82-I95 PolarHBondContact O-N 2.94Å; T84-I95 HydrophobicContact CG2-CD1 4.46Å; V93-I95 HydrophobicContact CG1-CG1 4.41Å; I95-I97 HydrophobicContact CG2-CG1 4.08Å; I95-I97 PolarHBondContact O-N 3.38Å; I95-Y149 WeakPolarHBondContact CA-O 3.2Å; I95-V151 HydrophobicContact CG2-CB 4.47Å; I95-V151 HydrophobicContact CG2-CG2 3.76Å; I95-V176 HydrophobicContact CD1-CG2 3.64Å; I95-L179 HydrophobicContact CB-CD1 4.47Å; I95-L179 HydrophobicContact CD1-CD1 3.91Å; I95-L179 HydrophobicContact CG1-CD1 3.82Å; I95-L179 HydrophobicContact CG2-CD1 3.87Å; I95-L187 HydrophobicContact CD1-CD1 4.31Å
96N97.4Very high91.9Very high0 Ų041.3 Ų41.30%024%0.241CC..EExtended strand (participates in β ladder)trans-87.299.6176.1-64-36.8000108.3C81 C98 Y149 D150 V151 F199 L200C81-N96 PolarHBondContact SG-OD1 3.46Å; N96-C98 PolarHBondContact O-N 3.44Å; N96-Y149 PolarHBondContact N-O 3.41Å; N96-D150 WeakPolarHBondContact CB-OD1 3.44Å; N96-D150 PolarHBondContact ND2-OD1 2.91Å; N96-V151 PolarHBondContact O-N 2.81Å; N96-F199 HydrophobicContact CB-CD2 3.58Å; N96-F199 HydrophobicContact CB-CE2 3.62Å; N96-F199 HydrophobicContact CB-CG 4.33Å; N96-F199 HydrophobicContact CB-CZ 4.38Å; N96-F199 WeakPolarHBondContact ND2-CZ 3.07Å; N96-F199 WeakPolarHBondContact OD1-CA 3.3Å; N96-L200 PolarHBondContact ND2-O 3.3Å; N96-L200 PolarHBondContact OD1-N 2.96Å
97I97.4Very high91.7Very high0 Ų044.3 Ų44.30%026%0.26CS..EExtended strand (participates in β ladder)trans-84.9112.5174.2-54-174.5000108G79 L80 V82 I95 V151 I153 F158 V171 I172G79-I97 CarbonylContact C-O 3.57Å; G79-I97 WeakPolarHBondContact CA-O 3.48Å; G79-I97 PolarHBondContact N-O 2.61Å; G79-I97 VanDerWaalsContact N-O 3.14Å; L80-I97 HydrophobicContact CD1-CB 4.07Å; L80-I97 HydrophobicContact CD1-CD1 4.07Å; L80-I97 HydrophobicContact CD1-CG1 4.15Å; L80-I97 HydrophobicContact CG-CB 4.18Å; L80-I97 PolarHBondContact N-O 2.78Å; L80-I97 PolarHBondContact O-N 2.85Å; V82-I97 HydrophobicContact CG2-CD1 4.2Å; V82-I97 HydrophobicContact CG2-CG1 4.49Å; I95-I97 HydrophobicContact CG2-CG1 4.08Å; I95-I97 PolarHBondContact O-N 3.38Å; I97-V151 WeakPolarHBondContact CA-O 3.27Å; I97-I153 HydrophobicContact CG2-CD1 4.1Å; I97-I153 HydrophobicContact CG2-CG1 4.48Å; I97-F158 HydrophobicContact CB-CE2 4.49Å; I97-F158 HydrophobicContact CG2-CD2 4.02Å; I97-F158 HydrophobicContact CG2-CE2 3.93Å; I97-V171 HydrophobicContact CD1-CG1 4.13Å; I97-V171 HydrophobicContact CG2-CG1 4.11Å; I97-I172 HydrophobicContact CD1-CB 4.45Å; I97-I172 HydrophobicContact CD1-CG1 3.89Å
98C95.9Very high91.6Very high0 Ų048.8 Ų48.80%029%0.286CS..EExtended strand (participates in β ladder)trans-116163.7-175.6-58.90000110.8P76 Q77 N96 V151 V152 I153P76-C98 HydrophobicContact CB-CB 3.9Å; P76-C98 HydrophobicContact CG-CB 4.39Å; Q77-C98 CarbonylContact O-C 3.6Å; Q77-C98 VanDerWaalsContact O-CA 3.27Å; Q77-C98 WeakPolarHBondContact O-CA 3.17Å; Q77-C98 VanDerWaalsContact O-CB 3.3Å; Q77-C98 WeakPolarHBondContact O-CB 3.19Å; N96-C98 PolarHBondContact O-N 3.44Å; C98-V151 PolarHBondContact N-O 2.92Å; C98-V152 HydrophobicContact CB-CG2 4.38Å; C98-V152 WeakPolarHBondContact O-CA 3.49Å; C98-I153 PolarHBondContact O-N 2.86Å
99Q95.4Very high91.8Very high17 Ų1744.3 Ų44.38%0.07926%0.256CS..EExtended strand (participates in β ladder)trans-119146.8-176.865.917815.700112.6Q77 I153 Q155 F158Q77-Q99 HydrophobicContact CB-CG 3.74Å; Q77-Q99 PolarHBondContact N-O 3.43Å; Q77-Q99 PolarHBondContact O-N 3.47Å; Q99-I153 WeakPolarHBondContact CA-O 3.39Å; Q99-Q155 HydrophobicContact CB-CB 4.39Å; Q99-Q155 HydrophobicContact CB-CG 4.42Å; Q99-Q155 HydrophobicContact CG-CG 4.34Å; Q99-F158 HydrophobicContact CB-CB 4.06Å; Q99-F158 HydrophobicContact CB-CD1 4.33Å; Q99-F158 HydrophobicContact CB-CG 4.17Å
100S93.6Very high92.3Very high11 Ų1144 Ų448%0.07725%0.245CC..EExtended strand (participates in β ladder)trans-149.7147.7169.2-177.10000111.4I74 S102 I153 N154 Q155I74-S100 WeakPolarHBondContact CD1-OG 3.41Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact OG-N 3.39Å; S100-S102 VanDerWaalsContact OG-N 3.14Å; S100-I153 PolarHBondContact N-O 3.13Å; S100-N154 CarbonylContact O-C 3.54Å; S100-N154 WeakPolarHBondContact O-CA 3.4Å; S100-Q155 PolarHBondContact O-N 3.22Å
101T91.8Very high92.3Very high97 Ų9743.1 Ų43.160%0.59524%0.238SC*.THydrogen-bonded Turntrans-76.4-17.317050.50000112.7V103 Q155T101-V103 VanDerWaalsContact C-N 3.33Å; T101-Q155 HydrophobicContact CG2-CB 4.11Å
102S88.1Confident92.2Very high34 Ų3443.1 Ų43.124%0.23824%0.238CC..THydrogen-bonded Turntrans-81.9-9.2-179.8-49.30000113.9S100S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact OG-N 3.39Å; S100-S102 VanDerWaalsContact OG-N 3.14Å
103V89.1Confident91.9Very high7 Ų745.9 Ų45.94%0.04225%0.252CS..SBendtrans-90.6125.9168.3178.30000107.5T101 P129 V152 N154 I208T101-V103 VanDerWaalsContact C-N 3.33Å; V103-P129 HydrophobicContact CG1-CB 4.26Å; V103-P129 WeakPolarHBondContact CG1-O 3.48Å; V103-V152 HydrophobicContact CG2-CG1 4.07Å; V103-N154 WeakPolarHBondContact O-CB 3.44Å; V103-N154 PolarHBondContact O-ND2 2.94Å; V103-I208 HydrophobicContact CG2-CD1 4.03Å
104P88.8Confident91.5Very high55 Ų5545.6 Ų45.636%0.35725%0.25SS..PPolyproline II helixtrans-64.5144.2-178.326-33.8000111.2P129P104-P129 HydrophobicContact CG-CB 3.94Å; P104-P129 HydrophobicContact CG-CG 4.27Å
105P91Very high91Very high85 Ų8547.8 Ų47.855%0.55226%0.264SS*.PPolyproline II helixtrans-64.6148.9174.728.6-34.3000110.9N154P105-N154 HydrophobicContact CB-CB 4.36Å
106P90.5Very high90.5Very high15 Ų1554 Ų5410%0.09729%0.293CS..PPolyproline II helixtrans-68.5169.2163.733.4-35.3000110.6Y126 F157P106-Y126 HydrophobicContact CB-CE1 4.27Å; P106-Y126 WeakPolarHBondContact CB-OH 3.3Å; P106-F157 HydrophobicContact CG-CB 4.23Å; P106-F157 HydrophobicContact CG-CD1 4.04Å; P106-F157 HydrophobicContact CG-CD2 3.5Å; P106-F157 VanDerWaalsContact CG-CD2 3.5Å; P106-F157 HydrophobicContact CG-CE1 4.27Å; P106-F157 HydrophobicContact CG-CE2 3.76Å; P106-F157 HydrophobicContact CG-CG 3.66Å; P106-F157 HydrophobicContact CG-CZ 4.14Å
107P88.7Confident89.9Confident84 Ų8455.3 Ų55.355%0.54530%0.3SS..PPolyproline II helixtrans-55.1149.5168.7-21.533.1000111.3L109 Y126P107-L109 PolarHBondContact O-N 2.93Å; P107-Y126 HydrophobicContact CB-CE2 4.08Å; P107-Y126 HydrophobicContact CG-CE2 4.37Å; P107-Y126 WeakPolarHBondContact O-CE2 3.47Å; P107-Y126 PolarHBondContact O-OH 3.41Å
108D87.5Confident89.1Confident146 Ų14659 Ų5978%0.78132%0.319SS*.PPolyproline II helixtrans-64.5139.8173.8-109-49.5000110.8K160D108-K160 IonicContact OD1-NZ 3.42Å; D108-K160 PolarHBondContact OD1-NZ 2.99Å
109L87.3Confident88.4Confident15 Ų1566.2 Ų66.28%0.07935%0.353CS..  trans-135.5127.6-177.4-169.871000107.5P107 E113 L114 L117 Y126 K160 F167 F170P107-L109 PolarHBondContact O-N 2.93Å; L109-E113 HydrophobicContact CD1-CB 3.56Å; L109-E113 HydrophobicContact CG-CB 4.26Å; L109-L114 HydrophobicContact CD2-CB 3.87Å; L109-L114 HydrophobicContact CD2-CD1 3.96Å; L109-L114 HydrophobicContact CD2-CG 4.44Å; L109-L114 HydrophobicContact CG-CB 4.29Å; L109-L117 HydrophobicContact CD2-CD1 4.3Å; L109-Y126 HydrophobicContact CB-CE2 3.86Å; L109-Y126 HydrophobicContact CD1-CD2 4.11Å; L109-Y126 HydrophobicContact CD1-CE2 4.07Å; L109-Y126 HydrophobicContact CD2-CD1 4.46Å; L109-Y126 HydrophobicContact CD2-CD2 4.49Å; L109-Y126 HydrophobicContact CD2-CE1 4.13Å; L109-Y126 HydrophobicContact CD2-CE2 4.19Å; L109-Y126 HydrophobicContact CG-CE2 4.27Å; L109-K160 WeakPolarHBondContact O-CE 3.3Å; L109-K160 PolarHBondContact O-NZ 2.9Å; L109-F167 HydrophobicContact CB-CE1 4.47Å; L109-F167 HydrophobicContact CD2-CE1 4.4Å; L109-F167 WeakPolarHBondContact O-CZ 3.43Å; L109-F170 HydrophobicContact CD2-CE1 4.39Å
110S90.3Very high87.5Confident41 Ų4167.8 Ų67.829%0.28737%0.366SS..  trans-74.2174.5171.466.40000111.5E112 E113 L114 F167S110-E112 VanDerWaalsContact C-N 3.31Å; S110-E113 WeakPolarHBondContact CB-OE2 3.24Å; S110-E113 PolarHBondContact N-OE2 2.69Å; S110-E113 WeakPolarHBondContact OG-CB 3.4Å; S110-E113 VanDerWaalsContact OG-CD 3.22Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 2.91Å; S110-E113 PolarHBondContact OG-OE2 2.83Å; S110-L114 WeakPolarHBondContact O-CB 3.28Å; S110-L114 PolarHBondContact O-N 3.26Å; S110-F167 WeakPolarHBondContact O-CZ 3.34Å
111R88.3Confident86Confident127 Ų12773.7 Ų73.748%0.47939%0.392SS..Hα-helixtrans-73.4-32.1175-179.8179.7170.8119.5-2.6110.7L114 V115 D164 L166 F167R111-L114 PolarHBondContact O-N 2.92Å; R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.19Å; R111-D164 IonicContact CZ-OD2 2.73Å; R111-D164 IonicContact NE-OD2 2.7Å; R111-D164 IonicContact NH1-OD1 3.34Å; R111-D164 PolarHBondContact NH1-OD1 2.9Å; R111-D164 IonicContact NH1-OD2 3.63Å; R111-D164 PolarHBondContact NH1-OD2 3.28Å; R111-L166 HydrophobicContact CG-CD2 4.16Å; R111-F167 HydrophobicContact CB-CE2 4.38Å
112E89.4Confident84.8Confident123 Ų12372 Ų7258%0.57538%0.379SS*.Hα-helixtrans-71.6-47.1-177.5-64.960.9-138.400110.4S110 L114 V115 Q116S110-E112 VanDerWaalsContact C-N 3.31Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.12Å; E112-V115 PolarHBondContact O-N 3.23Å; E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 2.67Å
113E88Confident83.9Confident92 Ų9273.1 Ų73.143%0.4339%0.386SS..Hα-helixtrans-64.2-36.1171.9-67.1158.2135.800111.6L109 S110 Q116 L117L109-E113 HydrophobicContact CD1-CB 3.56Å; L109-E113 HydrophobicContact CG-CB 4.26Å; S110-E113 WeakPolarHBondContact CB-OE2 3.24Å; S110-E113 PolarHBondContact N-OE2 2.69Å; S110-E113 WeakPolarHBondContact OG-CB 3.4Å; S110-E113 VanDerWaalsContact OG-CD 3.22Å; S110-E113 VanDerWaalsContact OG-CG 3.23Å; S110-E113 WeakPolarHBondContact OG-CG 3.49Å; S110-E113 PolarHBondContact OG-N 2.91Å; S110-E113 PolarHBondContact OG-OE2 2.83Å; E113-Q116 PolarHBondContact O-N 2.96Å; E113-L117 WeakPolarHBondContact O-CB 3.26Å; E113-L117 PolarHBondContact O-N 3Å
114L88.1Confident83.1Confident0 Ų074 Ų740%039%0.392CS..Hα-helixtrans-64.9-37.4174177.759.2000112.3L109 S110 R111 E112 L118 L166 F167 F170L109-L114 HydrophobicContact CD2-CB 3.87Å; L109-L114 HydrophobicContact CD2-CD1 3.96Å; L109-L114 HydrophobicContact CD2-CG 4.44Å; L109-L114 HydrophobicContact CG-CB 4.29Å; S110-L114 WeakPolarHBondContact O-CB 3.28Å; S110-L114 PolarHBondContact O-N 3.26Å; R111-L114 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.33Å; E112-L114 PolarHBondContact O-N 3.12Å; L114-L118 HydrophobicContact CD1-CD1 3.96Å; L114-L118 HydrophobicContact CD1-CG 4.04Å; L114-L118 HydrophobicContact CG-CD1 3.99Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.14Å; L114-L166 HydrophobicContact CD2-CD2 4.03Å; L114-L166 HydrophobicContact CD2-CG 3.88Å; L114-L166 HydrophobicContact CG-CD2 4.2Å; L114-L166 HydrophobicContact CG-CG 4.34Å; L114-F167 HydrophobicContact CB-CE2 4.5Å; L114-F167 HydrophobicContact CB-CZ 4.21Å; L114-F167 HydrophobicContact CD2-CB 4.47Å; L114-F167 HydrophobicContact CD2-CD1 3.82Å; L114-F167 HydrophobicContact CD2-CD2 3.65Å; L114-F167 HydrophobicContact CD2-CE1 3.84Å; L114-F167 HydrophobicContact CD2-CE2 3.67Å; L114-F167 HydrophobicContact CD2-CG 3.72Å; L114-F167 HydrophobicContact CD2-CZ 3.76Å; L114-F170 HydrophobicContact CD1-CB 3.93Å; L114-F170 HydrophobicContact CD1-CD1 3.78Å; L114-F170 HydrophobicContact CD1-CD2 3.61Å; L114-F170 HydrophobicContact CD1-CE1 4.14Å; L114-F170 HydrophobicContact CD1-CE2 3.98Å; L114-F170 HydrophobicContact CD1-CG 3.49Å; L114-F170 VanDerWaalsContact CD1-CG 3.49Å; L114-F170 HydrophobicContact CD1-CZ 4.23Å; L114-F170 HydrophobicContact CD2-CB 4.16Å; L114-F170 HydrophobicContact CD2-CD1 4.47Å; L114-F170 HydrophobicContact CD2-CG 4.4Å
115V87.6Confident82.3Confident53 Ų5375.2 Ų75.232%0.32142%0.415SS..Hα-helixtrans-65.2-42173.31700000110.8R111 E112 L118 Q119 L166R111-V115 WeakPolarHBondContact O-CG2 3.44Å; R111-V115 PolarHBondContact O-N 3.19Å; E112-V115 PolarHBondContact O-N 3.23Å; V115-L118 PolarHBondContact O-N 2.93Å; V115-Q119 WeakPolarHBondContact O-CB 3.34Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.14Å; V115-L166 HydrophobicContact CG2-CD2 3.71Å
116Q86.6Confident81.9Confident132 Ų13272.6 Ų72.662%0.61739%0.394SS*.Hα-helixtrans-62.4-44.2176.3-69.9173.4-5.600112E112 E113 Q119 S120E112-Q116 WeakPolarHBondContact O-CG 3.49Å; E112-Q116 PolarHBondContact O-N 2.67Å; E113-Q116 PolarHBondContact O-N 2.96Å; Q116-Q119 CarbonylContact O-C 3.43Å; Q116-Q119 PolarHBondContact O-N 3.36Å; Q116-S120 PolarHBondContact O-N 3.35Å
117L84.5Confident81.6Confident28 Ų2879.7 Ų79.715%0.14742%0.419CS..Hα-helixtrans-61.4-42.9175.6-176167.7000112L109 E113 Q119 S120 P123 Y126 F170L109-L117 HydrophobicContact CD2-CD1 4.3Å; E113-L117 WeakPolarHBondContact O-CB 3.26Å; E113-L117 PolarHBondContact O-N 3Å; L117-Q119 PolarHBondContact O-N 3.06Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 3.39Å; L117-P123 HydrophobicContact CD2-CB 4Å; L117-P123 HydrophobicContact CG-CB 4.4Å; L117-Y126 HydrophobicContact CD1-CD1 4.27Å; L117-Y126 HydrophobicContact CD1-CG 4.05Å; L117-F170 HydrophobicContact CD1-CE2 4.42Å; L117-F170 HydrophobicContact CD1-CZ 4.37Å; L117-F170 HydrophobicContact CD2-CE2 3.9Å
118L81.7Confident81.7Confident76 Ų7676.7 Ų76.740%0.39840%0.399SS..THydrogen-bonded Turntrans-71.1-4.6175.9-69.5170.7000113.5L114 V115 L166 F170 L173L114-L118 HydrophobicContact CD1-CD1 3.96Å; L114-L118 HydrophobicContact CD1-CG 4.04Å; L114-L118 HydrophobicContact CG-CD1 3.99Å; L114-L118 HydrophobicContact CG-CG 4.49Å; L114-L118 WeakPolarHBondContact O-CB 3.48Å; L114-L118 VanDerWaalsContact O-CG 3.25Å; L114-L118 WeakPolarHBondContact O-CG 3.46Å; L114-L118 PolarHBondContact O-N 3.14Å; V115-L118 PolarHBondContact O-N 2.93Å; L118-L166 HydrophobicContact CD1-CD1 3.77Å; L118-L166 HydrophobicContact CD1-CG 4.22Å; L118-F170 HydrophobicContact CD2-CD2 4.31Å; L118-L173 HydrophobicContact CD2-CD2 4.27Å
119Q80.7Confident81.8Confident153 Ų15371.9 Ų71.972%0.71538%0.376SS*.THydrogen-bonded Turntrans-117.9-3.4178.3-71.2179.5-20.500113.3V115 Q116 L117V115-Q119 WeakPolarHBondContact O-CB 3.34Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.5Å; V115-Q119 PolarHBondContact O-N 3.14Å; Q116-Q119 CarbonylContact O-C 3.43Å; Q116-Q119 PolarHBondContact O-N 3.36Å; L117-Q119 PolarHBondContact O-N 3.06Å
120S77.1Confident82.1Confident50 Ų5073.5 Ų73.535%0.3538%0.384SS..  trans-85.3144.5-176.862.60000112.6Q116 L117 D122Q116-S120 PolarHBondContact O-N 3.35Å; L117-S120 PolarHBondContact O-N 2.89Å; L117-S120 PolarHBondContact O-OG 3.39Å; S120-D122 VanDerWaalsContact C-N 3.25Å; S120-D122 WeakPolarHBondContact CB-O 3.33Å; S120-D122 PolarHBondContact O-N 2.96Å; S120-D122 PolarHBondContact OG-O 3.35Å
121E61.6Low82.2Confident135 Ų13572.7 Ų72.763%0.63138%0.378SS*.SBendtrans-60.2-38.3170.1-73.8-62.2139.700111.6P123 R287E121-P123 WeakPolarHBondContact O-CD 3.42Å; E121-R287 IonicContact OE1-NH2 2.78Å; E121-R287 PolarHBondContact OE1-NH2 3.4Å; E121-R287 IonicContact OE2-CZ 3.56Å; E121-R287 IonicContact OE2-NH2 2.61Å; E121-R287 PolarHBondContact OE2-NH2 3.34Å
122D66.3Low82.4Confident61 Ų6168 Ų6833%0.32636%0.362SS..  trans-109.3104.1168.9-179.523.1000111.5S120 S124 S289S120-D122 VanDerWaalsContact C-N 3.25Å; S120-D122 WeakPolarHBondContact CB-O 3.33Å; S120-D122 PolarHBondContact O-N 2.96Å; S120-D122 PolarHBondContact OG-O 3.35Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 VanDerWaalsContact CG-OG 3.32Å; D122-S124 WeakPolarHBondContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.37Å; D122-S124 PolarHBondContact OD1-OG 3.05Å; D122-S124 PolarHBondContact OD2-OG 3.32Å; D122-S124 VanDerWaalsContact OD2-OG 3.09Å; D122-S289 VanDerWaalsContact CG-OG 3.23Å; D122-S289 VanDerWaalsContact OD1-CB 3.31Å; D122-S289 WeakPolarHBondContact OD1-CB 3.25Å; D122-S289 PolarHBondContact OD1-OG 2.81Å
123P68.6Low82.4Confident57 Ų5762.6 Ų62.637%0.3734%0.339SS..  trans-88.96.4170.334.8-35.1000113L117 E121 G125L117-P123 HydrophobicContact CD2-CB 4Å; L117-P123 HydrophobicContact CG-CB 4.4Å; E121-P123 WeakPolarHBondContact O-CD 3.42Å; P123-G125 VanDerWaalsContact C-N 3.32Å; P123-G125 PolarHBondContact O-N 3.01Å
124S72.1Confident82.5Confident26 Ų2665.6 Ų65.618%0.18235%0.353CS..THydrogen-bonded Turntrans-73.9-17.5-16783.50000115D122 Y126 R127D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 VanDerWaalsContact CG-OG 3.32Å; D122-S124 WeakPolarHBondContact OD1-CA 3.3Å; D122-S124 WeakPolarHBondContact OD1-CB 3.46Å; D122-S124 PolarHBondContact OD1-N 3.37Å; D122-S124 PolarHBondContact OD1-OG 3.05Å; D122-S124 PolarHBondContact OD2-OG 3.32Å; D122-S124 VanDerWaalsContact OD2-OG 3.09Å; S124-Y126 PolarHBondContact O-N 3.35Å; S124-Y126 VanDerWaalsContact O-N 3.15Å; S124-R127 PolarHBondContact O-NE 3.27Å; S124-R127 PolarHBondContact O-NH1 3.33Å; S124-R127 VanDerWaalsContact O-NH1 3.08Å; S124-R127 PolarHBondContact O-NH2 2.97Å
125G72.3Confident82.8Confident80 Ų8068.7 Ų68.783%0.82537%0.373SS*.THydrogen-bonded Turntrans-62.9-17.7-177.800000115.6P123P123-G125 VanDerWaalsContact C-N 3.32Å; P123-G125 PolarHBondContact O-N 3.01Å
126Y82.3Confident83Confident31 Ų3168.3 Ų68.312%0.12237%0.368CS..  trans-111.3141.7176.9-168.2-98.1000111.7P106 P107 L109 L117 S124 V128 F170P106-Y126 HydrophobicContact CB-CE1 4.27Å; P106-Y126 WeakPolarHBondContact CB-OH 3.3Å; P107-Y126 HydrophobicContact CB-CE2 4.08Å; P107-Y126 HydrophobicContact CG-CE2 4.37Å; P107-Y126 WeakPolarHBondContact O-CE2 3.47Å; P107-Y126 PolarHBondContact O-OH 3.41Å; L109-Y126 HydrophobicContact CB-CE2 3.86Å; L109-Y126 HydrophobicContact CD1-CD2 4.11Å; L109-Y126 HydrophobicContact CD1-CE2 4.07Å; L109-Y126 HydrophobicContact CD2-CD1 4.46Å; L109-Y126 HydrophobicContact CD2-CD2 4.49Å; L109-Y126 HydrophobicContact CD2-CE1 4.13Å; L109-Y126 HydrophobicContact CD2-CE2 4.19Å; L109-Y126 HydrophobicContact CG-CE2 4.27Å; L117-Y126 HydrophobicContact CD1-CD1 4.27Å; L117-Y126 HydrophobicContact CD1-CG 4.05Å; S124-Y126 PolarHBondContact O-N 3.35Å; S124-Y126 VanDerWaalsContact O-N 3.15Å; Y126-V128 HydrophobicContact CD1-CG2 4.16Å; Y126-V128 HydrophobicContact CE1-CG2 3.68Å; Y126-F170 HydrophobicContact CD1-CE1 4.33Å; Y126-F170 AromaticContact CD1-CZ 3.84Å; Y126-F170 HydrophobicContact CD1-CZ 3.84Å; Y126-F170 AromaticContact CE1-CE1 3.94Å; Y126-F170 HydrophobicContact CE1-CE1 3.94Å; Y126-F170 AromaticContact CE1-CZ 3.94Å; Y126-F170 HydrophobicContact CE1-CZ 3.94Å
127R84.2Confident83.3Confident163 Ų16366.6 Ų66.662%0.61538%0.377SS*.  trans-133.4130.1-178-60-63.4-177.3-144.85.4110.8S124S124-R127 PolarHBondContact O-NE 3.27Å; S124-R127 PolarHBondContact O-NH1 3.33Å; S124-R127 VanDerWaalsContact O-NH1 3.08Å; S124-R127 PolarHBondContact O-NH2 2.97Å
128V90.8Very high83.7Confident22 Ų2267.6 Ų67.613%0.13338%0.38CS..  trans-100.7114.6174.9176.30000109.7Y126 M130 F157 F170 V174Y126-V128 HydrophobicContact CD1-CG2 4.16Å; Y126-V128 HydrophobicContact CE1-CG2 3.68Å; V128-M130 HydrophobicContact CB-CE 3.93Å; V128-M130 HydrophobicContact CG1-CE 3.82Å; V128-M130 PolarHBondContact O-N 3.32Å; V128-F157 HydrophobicContact CB-CE1 4.45Å; V128-F157 HydrophobicContact CG1-CD1 4.16Å; V128-F157 HydrophobicContact CG1-CE1 3.54Å; V128-F157 HydrophobicContact CG1-CZ 4.27Å; V128-F157 HydrophobicContact CG2-CE1 3.97Å; V128-F157 HydrophobicContact CG2-CZ 3.84Å; V128-F170 HydrophobicContact CG2-CE1 4.19Å; V128-F170 HydrophobicContact CG2-CZ 4.32Å; V128-V174 HydrophobicContact CB-CG2 4.33Å; V128-V174 HydrophobicContact CG1-CG2 4.49Å; V128-V174 HydrophobicContact CG2-CG2 4.23Å
129P90.8Very high84.1Confident45 Ų4568 Ų6829%0.29239%0.386SS..  trans-65.1126.3170.8-1932.3000110.7V103 P104V103-P129 HydrophobicContact CG1-CB 4.26Å; V103-P129 WeakPolarHBondContact CG1-O 3.48Å; P104-P129 HydrophobicContact CG-CB 3.94Å; P104-P129 HydrophobicContact CG-CG 4.27Å
130M93.6Very high84.2Confident49 Ų4961.4 Ų61.424%0.24136%0.356CS..EExtended strand (participates in β ladder)trans-149.6147.9177.566.5-175.677.100111.9V128 L132 V151 V152 I153 V174V128-M130 HydrophobicContact CB-CE 3.93Å; V128-M130 HydrophobicContact CG1-CE 3.82Å; V128-M130 PolarHBondContact O-N 3.32Å; M130-L132 HydrophobicContact CG-CD2 4.06Å; M130-L132 HydrophobicContact CG-CG 4.24Å; M130-L132 HydrophobicContact SD-CD2 3.73Å; M130-L132 HydrophobicContact SD-CG 4.44Å; M130-V151 HydrophobicContact CB-CG1 4.3Å; M130-V151 HydrophobicContact SD-CG1 4.01Å; M130-V152 CarbonylContact C-O 3.53Å; M130-V152 VanDerWaalsContact CA-O 3.28Å; M130-V152 WeakPolarHBondContact CA-O 3.41Å; M130-I153 HydrophobicContact CB-CG2 3.87Å; M130-V174 HydrophobicContact CE-CB 4.11Å; M130-V174 HydrophobicContact CE-CG2 3.8Å
131S91.8Very high84.5Confident24 Ų2465 Ų6517%0.16837%0.371CS..EExtended strand (participates in β ladder)trans-84.8140.2161.2-172.70000109.5V151 V152 Q206S131-V151 CarbonylContact O-C 3.58Å; S131-V151 WeakPolarHBondContact O-CA 3.38Å; S131-V152 PolarHBondContact N-O 3.32Å; S131-V152 PolarHBondContact O-N 2.98Å; S131-Q206 PolarHBondContact OG-OE1 2.95Å
132L93.2Very high85.5Confident29 Ų2964.1 Ų64.115%0.15237%0.371CS..EExtended strand (participates in β ladder)trans-119100.6175.2-63176.1000108M130 V151 G178 L179 K182M130-L132 HydrophobicContact CG-CD2 4.06Å; M130-L132 HydrophobicContact CG-CG 4.24Å; M130-L132 HydrophobicContact SD-CD2 3.73Å; M130-L132 HydrophobicContact SD-CG 4.44Å; L132-V151 HydrophobicContact CD2-CB 4.46Å; L132-V151 HydrophobicContact CD2-CG1 4.04Å; L132-V151 HydrophobicContact CD2-CG2 3.8Å; L132-G178 VanDerWaalsContact CD1-O 3.24Å; L132-G178 WeakPolarHBondContact CD1-O 3.48Å; L132-L179 HydrophobicContact CB-CD2 4.36Å; L132-L179 HydrophobicContact CD2-CD2 3.97Å; L132-L179 HydrophobicContact CD2-CG 4.16Å; L132-K182 HydrophobicContact CB-CD 3.63Å; L132-K182 HydrophobicContact CD1-CB 3.85Å; L132-K182 HydrophobicContact CD1-CD 3.89Å; L132-K182 HydrophobicContact CD1-CG 4.44Å; L132-K182 HydrophobicContact CG-CD 4.43Å; L132-K182 PolarHBondContact O-NZ 3.03Å
133G89.4Confident86.4Confident9 Ų966.4 Ų66.49%0.09339%0.391CS..PPolyproline II helixtrans-64.4162178.800000113.3D150 Y183G133-D150 WeakPolarHBondContact CA-O 3.42Å; G133-D150 PolarHBondContact N-O 3.3Å; G133-Y183 VanDerWaalsContact C-OH 3.25Å; G133-Y183 WeakPolarHBondContact O-CE2 3.28Å; G133-Y183 PolarHBondContact O-OH 2.85Å
134E89.6Confident87.2Confident155 Ų15568.3 Ų68.372%0.72440%0.395SS*.PPolyproline II helixtrans-70.9150.5176.3-66.4-173.216400111.8H136 Y183E134-H136 PolarHBondContact O-N 2.89Å; E134-Y183 WeakPolarHBondContact CA-OH 3.44Å; E134-Y183 PolarHBondContact N-OH 2.86Å
135P93.7Very high88.1Confident65 Ų6570.2 Ų70.242%0.42242%0.419SS..PPolyproline II helixtrans-61.6127.3174.122.8-31.8000111.1T147 A148 Y149P135-T147 HydrophobicContact CB-CG2 3.68Å; P135-A148 WeakPolarHBondContact CA-O 3.37Å; P135-Y149 HydrophobicContact CB-CD1 4.18Å; P135-Y149 HydrophobicContact CB-CE1 3.54Å; P135-Y149 HydrophobicContact CG-CE1 4.13Å
136H92.3Very high89.2Confident45 Ų4567 Ų6721%0.20838%0.383CS..EExtended strand (participates in β ladder)trans-116.1150.1169.454.4100.2000111.9E134 T147 A148 D150E134-H136 PolarHBondContact O-N 2.89Å; H136-T147 WeakPolarHBondContact O-CA 3.36Å; H136-A148 VanDerWaalsContact CE1-CB 3.44Å; H136-A148 WeakPolarHBondContact CE1-CB 3.47Å; H136-A148 PolarHBondContact N-O 2.86Å; H136-A148 PolarHBondContact O-N 2.86Å; H136-D150 IonicContact CD2-OD2 2.82Å; H136-D150 IonicContact CE1-OD1 2.68Å; H136-D150 IonicContact NE2-OD1 3.64Å; H136-D150 PolarHBondContact NE2-OD1 3.49Å; H136-D150 IonicContact NE2-OD2 3.48Å; H136-D150 PolarHBondContact NE2-OD2 3.06Å
137A93.3Very high89.8Confident96 Ų9667.2 Ų67.279%0.79339%0.388SS*.EExtended strand (participates in β ladder)trans-95.2117.4-175.100000110.1
138E93.3Very high90.4Very high48 Ų4859.5 Ų59.522%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-124.9165.5-171.5-86.1-63.8159.100112.1G145 C146 A148 L200 G201E138-G145 CarbonylContact O-C 3.58Å; E138-G145 WeakPolarHBondContact O-CA 3.45Å; E138-C146 VanDerWaalsContact C-SG 3.56Å; E138-C146 PolarHBondContact N-O 3.27Å; E138-C146 PolarHBondContact O-N 3.47Å; E138-C146 PolarHBondContact O-SG 3.43Å; E138-A148 HydrophobicContact CB-CB 4.33Å; E138-A148 HydrophobicContact CG-CB 4.09Å; E138-L200 HydrophobicContact CB-CD2 3.81Å; E138-L200 HydrophobicContact CB-CG 4Å; E138-L200 HydrophobicContact CG-CD2 4.46Å; E138-L200 HydrophobicContact CG-CG 4.19Å; E138-G201 WeakPolarHBondContact OE1-CA 3.38Å
139T90.4Very high90.6Very high84 Ų8459.2 Ų59.252%0.51536%0.356SS..EExtended strand (participates in β ladder)trans-114.6126.4-177.8-57.50000111.2
140D81.7Confident90.8Very high15 Ų1557.2 Ų57.28%0.0834%0.343CS..  trans-79.8170.9176.797.7-20.5000112.8K92 F94 N142 S143 Q144K92-D140 WeakPolarHBondContact CD-OD2 3.32Å; K92-D140 WeakPolarHBondContact CE-OD2 3.46Å; K92-D140 IonicContact NZ-OD1 3.75Å; K92-D140 IonicContact NZ-OD2 2.68Å; K92-D140 PolarHBondContact NZ-OD2 2.96Å; F94-D140 HydrophobicContact CZ-CB 4.45Å; D140-N142 PolarHBondContact O-N 2.75Å; D140-N142 WeakPolarHBondContact OD1-CA 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.26Å; D140-N142 PolarHBondContact OD1-N 2.82Å; D140-S143 PolarHBondContact O-N 2.88Å; D140-Q144 PolarHBondContact N-O 2.91Å; D140-Q144 PolarHBondContact OD1-N 2.82Å
141N83.1Confident91Very high125 Ų12554.9 Ų54.967%0.66833%0.331SS*.THydrogen-bonded Turntrans-62.3-10.2-176.3-67.33.9000114.4R197N141-R197 PolarHBondContact OD1-NH1 3.12Å; N141-R197 PolarHBondContact OD1-NH2 2.9Å
142N83.9Confident91.2Very high118 Ų11853.7 Ų53.763%0.63132%0.323SS*.THydrogen-bonded Turntrans-103.717.8176.7-63.718.2000111.5D140 Q144D140-N142 PolarHBondContact O-N 2.75Å; D140-N142 WeakPolarHBondContact OD1-CA 3.33Å; D140-N142 WeakPolarHBondContact OD1-CB 3.26Å; D140-N142 PolarHBondContact OD1-N 2.82Å; N142-Q144 HydrophobicContact CB-CG 4.43Å; N142-Q144 PolarHBondContact O-N 3.48Å
143S84Confident91.3Very high108 Ų10852.4 Ų52.476%0.75532%0.316SS*.SBendtrans59.727.7-176-55.30000114.3D140D140-S143 PolarHBondContact O-N 2.88Å
144Q86.4Confident91.6Very high98 Ų9852.2 Ų52.246%0.45831%0.313SS..  trans-100.7134.8177.6-61.4-179.89.300110.7D140 N142D140-Q144 PolarHBondContact N-O 2.91Å; D140-Q144 PolarHBondContact OD1-N 2.82Å; N142-Q144 HydrophobicContact CB-CG 4.43Å; N142-Q144 PolarHBondContact O-N 3.48Å
145G90.9Very high91.9Very high66 Ų6647.1 Ų47.168%0.6829%0.289SS*.EExtended strand (participates in β ladder)trans-61.6142.8174.400000112.2E138E138-G145 CarbonylContact O-C 3.58Å; E138-G145 WeakPolarHBondContact O-CA 3.45Å
146C94.6Very high91.9Very high11 Ų1149 Ų497%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-152163.7179.459.60000110.1K92 F94 E138K92-C146 HydrophobicContact CB-CB 3.75Å; K92-C146 WeakPolarHBondContact O-CB 3.5Å; F94-C146 HydrophobicContact CD2-CB 4.02Å; F94-C146 HydrophobicContact CE2-CB 3.81Å; F94-C146 VanDerWaalsContact CE2-SG 3.52Å; E138-C146 VanDerWaalsContact C-SG 3.56Å; E138-C146 PolarHBondContact N-O 3.27Å; E138-C146 PolarHBondContact O-N 3.47Å; E138-C146 PolarHBondContact O-SG 3.43Å
147T94.8Very high92Very high37 Ų3747.3 Ų47.323%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-103.4133.6177-48.70000109.9K92 V93 F94 P135 H136 Y149K92-T147 PolarHBondContact O-N 2.79Å; K92-T147 VanDerWaalsContact O-N 3.16Å; V93-T147 CarbonylContact C-O 3.56Å; V93-T147 WeakPolarHBondContact CA-O 3.42Å; F94-T147 PolarHBondContact N-O 3.22Å; P135-T147 HydrophobicContact CB-CG2 3.68Å; H136-T147 WeakPolarHBondContact O-CA 3.36Å; T147-Y149 HydrophobicContact CG2-CD2 4.28Å; T147-Y149 HydrophobicContact CG2-CE2 3.6Å
148A96.3Very high92.1Very high0 Ų042.9 Ų42.90%025%0.251CS..EExtended strand (participates in β ladder)trans-112.5146.8172.500000110.9F94 P135 H136 E138 L200F94-A148 HydrophobicContact CB-CB 4.4Å; F94-A148 CarbonylContact O-C 3.55Å; F94-A148 VanDerWaalsContact O-CA 3.32Å; F94-A148 WeakPolarHBondContact O-CA 3.5Å; P135-A148 WeakPolarHBondContact CA-O 3.37Å; H136-A148 VanDerWaalsContact CE1-CB 3.44Å; H136-A148 WeakPolarHBondContact CE1-CB 3.47Å; H136-A148 PolarHBondContact N-O 2.86Å; H136-A148 PolarHBondContact O-N 2.86Å; E138-A148 HydrophobicContact CB-CB 4.33Å; E138-A148 HydrophobicContact CG-CB 4.09Å; A148-L200 HydrophobicContact CB-CD2 4.46Å
149Y96.3Very high92.2Very high16 Ų1644.3 Ų44.36%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-130.6134.5176.3-65.6-91.3000109.9V93 F94 I95 N96 P135 T147 L179 Y183 L185V93-Y149 HydrophobicContact CG1-CD2 3.79Å; V93-Y149 HydrophobicContact CG1-CE2 3.79Å; F94-Y149 PolarHBondContact O-N 3.2Å; I95-Y149 WeakPolarHBondContact CA-O 3.2Å; N96-Y149 PolarHBondContact N-O 3.41Å; P135-Y149 HydrophobicContact CB-CD1 4.18Å; P135-Y149 HydrophobicContact CB-CE1 3.54Å; P135-Y149 HydrophobicContact CG-CE1 4.13Å; T147-Y149 HydrophobicContact CG2-CD2 4.28Å; T147-Y149 HydrophobicContact CG2-CE2 3.6Å; Y149-L179 HydrophobicContact CD1-CD1 4.49Å; Y149-L179 HydrophobicContact CD1-CD2 3.73Å; Y149-L179 HydrophobicContact CD2-CD1 4.4Å; Y149-L179 HydrophobicContact CG-CD1 3.96Å; Y149-L179 HydrophobicContact CG-CD2 4Å; Y149-Y183 HydrophobicContact CD1-CD2 4.11Å; Y149-Y183 AromaticContact CD1-CE2 3.91Å; Y149-Y183 HydrophobicContact CD1-CE2 3.91Å; Y149-Y183 AromaticContact CE1-CD2 3.71Å; Y149-Y183 HydrophobicContact CE1-CD2 3.71Å; Y149-Y183 AromaticContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CG 4.33Å; Y149-L185 HydrophobicContact CE1-CD1 4.18Å; Y149-L185 HydrophobicContact CE2-CD1 4.21Å; Y149-L185 WeakPolarHBondContact OH-CD1 3.35Å
150D95.6Very high92.2Very high3 Ų343.2 Ų43.22%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-104.8102.8-177.2-65.1-16.4000111N96 G133 H136 F199 S204 Q206N96-D150 WeakPolarHBondContact CB-OD1 3.44Å; N96-D150 PolarHBondContact ND2-OD1 2.91Å; G133-D150 WeakPolarHBondContact CA-O 3.42Å; G133-D150 PolarHBondContact N-O 3.3Å; H136-D150 IonicContact CD2-OD2 2.82Å; H136-D150 IonicContact CE1-OD1 2.68Å; H136-D150 IonicContact NE2-OD1 3.64Å; H136-D150 PolarHBondContact NE2-OD1 3.49Å; H136-D150 IonicContact NE2-OD2 3.48Å; H136-D150 PolarHBondContact NE2-OD2 3.06Å; D150-F199 WeakPolarHBondContact OD1-CE2 3.04Å; D150-F199 VanDerWaalsContact OD1-CZ 3.23Å; D150-F199 WeakPolarHBondContact OD1-CZ 3.35Å; D150-F199 WeakPolarHBondContact OD2-CZ 3.43Å; D150-S204 PolarHBondContact OD2-OG 3.29Å; D150-Q206 PolarHBondContact O-NE2 2.8Å
151V96.3Very high92.7Very high0 Ų042.5 Ų42.50%024%0.242CC..EExtended strand (participates in β ladder)trans-96.6124.9178.3179.80000109I95 N96 I97 C98 M130 S131 L132 I153 L179I95-V151 HydrophobicContact CG2-CB 4.47Å; I95-V151 HydrophobicContact CG2-CG2 3.76Å; N96-V151 PolarHBondContact O-N 2.81Å; I97-V151 WeakPolarHBondContact CA-O 3.27Å; C98-V151 PolarHBondContact N-O 2.92Å; M130-V151 HydrophobicContact CB-CG1 4.3Å; M130-V151 HydrophobicContact SD-CG1 4.01Å; S131-V151 CarbonylContact O-C 3.58Å; S131-V151 WeakPolarHBondContact O-CA 3.38Å; L132-V151 HydrophobicContact CD2-CB 4.46Å; L132-V151 HydrophobicContact CD2-CG1 4.04Å; L132-V151 HydrophobicContact CD2-CG2 3.8Å; V151-I153 HydrophobicContact CG1-CG2 4.13Å; V151-L179 HydrophobicContact CG2-CD1 3.91Å; V151-L179 HydrophobicContact CG2-CD2 4.25Å; V151-L179 HydrophobicContact CG2-CG 4.1Å
152V95.6Very high93.1Very high0 Ų040.3 Ų40.30%023%0.227CC..EExtended strand (participates in β ladder)trans-113.8119.5179.2-167.80000110.1I74 P76 C98 V103 M130 S131I74-V152 HydrophobicContact CD1-CG1 4.11Å; P76-V152 HydrophobicContact CB-CB 4.28Å; P76-V152 HydrophobicContact CB-CG1 3.67Å; P76-V152 HydrophobicContact CB-CG2 3.55Å; P76-V152 HydrophobicContact CG-CG2 3.75Å; C98-V152 HydrophobicContact CB-CG2 4.38Å; C98-V152 WeakPolarHBondContact O-CA 3.49Å; V103-V152 HydrophobicContact CG2-CG1 4.07Å; M130-V152 CarbonylContact C-O 3.53Å; M130-V152 VanDerWaalsContact CA-O 3.28Å; M130-V152 WeakPolarHBondContact CA-O 3.41Å; S131-V152 PolarHBondContact N-O 3.32Å; S131-V152 PolarHBondContact O-N 2.98Å
153I95.9Very high93.5Very high1 Ų142.8 Ų42.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-112.8170.1176.774.3-178000111.1I97 C98 Q99 S100 M130 V151 F157 F158 V171I97-I153 HydrophobicContact CG2-CD1 4.1Å; I97-I153 HydrophobicContact CG2-CG1 4.48Å; C98-I153 PolarHBondContact O-N 2.86Å; Q99-I153 WeakPolarHBondContact CA-O 3.39Å; S100-I153 PolarHBondContact N-O 3.13Å; M130-I153 HydrophobicContact CB-CG2 3.87Å; V151-I153 HydrophobicContact CG1-CG2 4.13Å; I153-F157 HydrophobicContact CD1-CD1 3.88Å; I153-F157 HydrophobicContact CD1-CE1 4.27Å; I153-F157 HydrophobicContact CG1-CD1 4.47Å; I153-F158 HydrophobicContact CD1-CB 3.98Å; I153-F158 HydrophobicContact CD1-CD2 3.88Å; I153-F158 HydrophobicContact CD1-CG 4.44Å; I153-F158 HydrophobicContact CG1-CB 4Å; I153-F158 HydrophobicContact CG1-CD2 4.26Å; I153-V171 HydrophobicContact CD1-CG1 3.59Å; I153-V171 HydrophobicContact CD1-CG2 4.29Å
154N95.6Very high93.9Very high5 Ų539 Ų393%0.02720%0.204CC..EExtended strand (participates in β ladder)trans-58.4140173.7173.1-93.6000112.3S100 V103 P105 D156 F157 F158S100-N154 CarbonylContact O-C 3.54Å; S100-N154 WeakPolarHBondContact O-CA 3.4Å; V103-N154 WeakPolarHBondContact O-CB 3.44Å; V103-N154 PolarHBondContact O-ND2 2.94Å; P105-N154 HydrophobicContact CB-CB 4.36Å; N154-D156 PolarHBondContact OD1-N 3.36Å; N154-F157 HydrophobicContact CB-CB 4.16Å; N154-F157 PolarHBondContact OD1-N 3.38Å; N154-F157 VanDerWaalsContact OD1-N 3.1Å; N154-F158 PolarHBondContact O-N 2.9Å
155Q95.6Very high94.2Very high48 Ų4839.2 Ų39.222%0.22421%0.214CC..Hα-helixtrans-59.9-49.6-177.2-173.1179.9-86.700114.2Q99 S100 T101 F157 F158 Q159Q99-Q155 HydrophobicContact CB-CB 4.39Å; Q99-Q155 HydrophobicContact CB-CG 4.42Å; Q99-Q155 HydrophobicContact CG-CG 4.34Å; S100-Q155 PolarHBondContact O-N 3.22Å; T101-Q155 HydrophobicContact CG2-CB 4.11Å; Q155-F157 VanDerWaalsContact C-N 3.32Å; Q155-F157 PolarHBondContact O-N 3Å; Q155-F158 WeakPolarHBondContact O-CB 3.42Å; Q155-F158 PolarHBondContact O-N 2.97Å; Q155-F158 VanDerWaalsContact O-N 3.16Å; Q155-Q159 WeakPolarHBondContact O-CG 3.5Å; Q155-Q159 PolarHBondContact O-N 3.31Å
156D94.6Very high94.1Very high104 Ų10438.3 Ų38.356%0.55619%0.193SC*.Hα-helixtrans-72.3-32.9-172.9-54.3-56.4000111.1N154 Q159 K160N154-D156 PolarHBondContact OD1-N 3.36Å; D156-Q159 PolarHBondContact O-N 3.01Å; D156-K160 PolarHBondContact O-N 3.16Å
157F94.6Very high94.1Very high10 Ų1038.1 Ų38.14%0.04419%0.191CC..Hα-helixtrans-62.7-41.6168.6-175.5-118.3000112.7P106 V128 I153 N154 Q155 K160 S161 F170 V171P106-F157 HydrophobicContact CG-CB 4.23Å; P106-F157 HydrophobicContact CG-CD1 4.04Å; P106-F157 HydrophobicContact CG-CD2 3.5Å; P106-F157 VanDerWaalsContact CG-CD2 3.5Å; P106-F157 HydrophobicContact CG-CE1 4.27Å; P106-F157 HydrophobicContact CG-CE2 3.76Å; P106-F157 HydrophobicContact CG-CG 3.66Å; P106-F157 HydrophobicContact CG-CZ 4.14Å; V128-F157 HydrophobicContact CB-CE1 4.45Å; V128-F157 HydrophobicContact CG1-CD1 4.16Å; V128-F157 HydrophobicContact CG1-CE1 3.54Å; V128-F157 HydrophobicContact CG1-CZ 4.27Å; V128-F157 HydrophobicContact CG2-CE1 3.97Å; V128-F157 HydrophobicContact CG2-CZ 3.84Å; I153-F157 HydrophobicContact CD1-CD1 3.88Å; I153-F157 HydrophobicContact CD1-CE1 4.27Å; I153-F157 HydrophobicContact CG1-CD1 4.47Å; N154-F157 HydrophobicContact CB-CB 4.16Å; N154-F157 PolarHBondContact OD1-N 3.38Å; N154-F157 VanDerWaalsContact OD1-N 3.1Å; Q155-F157 VanDerWaalsContact C-N 3.32Å; Q155-F157 PolarHBondContact O-N 3Å; F157-K160 WeakPolarHBondContact O-CB 3.39Å; F157-K160 PolarHBondContact O-N 3.1Å; F157-S161 PolarHBondContact O-N 2.96Å; F157-F170 HydrophobicContact CZ-CD1 4.35Å; F157-F170 HydrophobicContact CZ-CE1 4.09Å; F157-V171 HydrophobicContact CD1-CG2 4.3Å; F157-V171 HydrophobicContact CE1-CG2 3.54Å; F157-V171 HydrophobicContact CZ-CG2 3.73Å
158F95.8Very high94Very high4 Ų438.8 Ų38.82%0.01819%0.192CC..Hα-helixtrans-64.8-39.1171.9-173.6-90.5000112.4G79 L80 I97 Q99 I153 N154 Q155 K160 S161 Q162G79-F158 VanDerWaalsContact C-CZ 3.45Å; L80-F158 HydrophobicContact CB-CZ 4.44Å; L80-F158 HydrophobicContact CD2-CE2 3.96Å; L80-F158 HydrophobicContact CD2-CZ 4.08Å; L80-F158 HydrophobicContact CG-CE2 4.06Å; L80-F158 HydrophobicContact CG-CZ 4.2Å; I97-F158 HydrophobicContact CB-CE2 4.49Å; I97-F158 HydrophobicContact CG2-CD2 4.02Å; I97-F158 HydrophobicContact CG2-CE2 3.93Å; Q99-F158 HydrophobicContact CB-CB 4.06Å; Q99-F158 HydrophobicContact CB-CD1 4.33Å; Q99-F158 HydrophobicContact CB-CG 4.17Å; I153-F158 HydrophobicContact CD1-CB 3.98Å; I153-F158 HydrophobicContact CD1-CD2 3.88Å; I153-F158 HydrophobicContact CD1-CG 4.44Å; I153-F158 HydrophobicContact CG1-CB 4Å; I153-F158 HydrophobicContact CG1-CD2 4.26Å; N154-F158 PolarHBondContact O-N 2.9Å; Q155-F158 WeakPolarHBondContact O-CB 3.42Å; Q155-F158 PolarHBondContact O-N 2.97Å; Q155-F158 VanDerWaalsContact O-N 3.16Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 2.91Å; F158-S161 PolarHBondContact O-N 2.95Å; F158-S161 PolarHBondContact O-OG 3.03Å; F158-Q162 HydrophobicContact CD1-CG 3.94Å; F158-Q162 HydrophobicContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-NE2 3.35Å; F158-Q162 HydrophobicContact CZ-CG 3.87Å; F158-Q162 WeakPolarHBondContact O-CG 3.4Å; F158-Q162 PolarHBondContact O-N 3.07Å
159Q94.5Very high93.9Very high77 Ų7743.4 Ų43.436%0.3621%0.213SC..Hα-helixtrans-70-22.4175.8-64.9-58.7-4300113Q155 D156 K163Q155-Q159 WeakPolarHBondContact O-CG 3.5Å; Q155-Q159 PolarHBondContact O-N 3.31Å; D156-Q159 PolarHBondContact O-N 3.01Å; Q159-K163 WeakPolarHBondContact O-CD 3.37Å; Q159-K163 VanDerWaalsContact O-CE 3.3Å; Q159-K163 WeakPolarHBondContact O-CE 3.36Å; Q159-K163 WeakPolarHBondContact O-CG 3.31Å
160K91.1Very high93.8Very high62 Ų6243 Ų4327%0.2721%0.212SC..Hα-helixtrans-71.9-47.6168.2-169.3173.8-178.5177.90110.4D108 L109 D156 F157 F158 Q162 K163 F167D108-K160 IonicContact OD1-NZ 3.42Å; D108-K160 PolarHBondContact OD1-NZ 2.99Å; L109-K160 WeakPolarHBondContact O-CE 3.3Å; L109-K160 PolarHBondContact O-NZ 2.9Å; D156-K160 PolarHBondContact O-N 3.16Å; F157-K160 WeakPolarHBondContact O-CB 3.39Å; F157-K160 PolarHBondContact O-N 3.1Å; F158-K160 VanDerWaalsContact C-N 3.27Å; F158-K160 PolarHBondContact O-N 2.91Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-Q162 PolarHBondContact O-N 3.25Å; K160-K163 PolarHBondContact O-N 3.46Å; K160-K163 VanDerWaalsContact O-N 3.07Å; K160-F167 HydrophobicContact CD-CE1 4.42Å
161S92.3Very high93.7Very high0 Ų043 Ų430%021%0.211CC..Hα-helixtrans-67.3-25.6-179.673.90000114.4F157 F158 K163 Q168F157-S161 PolarHBondContact O-N 2.96Å; F158-S161 PolarHBondContact O-N 2.95Å; F158-S161 PolarHBondContact O-OG 3.03Å; S161-K163 PolarHBondContact O-N 3.06Å; S161-Q168 WeakPolarHBondContact O-CB 3.43Å
162Q91.3Very high93.7Very high78 Ų7843 Ų4336%0.36421%0.212SC..THydrogen-bonded Turntrans-73.6-8172.9-67.7-73.839.200114.5F158 K160F158-Q162 HydrophobicContact CD1-CG 3.94Å; F158-Q162 HydrophobicContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-CG 3.47Å; F158-Q162 VanDerWaalsContact CE1-NE2 3.35Å; F158-Q162 HydrophobicContact CZ-CG 3.87Å; F158-Q162 WeakPolarHBondContact O-CG 3.4Å; F158-Q162 PolarHBondContact O-N 3.07Å; K160-Q162 VanDerWaalsContact C-N 3.3Å; K160-Q162 PolarHBondContact O-N 3.25Å
163K91.6Very high93.6Very high171 Ų17145 Ų4574%0.74322%0.222SC*.THydrogen-bonded Turntrans-101.8-26.7179.5-65.1169-172.3169.90113.5Q159 K160 S161Q159-K163 WeakPolarHBondContact O-CD 3.37Å; Q159-K163 VanDerWaalsContact O-CE 3.3Å; Q159-K163 WeakPolarHBondContact O-CE 3.36Å; Q159-K163 WeakPolarHBondContact O-CG 3.31Å; K160-K163 PolarHBondContact O-N 3.46Å; K160-K163 VanDerWaalsContact O-N 3.07Å; S161-K163 PolarHBondContact O-N 3.06Å
164D92.5Very high93.5Very high28 Ų2846.1 Ų46.115%0.1523%0.229CC..  trans-125.4117.1179.6-168.6-26.4000110.5R111 L166 F167 Q168R111-D164 IonicContact CZ-OD2 2.73Å; R111-D164 IonicContact NE-OD2 2.7Å; R111-D164 IonicContact NH1-OD1 3.34Å; R111-D164 PolarHBondContact NH1-OD1 2.9Å; R111-D164 IonicContact NH1-OD2 3.63Å; R111-D164 PolarHBondContact NH1-OD2 3.28Å; D164-L166 PolarHBondContact O-N 3.12Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 3.04Å; D164-F167 HydrophobicContact CB-CB 4.34Å; D164-F167 HydrophobicContact CB-CD2 4.03Å; D164-F167 PolarHBondContact O-N 3.05Å; D164-Q168 PolarHBondContact O-N 3.39Å
165P91.9Very high93.5Very high103 Ų10345.9 Ų45.967%0.66923%0.228SC*.Hα-helixtrans-54.6-28.2177-27.235.8000114.7Q168 Q169P165-Q168 PolarHBondContact O-N 2.95Å; P165-Q169 WeakPolarHBondContact O-CB 3.5Å; P165-Q169 PolarHBondContact O-N 2.91Å
166L90.8Very high93.5Very high46 Ų4643.7 Ų43.724%0.24122%0.217CC..Hα-helixtrans-67.7-45.3176.3-171.768.3000110.9R111 L114 V115 L118 D164 Q168 Q169 F170R111-L166 HydrophobicContact CG-CD2 4.16Å; L114-L166 HydrophobicContact CD2-CD2 4.03Å; L114-L166 HydrophobicContact CD2-CG 3.88Å; L114-L166 HydrophobicContact CG-CD2 4.2Å; L114-L166 HydrophobicContact CG-CG 4.34Å; V115-L166 HydrophobicContact CG2-CD2 3.71Å; L118-L166 HydrophobicContact CD1-CD1 3.77Å; L118-L166 HydrophobicContact CD1-CG 4.22Å; D164-L166 PolarHBondContact O-N 3.12Å; D164-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 WeakPolarHBondContact OD1-CB 3.44Å; D164-L166 PolarHBondContact OD1-N 3.04Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; L166-Q169 PolarHBondContact O-N 3.31Å; L166-F170 WeakPolarHBondContact O-CB 3.28Å; L166-F170 PolarHBondContact O-N 2.83Å
167F92.7Very high93.4Very high7 Ų742.2 Ų42.23%0.03121%0.207CC..Hα-helixtrans-66.8-33.3173.1-82.9-91.3000111.9L109 S110 R111 L114 K160 D164 V171L109-F167 HydrophobicContact CB-CE1 4.47Å; L109-F167 HydrophobicContact CD2-CE1 4.4Å; L109-F167 WeakPolarHBondContact O-CZ 3.43Å; S110-F167 WeakPolarHBondContact O-CZ 3.34Å; R111-F167 HydrophobicContact CB-CE2 4.38Å; L114-F167 HydrophobicContact CB-CE2 4.5Å; L114-F167 HydrophobicContact CB-CZ 4.21Å; L114-F167 HydrophobicContact CD2-CB 4.47Å; L114-F167 HydrophobicContact CD2-CD1 3.82Å; L114-F167 HydrophobicContact CD2-CD2 3.65Å; L114-F167 HydrophobicContact CD2-CE1 3.84Å; L114-F167 HydrophobicContact CD2-CE2 3.67Å; L114-F167 HydrophobicContact CD2-CG 3.72Å; L114-F167 HydrophobicContact CD2-CZ 3.76Å; K160-F167 HydrophobicContact CD-CE1 4.42Å; D164-F167 HydrophobicContact CB-CB 4.34Å; D164-F167 HydrophobicContact CB-CD2 4.03Å; D164-F167 PolarHBondContact O-N 3.05Å; F167-V171 WeakPolarHBondContact O-CB 3.39Å; F167-V171 VanDerWaalsContact O-CG2 3.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 2.83Å
168Q94.1Very high93.3Very high52 Ų5242.5 Ų42.524%0.24321%0.213CC..Hα-helixtrans-61.3-47.9172.6-166.8175.789.800111.4L80 S161 D164 P165 L166 V171 I172L80-Q168 HydrophobicContact CD2-CG 4.19Å; S161-Q168 WeakPolarHBondContact O-CB 3.43Å; D164-Q168 PolarHBondContact O-N 3.39Å; P165-Q168 PolarHBondContact O-N 2.95Å; L166-Q168 VanDerWaalsContact C-N 3.33Å; Q168-V171 PolarHBondContact O-N 3.26Å; Q168-I172 HydrophobicContact CG-CD1 4.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.48Å; Q168-I172 PolarHBondContact O-N 3.4Å
169Q93.3Very high93.2Very high97 Ų9742.3 Ų42.345%0.45321%0.212SC..Hα-helixtrans-65-40.7179.4-171.569.9-8.900111.6P165 L166 I172 L173 W191P165-Q169 WeakPolarHBondContact O-CB 3.5Å; P165-Q169 PolarHBondContact O-N 2.91Å; L166-Q169 PolarHBondContact O-N 3.31Å; Q169-I172 PolarHBondContact O-N 2.83Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.86Å; Q169-W191 VanDerWaalsContact CD-CZ2 3.47Å; Q169-W191 HydrophobicContact CG-CZ2 4.34Å; Q169-W191 VanDerWaalsContact NE2-CZ2 3.26Å
170F93.6Very high93.1Very high7 Ų739.9 Ų39.93%0.03120%0.201CC..Hα-helixtrans-60.7-47.8173.4174.6-117.6000112.6L109 L114 L117 L118 Y126 V128 F157 L166 I172 L173 V174L109-F170 HydrophobicContact CD2-CE1 4.39Å; L114-F170 HydrophobicContact CD1-CB 3.93Å; L114-F170 HydrophobicContact CD1-CD1 3.78Å; L114-F170 HydrophobicContact CD1-CD2 3.61Å; L114-F170 HydrophobicContact CD1-CE1 4.14Å; L114-F170 HydrophobicContact CD1-CE2 3.98Å; L114-F170 HydrophobicContact CD1-CG 3.49Å; L114-F170 VanDerWaalsContact CD1-CG 3.49Å; L114-F170 HydrophobicContact CD1-CZ 4.23Å; L114-F170 HydrophobicContact CD2-CB 4.16Å; L114-F170 HydrophobicContact CD2-CD1 4.47Å; L114-F170 HydrophobicContact CD2-CG 4.4Å; L117-F170 HydrophobicContact CD1-CE2 4.42Å; L117-F170 HydrophobicContact CD1-CZ 4.37Å; L117-F170 HydrophobicContact CD2-CE2 3.9Å; L118-F170 HydrophobicContact CD2-CD2 4.31Å; Y126-F170 HydrophobicContact CD1-CE1 4.33Å; Y126-F170 AromaticContact CD1-CZ 3.84Å; Y126-F170 HydrophobicContact CD1-CZ 3.84Å; Y126-F170 AromaticContact CE1-CE1 3.94Å; Y126-F170 HydrophobicContact CE1-CE1 3.94Å; Y126-F170 AromaticContact CE1-CZ 3.94Å; Y126-F170 HydrophobicContact CE1-CZ 3.94Å; V128-F170 HydrophobicContact CG2-CE1 4.19Å; V128-F170 HydrophobicContact CG2-CZ 4.32Å; F157-F170 HydrophobicContact CZ-CD1 4.35Å; F157-F170 HydrophobicContact CZ-CE1 4.09Å; L166-F170 WeakPolarHBondContact O-CB 3.28Å; L166-F170 PolarHBondContact O-N 2.83Å; F170-I172 VanDerWaalsContact C-N 3.28Å; F170-I172 PolarHBondContact O-N 3.32Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.31Å; F170-L173 VanDerWaalsContact O-N 3.14Å; F170-V174 HydrophobicContact CD2-CG1 4.07Å; F170-V174 HydrophobicContact CE2-CG1 3.61Å; F170-V174 HydrophobicContact CZ-CG1 3.94Å; F170-V174 WeakPolarHBondContact O-CG2 3.49Å; F170-V174 PolarHBondContact O-N 3.49Å
171V94.9Very high93.1Very high2 Ų242.8 Ų42.81%0.01222%0.219CC..Hα-helixtrans-59.3-38.7176.9162.80000111.9I97 I153 F157 F167 Q168 V174 S175I97-V171 HydrophobicContact CD1-CG1 4.13Å; I97-V171 HydrophobicContact CG2-CG1 4.11Å; I153-V171 HydrophobicContact CD1-CG1 3.59Å; I153-V171 HydrophobicContact CD1-CG2 4.29Å; F157-V171 HydrophobicContact CD1-CG2 4.3Å; F157-V171 HydrophobicContact CE1-CG2 3.54Å; F157-V171 HydrophobicContact CZ-CG2 3.73Å; F167-V171 WeakPolarHBondContact O-CB 3.39Å; F167-V171 VanDerWaalsContact O-CG2 3.31Å; F167-V171 WeakPolarHBondContact O-CG2 3.46Å; F167-V171 PolarHBondContact O-N 2.83Å; Q168-V171 PolarHBondContact O-N 3.26Å; V171-V174 WeakPolarHBondContact O-CG2 3.4Å; V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.87Å; V171-S175 PolarHBondContact O-OG 3.5Å
172I95.9Very high93Very high1 Ų147.8 Ų47.81%0.00524%0.241CC..Hα-helixtrans-68-45175.1-63.2164.6000110.6L80 V82 I97 Q168 Q169 F170 S175 V176 W191 V193L80-I172 HydrophobicContact CD1-CG1 4.5Å; V82-I172 HydrophobicContact CG1-CG2 4.07Å; V82-I172 HydrophobicContact CG2-CD1 4.08Å; V82-I172 HydrophobicContact CG2-CG1 3.89Å; V82-I172 HydrophobicContact CG2-CG2 4.01Å; I97-I172 HydrophobicContact CD1-CB 4.45Å; I97-I172 HydrophobicContact CD1-CG1 3.89Å; Q168-I172 HydrophobicContact CG-CD1 4.21Å; Q168-I172 VanDerWaalsContact O-CG1 3.3Å; Q168-I172 WeakPolarHBondContact O-CG1 3.48Å; Q168-I172 PolarHBondContact O-N 3.4Å; Q169-I172 PolarHBondContact O-N 2.83Å; F170-I172 VanDerWaalsContact C-N 3.28Å; F170-I172 PolarHBondContact O-N 3.32Å; I172-S175 WeakPolarHBondContact O-CB 3.32Å; I172-S175 PolarHBondContact O-N 3.38Å; I172-V176 HydrophobicContact CG2-CG2 4.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 2.79Å; I172-W191 HydrophobicContact CB-CZ2 4.05Å; I172-W191 HydrophobicContact CG2-CD2 3.71Å; I172-W191 HydrophobicContact CG2-CE3 4.22Å; I172-W191 HydrophobicContact CG2-CG 4.11Å; I172-W191 HydrophobicContact CG2-CH2 4.19Å; I172-W191 HydrophobicContact CG2-CZ2 3.65Å; I172-W191 HydrophobicContact CG2-CZ3 4.45Å; I172-V193 HydrophobicContact CD1-CG2 3.57Å
173L93.6Very high92.9Very high43 Ų4346.9 Ų46.923%0.22524%0.235CC..Hα-helixtrans-57.4-53.4179.9-178.863.3000112L118 Q169 F170 S175 V176 E177 W191L118-L173 HydrophobicContact CD2-CD2 4.27Å; Q169-L173 WeakPolarHBondContact O-CB 3.33Å; Q169-L173 PolarHBondContact O-N 2.86Å; F170-L173 WeakPolarHBondContact O-CB 3.32Å; F170-L173 PolarHBondContact O-N 3.31Å; F170-L173 VanDerWaalsContact O-N 3.14Å; L173-S175 PolarHBondContact O-N 3.38Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.12Å; L173-E177 HydrophobicContact CD1-CG 4.39Å; L173-E177 VanDerWaalsContact CD1-OE1 3.26Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 WeakPolarHBondContact CG-OE1 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.44Å; L173-E177 PolarHBondContact O-N 3.48Å; L173-W191 HydrophobicContact CB-CH2 4.01Å; L173-W191 HydrophobicContact CD1-CH2 3.91Å; L173-W191 HydrophobicContact CD1-CZ3 4.42Å
174V93.9Very high92.8Very high23 Ų2344.2 Ų44.214%0.13924%0.238CC..Hα-helixtrans-65.6-26.6179.3-58.90000112.8V128 M130 F170 V171 G178V128-V174 HydrophobicContact CB-CG2 4.33Å; V128-V174 HydrophobicContact CG1-CG2 4.49Å; V128-V174 HydrophobicContact CG2-CG2 4.23Å; M130-V174 HydrophobicContact CE-CB 4.11Å; M130-V174 HydrophobicContact CE-CG2 3.8Å; F170-V174 HydrophobicContact CD2-CG1 4.07Å; F170-V174 HydrophobicContact CE2-CG1 3.61Å; F170-V174 HydrophobicContact CZ-CG1 3.94Å; F170-V174 WeakPolarHBondContact O-CG2 3.49Å; F170-V174 PolarHBondContact O-N 3.49Å; V171-V174 WeakPolarHBondContact O-CG2 3.4Å; V174-G178 PolarHBondContact O-N 2.72Å
175S96.3Very high92.7Very high1 Ų145.1 Ų45.11%0.00724%0.242CC..Hα-helixtrans-73-37.9174-59.90000112V171 I172 L173 L179V171-S175 WeakPolarHBondContact O-CB 3.48Å; V171-S175 PolarHBondContact O-N 2.87Å; V171-S175 PolarHBondContact O-OG 3.5Å; I172-S175 WeakPolarHBondContact O-CB 3.32Å; I172-S175 PolarHBondContact O-N 3.38Å; L173-S175 PolarHBondContact O-N 3.38Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.88Å
176V94.9Very high92.7Very high1 Ų142.8 Ų42.81%0.00622%0.223CC..Hα-helixtrans-65.3-51.8174168.70000109.8I95 I172 L173 G178 L179 E180 L187 W191I95-V176 HydrophobicContact CD1-CG2 3.64Å; I172-V176 HydrophobicContact CG2-CG2 4.24Å; I172-V176 WeakPolarHBondContact O-CG2 3.28Å; I172-V176 PolarHBondContact O-N 2.79Å; L173-V176 WeakPolarHBondContact O-CB 3.45Å; L173-V176 PolarHBondContact O-N 3.13Å; L173-V176 VanDerWaalsContact O-N 3.12Å; V176-G178 VanDerWaalsContact C-N 3.33Å; V176-G178 PolarHBondContact O-N 2.91Å; V176-L179 PolarHBondContact O-N 2.86Å; V176-L179 VanDerWaalsContact O-N 3.13Å; V176-E180 HydrophobicContact CG1-CG 4.44Å; V176-E180 WeakPolarHBondContact O-CG 3.48Å; V176-E180 PolarHBondContact O-N 3.32Å; V176-L187 HydrophobicContact CG1-CB 3.85Å; V176-L187 HydrophobicContact CG1-CD1 4.1Å; V176-W191 HydrophobicContact CB-CZ3 4.49Å; V176-W191 HydrophobicContact CG2-CE3 4.12Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å
177E92.1Very high92.8Very high74 Ų7441 Ų4135%0.34621%0.213SC..Hα-helixtrans-61.9-38.4178.9-69.3169.6-179.200112.3L173 L179 E180 N181 R189L173-E177 HydrophobicContact CD1-CG 4.39Å; L173-E177 VanDerWaalsContact CD1-OE1 3.26Å; L173-E177 WeakPolarHBondContact CD1-OE1 3.36Å; L173-E177 WeakPolarHBondContact CG-OE1 3.42Å; L173-E177 WeakPolarHBondContact O-CG 3.44Å; L173-E177 PolarHBondContact O-N 3.48Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.46Å; E177-E180 PolarHBondContact O-N 2.98Å; E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.23Å; E177-R189 IonicContact OE1-NH1 3.17Å
178G92.6Very high92.7Very high16 Ų1642.7 Ų42.717%0.16522%0.222CC..Hα-helixtrans-59.5-43.4173.700000112.5L132 V174 V176 K182L132-G178 VanDerWaalsContact CD1-O 3.24Å; L132-G178 WeakPolarHBondContact CD1-O 3.48Å; V174-G178 PolarHBondContact O-N 2.72Å; V176-G178 VanDerWaalsContact C-N 3.33Å; V176-G178 PolarHBondContact O-N 2.91Å; G178-K182 VanDerWaalsContact O-CB 3.3Å; G178-K182 WeakPolarHBondContact O-CB 3.46Å; G178-K182 PolarHBondContact O-N 2.9Å
179L94.3Very high92.6Very high0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-70.4-40.9177.5-70.8172.8000112.7I95 L132 Y149 V151 S175 V176 E177 K182 Y183 L187I95-L179 HydrophobicContact CB-CD1 4.47Å; I95-L179 HydrophobicContact CD1-CD1 3.91Å; I95-L179 HydrophobicContact CG1-CD1 3.82Å; I95-L179 HydrophobicContact CG2-CD1 3.87Å; L132-L179 HydrophobicContact CB-CD2 4.36Å; L132-L179 HydrophobicContact CD2-CD2 3.97Å; L132-L179 HydrophobicContact CD2-CG 4.16Å; Y149-L179 HydrophobicContact CD1-CD1 4.49Å; Y149-L179 HydrophobicContact CD1-CD2 3.73Å; Y149-L179 HydrophobicContact CD2-CD1 4.4Å; Y149-L179 HydrophobicContact CG-CD1 3.96Å; Y149-L179 HydrophobicContact CG-CD2 4Å; V151-L179 HydrophobicContact CG2-CD1 3.91Å; V151-L179 HydrophobicContact CG2-CD2 4.25Å; V151-L179 HydrophobicContact CG2-CG 4.1Å; S175-L179 WeakPolarHBondContact O-CG 3.37Å; S175-L179 PolarHBondContact O-N 2.88Å; V176-L179 PolarHBondContact O-N 2.86Å; V176-L179 VanDerWaalsContact O-N 3.13Å; E177-L179 VanDerWaalsContact C-N 3.34Å; E177-L179 PolarHBondContact O-N 3.46Å; L179-K182 PolarHBondContact O-N 3.44Å; L179-Y183 HydrophobicContact CD2-CD2 3.94Å; L179-Y183 HydrophobicContact CD2-CE2 3.76Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.39Å; L179-L187 HydrophobicContact CB-CD1 4.41Å
180E91.8Very high92.5Very high26 Ų2646.9 Ų46.912%0.12124%0.242CC..Hα-helixtrans-59.8-48.4174.9-70.6173.2132.600111.4V176 E177 S184 L185 L187 R189V176-E180 HydrophobicContact CG1-CG 4.44Å; V176-E180 WeakPolarHBondContact O-CG 3.48Å; V176-E180 PolarHBondContact O-N 3.32Å; E177-E180 PolarHBondContact O-N 2.98Å; E180-S184 WeakPolarHBondContact O-CA 3.27Å; E180-S184 PolarHBondContact O-N 2.84Å; E180-L185 WeakPolarHBondContact CB-O 3.42Å; E180-L185 HydrophobicContact CG-CB 4.38Å; E180-L185 WeakPolarHBondContact CG-O 3.49Å; E180-L185 PolarHBondContact O-N 2.83Å; E180-L185 VanDerWaalsContact O-N 3.14Å; E180-L187 HydrophobicContact CG-CB 4.12Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 3.93Å; E180-L187 PolarHBondContact OE1-N 2.89Å; E180-R189 IonicContact OE1-CZ 2.66Å; E180-R189 IonicContact OE1-NH2 2.74Å; E180-R189 PolarHBondContact OE1-NH2 3.14Å; E180-R189 IonicContact OE2-CZ 3.95Å; E180-R189 IonicContact OE2-NH1 2.74Å; E180-R189 IonicContact OE2-NH2 3.02Å; E180-R189 PolarHBondContact OE2-NH2 3.45Å
181N89.9Confident92.5Very high122 Ų12248 Ų4865%0.65225%0.246SC*.Hα-helixtrans-66-41177.7-73.9-57.2000112.7E177E177-N181 WeakPolarHBondContact O-CB 3.49Å; E177-N181 PolarHBondContact O-N 3.21Å; E177-N181 PolarHBondContact O-ND2 3.23Å
182K91.3Very high92.6Very high105 Ų10555.3 Ų55.346%0.45728%0.278SS..Hα-helixtrans-70.7-38.6-179.3-175179.3-179.6-157.30113L132 G178 L179L132-K182 HydrophobicContact CB-CD 3.63Å; L132-K182 HydrophobicContact CD1-CB 3.85Å; L132-K182 HydrophobicContact CD1-CD 3.89Å; L132-K182 HydrophobicContact CD1-CG 4.44Å; L132-K182 HydrophobicContact CG-CD 4.43Å; L132-K182 PolarHBondContact O-NZ 3.03Å; G178-K182 VanDerWaalsContact O-CB 3.3Å; G178-K182 WeakPolarHBondContact O-CB 3.46Å; G178-K182 PolarHBondContact O-N 2.9Å; L179-K182 PolarHBondContact O-N 3.44Å
183Y89.4Confident92.6Very high59 Ų5957.7 Ų57.723%0.23129%0.292CS..Hα-helixtrans-113.47.8-170.3-63.8-63.1000114.1G133 E134 Y149 L179 L185G133-Y183 VanDerWaalsContact C-OH 3.25Å; G133-Y183 WeakPolarHBondContact O-CE2 3.28Å; G133-Y183 PolarHBondContact O-OH 2.85Å; E134-Y183 WeakPolarHBondContact CA-OH 3.44Å; E134-Y183 PolarHBondContact N-OH 2.86Å; Y149-Y183 HydrophobicContact CD1-CD2 4.11Å; Y149-Y183 AromaticContact CD1-CE2 3.91Å; Y149-Y183 HydrophobicContact CD1-CE2 3.91Å; Y149-Y183 AromaticContact CE1-CD2 3.71Å; Y149-Y183 HydrophobicContact CE1-CD2 3.71Å; Y149-Y183 AromaticContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CE2 3.88Å; Y149-Y183 HydrophobicContact CE1-CG 4.33Å; L179-Y183 HydrophobicContact CD2-CD2 3.94Å; L179-Y183 HydrophobicContact CD2-CE2 3.76Å; L179-Y183 WeakPolarHBondContact O-CB 3.35Å; L179-Y183 PolarHBondContact O-N 3.39Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.78Å
184S89.6Confident92.6Very high115 Ų11558 Ų5880%0.80429%0.293SS*.THydrogen-bonded Turntrans53.144.1-176-590000112.9E180E180-S184 WeakPolarHBondContact O-CA 3.27Å; E180-S184 PolarHBondContact O-N 2.84Å
185L89.6Confident92.5Very high47 Ų4766.6 Ų66.625%0.24633%0.329CS..  trans-95.6164-179-53.3170000111.3Y149 E180 Y183 L187Y149-L185 HydrophobicContact CE1-CD1 4.18Å; Y149-L185 HydrophobicContact CE2-CD1 4.21Å; Y149-L185 WeakPolarHBondContact OH-CD1 3.35Å; E180-L185 WeakPolarHBondContact CB-O 3.42Å; E180-L185 HydrophobicContact CG-CB 4.38Å; E180-L185 WeakPolarHBondContact CG-O 3.49Å; E180-L185 PolarHBondContact O-N 2.83Å; E180-L185 VanDerWaalsContact O-N 3.14Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.78Å; L185-L187 HydrophobicContact CB-CG 4.35Å
186E92.3Very high92.2Very high55 Ų5574.5 Ų74.526%0.25737%0.371SS..  trans-125118166-56.3-179.5153.800107.5S86 E87 R271S86-E186 WeakPolarHBondContact CA-O 3.34Å; E87-E186 PolarHBondContact N-O 3.01Å; E186-R271 IonicContact OE1-CZ 3.79Å; E186-R271 IonicContact OE1-NE 2.71Å; E186-R271 IonicContact OE1-NH1 3.01Å; E186-R271 PolarHBondContact OE1-NH1 2.92Å; E186-R271 IonicContact OE1-NH2 3.73Å; E186-R271 PolarHBondContact OE1-NH2 2.95Å; E186-R271 IonicContact OE2-CZ 3.04Å; E186-R271 IonicContact OE2-NH1 3.05Å; E186-R271 PolarHBondContact OE2-NH1 3.13Å; E186-R271 IonicContact OE2-NH2 2.98Å; E186-R271 PolarHBondContact OE2-NH2 2.74Å
187L92Very high91.9Very high8 Ų878.6 Ų78.64%0.04239%0.387CS..BIsolated β-bridgetrans-118.2135-173.8-64.7178.8000111.3T84 V93 I95 V176 L179 E180 L185 R189T84-L187 HydrophobicContact CG2-CB 4.49Å; T84-L187 HydrophobicContact CG2-CD2 4.41Å; V93-L187 HydrophobicContact CB-CD2 4.25Å; V93-L187 HydrophobicContact CG1-CD2 4.09Å; V93-L187 HydrophobicContact CG2-CD2 4.01Å; I95-L187 HydrophobicContact CD1-CD1 4.31Å; V176-L187 HydrophobicContact CG1-CB 3.85Å; V176-L187 HydrophobicContact CG1-CD1 4.1Å; L179-L187 HydrophobicContact CB-CD1 4.41Å; E180-L187 HydrophobicContact CG-CB 4.12Å; E180-L187 HydrophobicContact CG-CD1 4.06Å; E180-L187 HydrophobicContact CG-CG 3.93Å; E180-L187 PolarHBondContact OE1-N 2.89Å; L185-L187 HydrophobicContact CB-CG 4.35Å; L187-R189 PolarHBondContact O-NE 2.86Å
188N91.8Very high91.9Very high42 Ų4281.5 Ų81.523%0.22540%0.398CS..  trans-68.7141.1-178.6-164.9-49.7000110.8T84 F85 E87 D190T84-N188 PolarHBondContact OG1-O 3.14Å; F85-N188 HydrophobicContact CB-CB 4.46Å; F85-N188 WeakPolarHBondContact O-CB 3.45Å; F85-N188 PolarHBondContact O-N 3.24Å; E87-N188 HydrophobicContact CG-CB 4.26Å; E87-N188 PolarHBondContact OE1-ND2 3.3Å; N188-D190 WeakPolarHBondContact OD1-CB 3.36Å; N188-D190 PolarHBondContact OD1-N 3.42Å
189R91.7Very high92Very high105 Ų10581.8 Ų81.840%0.39640%0.395SS..SBendtrans-87.4-12-177.1-51.4-60.8161.4142.2-3.2113.5E177 E180 L187 W191E177-R189 IonicContact OE1-NH1 3.17Å; E180-R189 IonicContact OE1-CZ 2.66Å; E180-R189 IonicContact OE1-NH2 2.74Å; E180-R189 PolarHBondContact OE1-NH2 3.14Å; E180-R189 IonicContact OE2-CZ 3.95Å; E180-R189 IonicContact OE2-NH1 2.74Å; E180-R189 IonicContact OE2-NH2 3.02Å; E180-R189 PolarHBondContact OE2-NH2 3.45Å; L187-R189 PolarHBondContact O-NE 2.86Å; R189-W191 HydrophobicContact CB-CZ3 4.29Å; R189-W191 PolarHBondContact O-N 2.85Å
190D91.1Very high91.9Very high133 Ų13382 Ų8271%0.71140%0.396SS*.  trans-77.150.5173-72.6-31.3000112.7N188N188-D190 WeakPolarHBondContact OD1-CB 3.36Å; N188-D190 PolarHBondContact OD1-N 3.42Å
191W94.5Very high91.8Very high29 Ų2982.3 Ų82.311%0.1141%0.406CS..  trans-74.9158.2-176.860.364.9000113.7V82 K83 Q169 I172 L173 V176 R189V82-W191 HydrophobicContact CG1-CB 3.62Å; V82-W191 HydrophobicContact CG1-CG 3.93Å; K83-W191 CarbonylContact O-C 3.55Å; K83-W191 WeakPolarHBondContact O-CA 3.4Å; Q169-W191 VanDerWaalsContact CD-CZ2 3.47Å; Q169-W191 HydrophobicContact CG-CZ2 4.34Å; Q169-W191 VanDerWaalsContact NE2-CZ2 3.26Å; I172-W191 HydrophobicContact CB-CZ2 4.05Å; I172-W191 HydrophobicContact CG2-CD2 3.71Å; I172-W191 HydrophobicContact CG2-CE3 4.22Å; I172-W191 HydrophobicContact CG2-CG 4.11Å; I172-W191 HydrophobicContact CG2-CH2 4.19Å; I172-W191 HydrophobicContact CG2-CZ2 3.65Å; I172-W191 HydrophobicContact CG2-CZ3 4.45Å; L173-W191 HydrophobicContact CB-CH2 4.01Å; L173-W191 HydrophobicContact CD1-CH2 3.91Å; L173-W191 HydrophobicContact CD1-CZ3 4.42Å; V176-W191 HydrophobicContact CB-CZ3 4.49Å; V176-W191 HydrophobicContact CG2-CE3 4.12Å; V176-W191 HydrophobicContact CG2-CZ3 4.05Å; R189-W191 HydrophobicContact CB-CZ3 4.29Å; R189-W191 PolarHBondContact O-N 2.85Å
192K95.4Very high91.5Very high157 Ų15781.2 Ų81.268%0.68341%0.408SS*.EExtended strand (participates in β ladder)trans-133.7113.1-178.7-63.2-177.8-177.1176.40110.7K83K83-K192 PolarHBondContact N-O 2.83Å; K83-K192 PolarHBondContact O-N 3.47Å
193V96.5Very high91.1Very high51 Ų5177.8 Ų77.831%0.30940%0.395SS..EExtended strand (participates in β ladder)trans-69128.7173.6-175.50000109.7L80 I172 K195L80-V193 HydrophobicContact CB-CG1 4.38Å; L80-V193 HydrophobicContact CD1-CG1 4.32Å; I172-V193 HydrophobicContact CD1-CG2 3.57Å; V193-K195 PolarHBondContact O-N 2.99Å
194L94.5Very high90.3Very high48 Ų4877.5 Ų77.525%0.25140%0.402SS..  trans-80118.2-179-58.9-173.2000111.1C81 K83 F94 R197C81-L194 HydrophobicContact CB-CB 4.4Å; C81-L194 HydrophobicContact CB-CD1 4.06Å; C81-L194 HydrophobicContact CB-CG 4.39Å; C81-L194 PolarHBondContact O-N 2.88Å; K83-L194 HydrophobicContact CB-CD2 4.1Å; F94-L194 HydrophobicContact CD1-CD1 4.19Å; F94-L194 HydrophobicContact CE1-CD1 4.02Å; L194-R197 HydrophobicContact CB-CB 4.4Å; L194-R197 WeakPolarHBondContact CB-O 3.49Å; L194-R197 HydrophobicContact CD1-CB 4.14Å; L194-R197 HydrophobicContact CD1-CG 4.44Å
195K90.3Very high89.8Confident204 Ų20477.8 Ų77.889%0.88739%0.391SS*.SBendtrans-71-33.4179.9-61.4-173.6178.8-175.20113.7V193V193-K195 PolarHBondContact O-N 2.99Å
196N89.9Confident88.9Confident167 Ų16776.2 Ų76.289%0.89338%0.382SS*.SBendtrans-106.85-170.4-60.66000113.7
197R89.8Confident88Confident88 Ų8878.6 Ų78.633%0.33240%0.397SS..  trans-147.7117.3-178.4179.9173.6-71.3164.75.9109.4C81 N141 L194 F199 L200C81-R197 WeakPolarHBondContact CB-O 3.35Å; N141-R197 PolarHBondContact OD1-NH1 3.12Å; N141-R197 PolarHBondContact OD1-NH2 2.9Å; L194-R197 HydrophobicContact CB-CB 4.4Å; L194-R197 WeakPolarHBondContact CB-O 3.49Å; L194-R197 HydrophobicContact CD1-CB 4.14Å; L194-R197 HydrophobicContact CD1-CG 4.44Å; R197-F199 VanDerWaalsContact CD-O 3.32Å; R197-F199 WeakPolarHBondContact CD-O 3.49Å; R197-F199 WeakPolarHBondContact CG-O 3.43Å; R197-L200 VanDerWaalsContact NH1-CD1 3.26Å
198K92.5Very high86.9Confident134 Ų13478.8 Ų78.858%0.58340%0.398SS*.SBendtrans-87.9-14.9179.5-68.9-173170.9-169.60114.5P78 G79 L80 C81P78-K198 HydrophobicContact CB-CB 4.21Å; G79-K198 WeakPolarHBondContact O-CD 3.39Å; G79-K198 WeakPolarHBondContact O-CG 3.42Å; L80-K198 CarbonylContact C-O 3.55Å; C81-K198 PolarHBondContact N-O 2.91Å
199F94.3Very high85.7Confident22 Ų2282.1 Ų82.110%0.09641%0.407CS..  trans-152.9139.5-178.6-165.7-87.3000108.9P78 N96 D150 R197 G201 S202 V203P78-F199 HydrophobicContact CB-CB 4.06Å; P78-F199 HydrophobicContact CB-CD2 4.47Å; P78-F199 HydrophobicContact CG-CB 4.15Å; P78-F199 HydrophobicContact CG-CD2 4.18Å; P78-F199 HydrophobicContact CG-CG 4.36Å; N96-F199 HydrophobicContact CB-CD2 3.58Å; N96-F199 HydrophobicContact CB-CE2 3.62Å; N96-F199 HydrophobicContact CB-CG 4.33Å; N96-F199 HydrophobicContact CB-CZ 4.38Å; N96-F199 WeakPolarHBondContact ND2-CZ 3.07Å; N96-F199 WeakPolarHBondContact OD1-CA 3.3Å; D150-F199 WeakPolarHBondContact OD1-CE2 3.04Å; D150-F199 VanDerWaalsContact OD1-CZ 3.23Å; D150-F199 WeakPolarHBondContact OD1-CZ 3.35Å; D150-F199 WeakPolarHBondContact OD2-CZ 3.43Å; R197-F199 VanDerWaalsContact CD-O 3.32Å; R197-F199 WeakPolarHBondContact CD-O 3.49Å; R197-F199 WeakPolarHBondContact CG-O 3.43Å; F199-G201 WeakPolarHBondContact CD1-O 3.3Å; F199-S202 VanDerWaalsContact CE1-C 3.46Å; F199-V203 HydrophobicContact CD1-CG2 3.96Å; F199-V203 HydrophobicContact CD2-CG2 4Å; F199-V203 HydrophobicContact CE1-CG2 4Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CZ-CB 4.39Å; F199-V203 HydrophobicContact CZ-CG2 4.03Å
200L92.8Very high84.1Confident5 Ų581.1 Ų81.13%0.02641%0.408CS..SBendtrans-102.9128.5166.8-175.869.9000109.4F94 N96 E138 A148 R197F94-L200 HydrophobicContact CB-CB 4.39Å; F94-L200 HydrophobicContact CB-CD2 3.81Å; F94-L200 HydrophobicContact CD1-CD2 3.99Å; F94-L200 HydrophobicContact CD2-CD2 3.33Å; F94-L200 HydrophobicContact CE1-CD2 4.37Å; F94-L200 HydrophobicContact CE2-CD2 3.77Å; F94-L200 HydrophobicContact CG-CD2 3.44Å; F94-L200 VanDerWaalsContact CG-CD2 3.44Å; F94-L200 HydrophobicContact CZ-CD2 4.26Å; N96-L200 PolarHBondContact ND2-O 3.3Å; N96-L200 PolarHBondContact OD1-N 2.96Å; E138-L200 HydrophobicContact CB-CD2 3.81Å; E138-L200 HydrophobicContact CB-CG 4Å; E138-L200 HydrophobicContact CG-CD2 4.46Å; E138-L200 HydrophobicContact CG-CG 4.19Å; A148-L200 HydrophobicContact CB-CD2 4.46Å; R197-L200 VanDerWaalsContact NH1-CD1 3.26Å
201G88.7Confident82.4Confident32 Ų3281 Ų8133%0.3340%0.401SS..SBendtrans92.4-159.1-178.400000114.5E138 F199E138-G201 WeakPolarHBondContact OE1-CA 3.38Å; F199-G201 WeakPolarHBondContact CD1-O 3.3Å
202S83.9Confident80.2Confident99 Ų9984.3 Ų84.369%0.69243%0.428SS*.  trans-99.6132177.3-65.90000111.5F199 S204F199-S202 VanDerWaalsContact CE1-C 3.46Å; S202-S204 PolarHBondContact O-N 2.88Å
203V82Confident77.9Confident33 Ų3385.8 Ų85.820%0.243%0.43CS..  trans-67.898.7177.7-176.10000109.9R75 P76 P78 F199R75-V203 HydrophobicContact CG-CG1 4.11Å; R75-V203 PolarHBondContact NE-O 3.1Å; R75-V203 PolarHBondContact NH2-O 2.66Å; P76-V203 HydrophobicContact CG-CG1 4.36Å; P76-V203 WeakPolarHBondContact O-CG1 3.42Å; P78-V203 HydrophobicContact CG-CG2 3.56Å; F199-V203 HydrophobicContact CD1-CG2 3.96Å; F199-V203 HydrophobicContact CD2-CG2 4Å; F199-V203 HydrophobicContact CE1-CG2 4Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CZ-CB 4.39Å; F199-V203 HydrophobicContact CZ-CG2 4.03Å
204S74.2Confident75.3Confident53 Ų5388.8 Ų88.837%0.37145%0.45SS..  trans-70.6165.5174.465.20000111.7D150 S202D150-S204 PolarHBondContact OD2-OG 3.29Å; S202-S204 PolarHBondContact O-N 2.88Å
205E77.4Confident72.9Confident122 Ų12292.5 Ų92.557%0.5748%0.475SS*.  trans-93.8131.2171-64.4177.9140.900108.8L73 I74 R75L73-E205 HydrophobicContact CD1-CB 3.89Å; L73-E205 HydrophobicContact CD2-CB 4.31Å; L73-E205 HydrophobicContact CG-CB 3.99Å; I74-E205 CarbonylContact O-C 3.55Å; I74-E205 WeakPolarHBondContact O-CA 3.48Å; R75-E205 HydrophobicContact CB-CG 4.22Å; R75-E205 HydrophobicContact CG-CG 4.24Å
206Q70.5Confident70.5Confident13 Ų1390.5 Ų90.56%0.06147%0.472CS..EExtended strand (participates in β ladder)trans-108135.3179.1-68.7-165.64.500110.4I74 S131 D150 I208I74-Q206 HydrophobicContact CG1-CB 4.48Å; I74-Q206 WeakPolarHBondContact CG1-O 3.41Å; I74-Q206 PolarHBondContact N-O 2.91Å; I74-Q206 PolarHBondContact O-N 2.92Å; S131-Q206 PolarHBondContact OG-OE1 2.95Å; D150-Q206 PolarHBondContact O-NE2 2.8Å; Q206-I208 HydrophobicContact CB-CG2 4.28Å; Q206-I208 PolarHBondContact O-N 3.09Å
207N75Confident68.3Low106 Ų10690.5 Ų90.557%0.56747%0.467SS*.EExtended strand (participates in β ladder)trans-90.2103.2175.2-149.4-25.4000109
208I68.2Low66.2Low11 Ų1194.7 Ų94.76%0.05649%0.49CS..EExtended strand (participates in β ladder)trans-105.2144.6-175.564.7160.1000111.5S71 T72 I74 V103 Q206S71-I208 CarbonylContact C-O 3.53Å; S71-I208 WeakPolarHBondContact CA-O 3.4Å; T72-I208 PolarHBondContact N-O 2.63Å; T72-I208 WeakPolarHBondContact O-CG1 3.46Å; T72-I208 PolarHBondContact O-N 2.99Å; I74-I208 HydrophobicContact CD1-CD1 3.69Å; I74-I208 HydrophobicContact CD1-CG1 4.12Å; I74-I208 HydrophobicContact CD1-CG2 4.06Å; I74-I208 HydrophobicContact CG1-CD1 4.11Å; I74-I208 HydrophobicContact CG1-CG1 4.01Å; I74-I208 HydrophobicContact CG1-CG2 4.07Å; I74-I208 HydrophobicContact CG2-CD1 4.02Å; I74-I208 HydrophobicContact CG2-CG1 4.01Å; V103-I208 HydrophobicContact CG2-CD1 4.03Å; Q206-I208 HydrophobicContact CB-CG2 4.28Å; Q206-I208 PolarHBondContact O-N 3.09Å
209R67.6Low63.6Low113 Ų11396.3 Ų96.343%0.42650%0.504SS..EExtended strand (participates in β ladder)trans-87.6108174-172.7-169.7171.7116.11.7108.8P69 K211P69-R209 VanDerWaalsContact CG-NH1 3.35Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 WeakPolarHBondContact CD-O 3.4Å; R209-K211 WeakPolarHBondContact CG-O 3.25Å; R209-K211 PolarHBondContact NE-O 3.08Å; R209-K211 PolarHBondContact O-N 3.19Å
210M56.8Low61Low84 Ų84102.3 Ų102.341%0.41453%0.533SS..SBendtrans-65.6-30.3-173.4-66.9-174.567.100113.6D70 T72D70-M210 HydrophobicContact CB-CB 4.15Å; D70-M210 PolarHBondContact O-N 2.64Å; T72-M210 HydrophobicContact CG2-SD 4.47Å; T72-M210 PolarHBondContact OG1-SD 2.83Å
211K56Low58.2Low130 Ų130107.9 Ų107.957%0.56557%0.569SS**SBendtrans-99.4119175.9-70.2168.7179.7158.30109.9D70 R209D70-K211 VanDerWaalsContact OD2-CD 3.3Å; D70-K211 WeakPolarHBondContact OD2-CD 3.45Å; D70-K211 WeakPolarHBondContact OD2-CE 3.33Å; D70-K211 IonicContact OD2-NZ 3.15Å; D70-K211 PolarHBondContact OD2-NZ 2.93Å; R209-K211 VanDerWaalsContact C-N 3.28Å; R209-K211 WeakPolarHBondContact CD-O 3.4Å; R209-K211 WeakPolarHBondContact CG-O 3.25Å; R209-K211 PolarHBondContact NE-O 3.08Å; R209-K211 PolarHBondContact O-N 3.19Å
212S47.8Very low55.8Low98 Ų98114.6 Ų114.669%0.68559%0.592SS**PPolyproline II helixtrans-47.4144.4159.744.30000109.2
213R48.3Very low53.2Low188 Ų188115.8 Ų115.871%0.70960%0.598SS**PPolyproline II helixtrans-60.4131.1168.1-69.9-175.5-179-154.42.1106.6V215R213-V215 PolarHBondContact O-N 3.07Å; R213-V215 VanDerWaalsContact O-N 3.11Å
214P41.4Very low51.1Low114 Ų114119.4 Ų119.474%0.7462%0.623SS**PPolyproline II helixtrans-56.6122.4161.526.2-31.9000106.2I216P214-I216 PolarHBondContact O-N 3.48Å
215V44.1Very low49.1Very low127 Ų127125.3 Ų125.377%0.7765%0.649SS**PPolyproline II helixtrans-65.8129.6176178.90000106.4R213 Q217R213-V215 PolarHBondContact O-N 3.07Å; R213-V215 VanDerWaalsContact O-N 3.11Å; V215-Q217 PolarHBondContact O-N 3.19Å
216I40Very low46.8Very low161 Ų161123.2 Ų123.283%0.82666%0.66SS**  trans-72.388.9166.2-60.5175.5000105.2P214P214-I216 PolarHBondContact O-N 3.48Å
217Q43.3Very low45.3Very low168 Ų168127.5 Ų127.579%0.78570%0.698SS**  trans-77.1122.8169.4-174.7169.1-4.600107V215 L219V215-Q217 PolarHBondContact O-N 3.19Å; Q217-L219 PolarHBondContact O-N 3.37Å
218E44.7Very low43.2Very low176 Ų176129.5 Ų129.582%0.82271%0.714SS**  trans-63.8123.4-178.2-63.6-170.3156.600110Q220E218-Q220 PolarHBondContact O-N 3.19Å
219L37.8Very low41.5Very low168 Ų168138 Ų13888%0.8875%0.753SS**  trans-71.1109.3171.5-69.3173000107.8Q217Q217-L219 PolarHBondContact O-N 3.37Å
220Q41.2Very low40.3Very low147 Ų147137.1 Ų137.169%0.68777%0.77SS**  trans-53.9128.2176-69.5179.5-10.500110.1E218 H222E218-Q220 PolarHBondContact O-N 3.19Å; Q220-H222 PolarHBondContact O-N 2.99Å
221P34.1Very low39.3Very low123 Ų123138.1 Ų138.180%0.79979%0.785SS**  trans-71.897.4178.528.3-33.6000110.2C223P221-C223 PolarHBondContact O-N 3.39Å
222H37.1Very low37.9Very low173 Ų173136.6 Ų136.680%0.80179%0.791SS**  trans-61.2100.5177.4-60.4-54000111.7Q220Q220-H222 PolarHBondContact O-N 2.99Å
223C28.9Very low37Very low123 Ų123142.4 Ų142.483%0.83180%0.798SS**  trans-76.5134.2163.7-74.90000109.9P221P221-C223 PolarHBondContact O-N 3.39Å
224P39.3Very low36.4Very low110 Ų110141.9 Ų141.971%0.71480%0.803SS**  trans-96.4169.1-166.538.3-38.5000114.8
225L32.3Very low36.1Very low177 Ų177143.7 Ų143.793%0.92780%0.802SS**  trans74.3134.4-178.6-7363.1000114.3
226G29.3Very low35.5Very low77 Ų77143.1 Ų143.179%0.79480%0.799SS**  cis-147.3161.8200000112.5
227A38.2Very low35.4Very low103 Ų103140.8 Ų140.885%0.85179%0.792SS**  trans-88.8136.2-161.300000115.6
228V31.8Very low35.4Very low149 Ų149140.5 Ų140.590%0.90380%0.795SS**  trans-134.5162146.5-167.30000108.3
229Q31.8Very low35.8Very low188 Ų188138.5 Ų138.588%0.87979%0.786SS**  trans-80152.2-157.2-66.2165-15.800116.3
230A42.5Very low37Very low96 Ų96134.4 Ų134.479%0.79377%0.768SS**  trans-44.5135.4177.600000117.9
231S34.6Very low38.5Very low105 Ų105133.5 Ų133.573%0.73477%0.766SS**  trans-167158130.930.80000111.1
232S27.8Very low40.7Very low97 Ų97128 Ų12868%0.67873%0.73SS**  trans42.890.7170.956.90000117.9H234S232-H234 PolarHBondContact O-N 2.67Å
233W28.4Very low43Very low221 Ų221125.6 Ų125.684%0.83772%0.719SS**  trans-77.4101.6162.1-70.680000110.1E235W233-E235 WeakPolarHBondContact CZ3-OE2 3.28Å
234H34.9Very low45.7Very low177 Ų177121.7 Ų121.782%0.81969%0.693SS**  trans-105.8115.6154.1-73.5-95.8000106.4S232S232-H234 PolarHBondContact O-N 2.67Å
235E36Very low48Very low152 Ų152118.6 Ų118.671%0.7167%0.674SS**  trans-129.5112.9-177.9-162.9153.5-140.300110W233W233-E235 WeakPolarHBondContact CZ3-OE2 3.28Å
236T32.5Very low50.6Low115 Ų115113.4 Ų113.471%0.70665%0.647SS**  trans-74.6142.8-171.9-51.40000111L238T236-L238 PolarHBondContact O-N 3.23Å; T236-L238 VanDerWaalsContact O-N 3.07Å
237T36.5Very low53.4Low111 Ų111113.8 Ų113.868%0.68163%0.63SS**  trans-59.7109.116641.80000109.8E239T237-E239 PolarHBondContact O-N 3Å; T237-E239 VanDerWaalsContact O-N 3.16Å
238L43.5Very low55.7Low162 Ų162111.3 Ų111.385%0.84860%0.604SS**  trans-71.9109.6-179.4-67.9176.2000110.6T236T236-L238 PolarHBondContact O-N 3.23Å; T236-L238 VanDerWaalsContact O-N 3.07Å
239E53.1Low58.2Low135 Ų135109.3 Ų109.363%0.63159%0.585SS**  trans-59.8133.4169.9-64.2165.216700109.9T237 I241 H292T237-E239 PolarHBondContact O-N 3Å; T237-E239 VanDerWaalsContact O-N 3.16Å; E239-I241 PolarHBondContact O-N 2.76Å; E239-H292 HydrophobicContact CB-CB 4.17Å; E239-H292 HydrophobicContact CG-CB 4.37Å; E239-H292 IonicContact OE2-CD2 3.73Å; E239-H292 PolarHBondContact OE2-CD2 2.93Å; E239-H292 IonicContact OE2-CG 2.64Å
240V63.3Low60.7Low82 Ų82102.6 Ų102.650%0.49756%0.558SS.*  trans-80.4111.7175.6-174.20000108.4P242 Y291 H292V240-P242 WeakPolarHBondContact O-CD 3.4Å; V240-Y291 HydrophobicContact CB-CD1 4.17Å; V240-Y291 HydrophobicContact CB-CE1 4.2Å; V240-Y291 HydrophobicContact CG1-CD1 4.01Å; V240-Y291 HydrophobicContact CG1-CE1 3.67Å; V240-Y291 WeakPolarHBondContact O-CA 3.42Å; V240-Y291 WeakPolarHBondContact O-CD1 3.48Å; V240-H292 PolarHBondContact O-N 3.45Å
241I73.1Confident62.3Low127 Ų127103.5 Ų103.565%0.65156%0.556SS**  trans-70.9121.1170.9-56.3176.6000107.8E239 H292 L293E239-I241 PolarHBondContact O-N 2.76Å; I241-H292 WeakPolarHBondContact CA-O 3.38Å; I241-L293 HydrophobicContact CG2-CD1 3.93Å
242P80.4Confident64.1Low7 Ų7104.3 Ų104.35%0.04556%0.556CS.*  trans-70.1153.6178.428.9-33.4000111.2V240 C244 I262 K263 L264 Y291 H292 L293V240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-C244 PolarHBondContact O-N 2.82Å; P242-I262 HydrophobicContact CB-CG2 3.72Å; P242-I262 HydrophobicContact CG-CG2 3.63Å; P242-K263 WeakPolarHBondContact CB-O 3.49Å; P242-L264 HydrophobicContact CB-CD2 3.83Å; P242-L264 HydrophobicContact CG-CD2 4.23Å; P242-Y291 HydrophobicContact CB-CD1 3.64Å; P242-Y291 HydrophobicContact CB-CE1 4.25Å; P242-Y291 HydrophobicContact CB-CG 4.12Å; P242-Y291 HydrophobicContact CG-CD1 4.29Å; P242-H292 WeakPolarHBondContact CD-O 3.42Å; P242-L293 HydrophobicContact CG-CB 3.83Å; P242-L293 HydrophobicContact CG-CD1 4.2Å; P242-L293 HydrophobicContact CG-CD2 4.43Å; P242-L293 HydrophobicContact CG-CG 4.38Å
243E85.7Confident66.6Low123 Ų123103.1 Ų103.158%0.57556%0.559SS**EExtended strand (participates in β ladder)trans-68.3106.4173.6-164.4-167.4154.700109K263E243-K263 HydrophobicContact CB-CB 4.34Å; E243-K263 HydrophobicContact CB-CD 4.3Å; E243-K263 HydrophobicContact CB-CG 4.44Å; E243-K263 PolarHBondContact O-N 2.87Å; E243-K263 WeakPolarHBondContact OE1-CE 3.31Å; E243-K263 IonicContact OE1-NZ 3.7Å; E243-K263 PolarHBondContact OE1-NZ 3.17Å; E243-K263 WeakPolarHBondContact OE2-CD 3.46Å; E243-K263 WeakPolarHBondContact OE2-CE 3.27Å; E243-K263 IonicContact OE2-NZ 3.68Å; E243-K263 PolarHBondContact OE2-NZ 2.88Å
244C85.5Confident69Low41 Ų41100.5 Ų100.528%0.27756%0.556SS.*EExtended strand (participates in β ladder)trans-112132.7180179.90000110.5P242 E261 I262 L293P242-C244 PolarHBondContact O-N 2.82Å; C244-E261 CarbonylContact C-O 3.59Å; C244-E261 WeakPolarHBondContact CA-O 3.43Å; C244-I262 HydrophobicContact CB-CG1 4.25Å; C244-L293 HydrophobicContact CB-CD1 4.12Å; C244-L293 HydrophobicContact CB-CD2 4Å
245S87.8Confident71.3Confident45 Ų4594.1 Ų94.132%0.31553%0.53SS..EExtended strand (participates in β ladder)trans-124.5123.7171.547.40000110.6E261S245-E261 PolarHBondContact N-O 2.68Å; S245-E261 PolarHBondContact O-N 3.48Å
246L86.8Confident73.8Confident68 Ų6892.5 Ų92.536%0.35652%0.523SS..EExtended strand (participates in β ladder)trans-90.7127.3172.9-61.6-178.5000110L258 I259 A260 I295 H297L246-L258 HydrophobicContact CB-CD1 4.18Å; L246-L258 HydrophobicContact CD2-CD1 4.42Å; L246-I259 CarbonylContact C-O 3.55Å; L246-I259 WeakPolarHBondContact CA-O 3.44Å; L246-A260 HydrophobicContact CD2-CB 3.58Å; L246-I295 HydrophobicContact CD2-CD1 4.28Å; L246-H297 HydrophobicContact CD1-CB 4.07Å
247L87.2Confident76.4Confident86 Ų8691.8 Ų91.845%0.4551%0.508SS..EExtended strand (participates in β ladder)trans-118.8153176.2-59.2175.2000109.2I259L247-I259 HydrophobicContact CB-CB 4.33Å; L247-I259 PolarHBondContact N-O 3.19Å; L247-I259 PolarHBondContact O-N 3.15Å
248V87.7Confident78.7Confident50 Ų5086.6 Ų86.630%0.30348%0.476SS..EExtended strand (participates in β ladder)trans-126.1127.3-177.7178.70000109P250 P251 P255 L258 F299V248-P250 CarbonylContact O-C 3.5Å; V248-P251 WeakPolarHBondContact O-CA 3.47Å; V248-P255 HydrophobicContact CG1-CB 3.55Å; V248-L258 HydrophobicContact CG2-CD1 4.27Å; V248-F299 HydrophobicContact CG2-CE2 3.63Å; V248-F299 HydrophobicContact CG2-CZ 4.15Å
249E83.2Confident81Confident108 Ų10879.9 Ų79.951%0.50544%0.441SS..EExtended strand (participates in β ladder)trans-119.5135.3174.8-64.7-162.2149.300110.9E256 Y257 I259E249-E256 PolarHBondContact O-N 3.25Å; E249-Y257 PolarHBondContact N-O 2.98Å; E249-Y257 PolarHBondContact O-N 3.48Å; E249-I259 HydrophobicContact CG-CD1 3.91Å
250P84.5Confident82.6Confident47 Ų4773.5 Ų73.531%0.30541%0.411SS..SBendcis-65.1147.5-13.529.9-35.6000111.9V248 T252 H254V248-P250 CarbonylContact O-C 3.5Å; P250-T252 PolarHBondContact O-N 3.05Å; P250-T252 VanDerWaalsContact O-N 3.13Å; P250-H254 WeakPolarHBondContact CD-O 3.47Å; P250-H254 WeakPolarHBondContact CG-O 3.48Å
251P75.5Confident83.8Confident115 Ų11573 Ų7375%0.74740%0.403SS*.SBendtrans-71.4-6.2-177.529.6-37000114V248V248-P251 WeakPolarHBondContact O-CA 3.47Å
252T72.9Confident84.7Confident122 Ų12267 Ų6775%0.74837%0.372SS*.SBendtrans-141.6126.6174.450.60000110.2P250P250-T252 PolarHBondContact O-N 3.05Å; P250-T252 VanDerWaalsContact O-N 3.13Å
253G79.3Confident85Confident72 Ų7270.5 Ų70.574%0.74239%0.387SS*.SBendtrans120.7-143.4-177.100000111.6
254H78.9Confident85Confident166 Ų16664.6 Ų64.677%0.76936%0.359SS*.SBendtrans-86.2135.7169.6-62.2-81.3000109P250 E256P250-H254 WeakPolarHBondContact CD-O 3.47Å; P250-H254 WeakPolarHBondContact CG-O 3.48Å; H254-E256 PolarHBondContact O-N 3.28Å
255P84.4Confident84.8Confident43 Ų4366.1 Ų66.128%0.27937%0.369SS..  trans-71.4128.2176.731-35.1000109.9V248 F299 V323V248-P255 HydrophobicContact CG1-CB 3.55Å; P255-F299 HydrophobicContact CB-CE1 4.17Å; P255-F299 HydrophobicContact CB-CZ 4.34Å; P255-F299 HydrophobicContact CG-CD1 4.03Å; P255-F299 HydrophobicContact CG-CE1 3.69Å; P255-F299 HydrophobicContact CG-CZ 4.31Å; P255-V323 HydrophobicContact CB-CG2 4.32Å; P255-V323 HydrophobicContact CG-CG1 4.36Å
256E87.8Confident84.2Confident117 Ų11766.6 Ų66.655%0.54738%0.38SS..  trans-104.1-31.6176.7-66.1178.8-175.100110.9E249 H254 V323E249-E256 PolarHBondContact O-N 3.25Å; H254-E256 PolarHBondContact O-N 3.28Å; E256-V323 PolarHBondContact O-N 3.22Å
257Y86.9Confident83.7Confident101 Ų10163.6 Ų63.640%0.39637%0.365SS..EExtended strand (participates in β ladder)trans-139.1137.7-180-57.3-83.6000111.7E249 T320 M321 P322E249-Y257 PolarHBondContact N-O 2.98Å; E249-Y257 PolarHBondContact O-N 3.48Å; Y257-T320 HydrophobicContact CD1-CG2 3.97Å; Y257-T320 HydrophobicContact CG-CG2 4.46Å; Y257-M321 WeakPolarHBondContact CA-O 3.43Å; Y257-P322 HydrophobicContact CD1-CB 4.19Å; Y257-P322 HydrophobicContact CD1-CG 4.28Å; Y257-P322 HydrophobicContact CE1-CB 4.11Å; Y257-P322 HydrophobicContact CE1-CG 4.12Å
258L86.5Confident82.9Confident1 Ų163.8 Ų63.81%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-99.4126.6162.7178.366.2000108L246 V248 H297 F299 V301 M321 V323L246-L258 HydrophobicContact CB-CD1 4.18Å; L246-L258 HydrophobicContact CD2-CD1 4.42Å; V248-L258 HydrophobicContact CG2-CD1 4.27Å; L258-H297 HydrophobicContact CD2-CB 3.59Å; L258-F299 HydrophobicContact CB-CD2 4.5Å; L258-F299 HydrophobicContact CD1-CD2 4.06Å; L258-F299 HydrophobicContact CD1-CE2 4.34Å; L258-F299 HydrophobicContact CD2-CD2 4.42Å; L258-V301 HydrophobicContact CB-CG1 4.38Å; L258-V301 HydrophobicContact CD2-CG1 4.21Å; L258-M321 HydrophobicContact CB-CE 4.31Å; L258-M321 HydrophobicContact CD2-CE 3.74Å; L258-M321 HydrophobicContact CG-CE 3.78Å; L258-M321 PolarHBondContact N-O 2.94Å; L258-M321 PolarHBondContact O-N 2.7Å; L258-V323 HydrophobicContact CB-CG2 4.29Å
259I90.3Very high82.2Confident22 Ų2262.3 Ų62.311%0.11337%0.365CS..EExtended strand (participates in β ladder)trans-116.4117.9179.5-56.7178.1000108.6L246 L247 E249 E261 T318 V319 T320L246-I259 CarbonylContact C-O 3.55Å; L246-I259 WeakPolarHBondContact CA-O 3.44Å; L247-I259 HydrophobicContact CB-CB 4.33Å; L247-I259 PolarHBondContact N-O 3.19Å; L247-I259 PolarHBondContact O-N 3.15Å; E249-I259 HydrophobicContact CG-CD1 3.91Å; I259-E261 HydrophobicContact CG2-CG 4.5Å; I259-T318 HydrophobicContact CG2-CG2 3.7Å; I259-V319 CarbonylContact C-O 3.58Å; I259-V319 VanDerWaalsContact CA-O 3.31Å; I259-V319 WeakPolarHBondContact CA-O 3.27Å; I259-T320 HydrophobicContact CG1-CG2 4.3Å
260A87.6Confident81.9Confident0 Ų060.1 Ų60.10%036%0.362CS..EExtended strand (participates in β ladder)trans-98.8116.7171.900000109.9L246 L282 T318 V319 M321L246-A260 HydrophobicContact CD2-CB 3.58Å; A260-L282 HydrophobicContact CB-CD2 3.6Å; A260-T318 CarbonylContact O-C 3.55Å; A260-T318 WeakPolarHBondContact O-CA 3.2Å; A260-V319 HydrophobicContact CB-CB 4.32Å; A260-V319 PolarHBondContact N-O 3.46Å; A260-V319 PolarHBondContact O-N 2.99Å; A260-M321 HydrophobicContact CB-CE 3.95Å
261E88.9Confident81.4Confident72 Ų7266 Ų6634%0.33638%0.378SS..EExtended strand (participates in β ladder)trans-98.9121.6167.1-64.9-160.8127.700109.5C244 S245 I259 I316 T318C244-E261 CarbonylContact C-O 3.59Å; C244-E261 WeakPolarHBondContact CA-O 3.43Å; S245-E261 PolarHBondContact N-O 2.68Å; S245-E261 PolarHBondContact O-N 3.48Å; I259-E261 HydrophobicContact CG2-CG 4.5Å; E261-I316 HydrophobicContact CB-CG2 4.39Å; E261-T318 HydrophobicContact CG-CG2 4.35Å
262I90.9Very high81.3Confident0 Ų062 Ų620%035%0.353CS..EExtended strand (participates in β ladder)trans-123.9117.8-174.8-51.5166.2000108.7P242 C244 L264 L282 L284 L293 I316 L317P242-I262 HydrophobicContact CB-CG2 3.72Å; P242-I262 HydrophobicContact CG-CG2 3.63Å; C244-I262 HydrophobicContact CB-CG1 4.25Å; I262-L264 HydrophobicContact CG2-CD2 3.93Å; I262-L264 HydrophobicContact CG2-CG 4.12Å; I262-L282 HydrophobicContact CD1-CD2 4.24Å; I262-L284 HydrophobicContact CD1-CD2 4.07Å; I262-L284 HydrophobicContact CG2-CD2 3.86Å; I262-L293 HydrophobicContact CD1-CD2 3.64Å; I262-L293 HydrophobicContact CG1-CD2 4.03Å; I262-L293 HydrophobicContact CG2-CD2 4.27Å; I262-I316 WeakPolarHBondContact O-CA 3.15Å; I262-L317 HydrophobicContact CB-CB 4.41Å; I262-L317 HydrophobicContact CD1-CD2 4.29Å; I262-L317 PolarHBondContact N-O 3.15Å; I262-L317 PolarHBondContact O-N 3.16Å
263K87.1Confident81.7Confident81 Ų8157.5 Ų57.535%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-86.5124.3179.8-52.5-174.9-158.2164.80110.3P242 E243 P265 I316P242-K263 WeakPolarHBondContact CB-O 3.49Å; E243-K263 HydrophobicContact CB-CB 4.34Å; E243-K263 HydrophobicContact CB-CD 4.3Å; E243-K263 HydrophobicContact CB-CG 4.44Å; E243-K263 PolarHBondContact O-N 2.87Å; E243-K263 WeakPolarHBondContact OE1-CE 3.31Å; E243-K263 IonicContact OE1-NZ 3.7Å; E243-K263 PolarHBondContact OE1-NZ 3.17Å; E243-K263 WeakPolarHBondContact OE2-CD 3.46Å; E243-K263 WeakPolarHBondContact OE2-CE 3.27Å; E243-K263 IonicContact OE2-NZ 3.68Å; E243-K263 PolarHBondContact OE2-NZ 2.88Å; K263-P265 VanDerWaalsContact C-CD 3.42Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å; K263-I316 HydrophobicContact CG-CG1 4.35Å
264L86.1Confident82Confident0 Ų057.2 Ų57.20%031%0.308CS..  trans-128.258.2-172.1-59.8166.8000110.9P242 I262 V267 L273 L284 Y291 Y310 Q315 L317P242-L264 HydrophobicContact CB-CD2 3.83Å; P242-L264 HydrophobicContact CG-CD2 4.23Å; I262-L264 HydrophobicContact CG2-CD2 3.93Å; I262-L264 HydrophobicContact CG2-CG 4.12Å; L264-V267 HydrophobicContact CB-CB 4.25Å; L264-V267 HydrophobicContact CB-CG2 3.95Å; L264-V267 WeakPolarHBondContact O-CB 3.4Å; L264-V267 PolarHBondContact O-N 3.14Å; L264-V267 VanDerWaalsContact O-N 3.14Å; L264-L273 HydrophobicContact CD1-CD1 3.78Å; L264-L273 HydrophobicContact CD1-CD2 3.92Å; L264-L284 HydrophobicContact CD1-CD2 3.82Å; L264-L284 HydrophobicContact CD2-CD2 3.73Å; L264-L284 HydrophobicContact CG-CD2 4.33Å; L264-Y291 HydrophobicContact CB-CD2 4.42Å; L264-Y291 HydrophobicContact CD2-CD2 3.74Å; L264-Y291 HydrophobicContact CD2-CE2 4.49Å; L264-Y291 HydrophobicContact CD2-CG 3.8Å; L264-Y310 HydrophobicContact CB-CE2 4.44Å; L264-Y310 HydrophobicContact CD1-CE2 4.2Å; L264-Q315 CarbonylContact C-O 3.58Å; L264-Q315 WeakPolarHBondContact CA-O 3.23Å; L264-Q315 PolarHBondContact N-O 2.89Å; L264-L317 HydrophobicContact CD1-CB 3.74Å; L264-L317 HydrophobicContact CD1-CD2 4.36Å
265P81.1Confident82.4Confident73 Ų7351.4 Ų51.447%0.47428%0.282SS..THydrogen-bonded Turntrans-60.8142.8-175.625.4-31.9000111.4K263 V267 Y291K263-P265 VanDerWaalsContact C-CD 3.42Å; K263-P265 WeakPolarHBondContact O-CD 3.37Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.89Å; P265-Y291 WeakPolarHBondContact CD-OH 3.42Å; P265-Y291 WeakPolarHBondContact CG-OH 3.36Å; P265-Y291 WeakPolarHBondContact O-CE2 3.38Å; P265-Y291 PolarHBondContact O-OH 3.18Å
266G74.2Confident82.4Confident54 Ų5454.2 Ų54.256%0.55730%0.295SS*.THydrogen-bonded Turntrans84.2-17.1-172.500000115.5S268 Q315G266-S268 PolarHBondContact O-N 2.96Å; G266-Q315 VanDerWaalsContact N-NE2 3.16Å
267V77.6Confident82.3Confident5 Ų550.2 Ų50.23%0.0328%0.278CS..  trans-70.7128.2170.91760000110.2L264 P265 S269 L273 A286 L290 Y291 Y310 Q315L264-V267 HydrophobicContact CB-CB 4.25Å; L264-V267 HydrophobicContact CB-CG2 3.95Å; L264-V267 WeakPolarHBondContact O-CB 3.4Å; L264-V267 PolarHBondContact O-N 3.14Å; L264-V267 VanDerWaalsContact O-N 3.14Å; P265-V267 VanDerWaalsContact C-N 3.29Å; P265-V267 PolarHBondContact O-N 2.89Å; V267-S269 WeakPolarHBondContact CG1-O 3.46Å; V267-L273 HydrophobicContact CG1-CD2 4.06Å; V267-L273 HydrophobicContact CG1-CG 4.32Å; V267-L273 HydrophobicContact CG2-CD2 4.34Å; V267-A286 HydrophobicContact CG2-CB 4.29Å; V267-L290 HydrophobicContact CG2-CD1 4.44Å; V267-Y291 HydrophobicContact CG2-CD2 4.38Å; V267-Y310 WeakPolarHBondContact CB-OH 3.43Å; V267-Y310 HydrophobicContact CG1-CE1 4.23Å; V267-Y310 WeakPolarHBondContact CG1-OH 3.37Å; V267-Y310 PolarHBondContact O-OH 3.49Å; V267-Q315 PolarHBondContact O-NE2 2.93Å
268S69.8Low81.7Confident90 Ų9046.4 Ų46.463%0.62927%0.27SS*.  trans-106.4-11.6-175.361.50000114.2G266 K312G266-S268 PolarHBondContact O-N 2.96Å; S268-K312 PolarHBondContact O-NZ 2.57Å
269S73.4Confident81.3Confident20 Ų2052 Ų5214%0.1430%0.296CS..  trans-148.1150.2-176.9-158.30000111.2V267 R271 S272 K312V267-S269 WeakPolarHBondContact CG1-O 3.46Å; S269-R271 PolarHBondContact O-N 3.39Å; S269-S272 PolarHBondContact O-OG 2.95Å; S269-K312 PolarHBondContact OG-NZ 2.78Å
270S75.9Confident80.9Confident62 Ų6254.5 Ų54.543%0.43431%0.309SS..G310 helixtrans-72.7-18170.447.80000112.6S272 L273S270-S272 PolarHBondContact O-N 2.66Å; S270-L273 WeakPolarHBondContact O-CB 3.37Å; S270-L273 PolarHBondContact O-N 2.91Å
271R74.2Confident80.7Confident171 Ų17159.3 Ų59.365%0.64533%0.328SS*.G310 helixtrans-71-14.1-178.6-61.2-165-167.2159.221.2114.7E186 S269E186-R271 IonicContact OE1-CZ 3.79Å; E186-R271 IonicContact OE1-NE 2.71Å; E186-R271 IonicContact OE1-NH1 3.01Å; E186-R271 PolarHBondContact OE1-NH1 2.92Å; E186-R271 IonicContact OE1-NH2 3.73Å; E186-R271 PolarHBondContact OE1-NH2 2.95Å; E186-R271 IonicContact OE2-CZ 3.04Å; E186-R271 IonicContact OE2-NH1 3.05Å; E186-R271 PolarHBondContact OE2-NH1 3.13Å; E186-R271 IonicContact OE2-NH2 2.98Å; E186-R271 PolarHBondContact OE2-NH2 2.74Å; S269-R271 PolarHBondContact O-N 3.39Å
272S72.9Confident80.4Confident31 Ų3155.9 Ų55.922%0.21731%0.312CS..G310 helixtrans-87.5-5.3171.134.30000113S269 S270 A286 R287S269-S272 PolarHBondContact O-OG 2.95Å; S270-S272 PolarHBondContact O-N 2.66Å; S272-A286 CarbonylContact O-C 3.6Å; S272-A286 WeakPolarHBondContact O-CA 3.29Å; S272-R287 WeakPolarHBondContact CB-O 3.38Å; S272-R287 PolarHBondContact O-N 3.49Å
273L82.2Confident80.2Confident27 Ų2757 Ų5714%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-97.4128.5-179.7-55.9-178.5000110.3L264 V267 S270 L284 A286 Y310 L317L264-L273 HydrophobicContact CD1-CD1 3.78Å; L264-L273 HydrophobicContact CD1-CD2 3.92Å; V267-L273 HydrophobicContact CG1-CD2 4.06Å; V267-L273 HydrophobicContact CG1-CG 4.32Å; V267-L273 HydrophobicContact CG2-CD2 4.34Å; S270-L273 WeakPolarHBondContact O-CB 3.37Å; S270-L273 PolarHBondContact O-N 2.91Å; L273-L284 HydrophobicContact CB-CD1 4.21Å; L273-L284 HydrophobicContact CD2-CD1 4.46Å; L273-A286 HydrophobicContact CD2-CB 3.58Å; L273-Y310 HydrophobicContact CD1-CD2 3.77Å; L273-Y310 HydrophobicContact CD1-CE2 4.12Å; L273-Y310 HydrophobicContact CD1-CG 4.06Å; L273-L317 HydrophobicContact CD1-CD1 4.48Å; L273-L317 HydrophobicContact CD1-CD2 4.42Å
274V84.8Confident80.1Confident65 Ų6553.1 Ų53.139%0.39430%0.301SS..EExtended strand (participates in β ladder)trans-111.4122.5166-177.10000106.6L284 T285V274-L284 WeakPolarHBondContact O-CA 3.47Å; V274-L284 WeakPolarHBondContact O-CD1 3.4Å; V274-T285 PolarHBondContact N-O 2.85Å; V274-T285 PolarHBondContact O-N 2.79Å
275L88.6Confident80Confident45 Ų4554.6 Ų54.624%0.23631%0.311CS..EExtended strand (participates in β ladder)trans-126.5120.4-177.4178.878.7000108.6V277 L282 V283 L284 A308 L317 V319L275-V277 HydrophobicContact CD2-CG2 4.32Å; L275-V277 HydrophobicContact CG-CG2 4.39Å; L275-L282 HydrophobicContact CD1-CD1 3.88Å; L275-L282 HydrophobicContact CD1-CG 4.35Å; L275-V283 WeakPolarHBondContact CA-O 3.31Å; L275-L284 HydrophobicContact CB-CD1 4.1Å; L275-L284 HydrophobicContact CD1-CB 4.02Å; L275-L284 HydrophobicContact CD1-CD1 3.94Å; L275-A308 HydrophobicContact CD2-CB 3.66Å; L275-L317 HydrophobicContact CD1-CD2 4.25Å; L275-V319 HydrophobicContact CD1-CG2 4.23Å; L275-V319 HydrophobicContact CD2-CG1 3.99Å; L275-V319 HydrophobicContact CD2-CG2 3.69Å
276D83.1Confident79.7Confident101 Ų10151.2 Ų51.254%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-111.7125.4173.4-60.6-61.2000108.9V283D276-V283 HydrophobicContact CB-CB 4.39Å; D276-V283 PolarHBondContact N-O 3.09Å; D276-V283 PolarHBondContact O-N 3.18Å
277V85.3Confident79.4Confident33 Ų3354 Ų5420%0.228%0.283CS..EExtended strand (participates in β ladder)trans-108119.4176.1-173.90000107.3L275 L282 V301 Q303 V319 M321L275-V277 HydrophobicContact CD2-CG2 4.32Å; L275-V277 HydrophobicContact CG-CG2 4.39Å; V277-L282 HydrophobicContact CB-CD1 4.41Å; V277-L282 HydrophobicContact CG1-CD1 4.48Å; V277-L282 HydrophobicContact CG2-CD1 3.78Å; V277-V301 HydrophobicContact CG1-CG2 3.93Å; V277-Q303 HydrophobicContact CG1-CG 4.43Å; V277-Q303 WeakPolarHBondContact O-CG 2.92Å; V277-Q303 PolarHBondContact O-OE1 3.15Å; V277-V319 HydrophobicContact CG2-CG1 4.41Å; V277-M321 HydrophobicContact CG1-CG 4.23Å; V277-M321 HydrophobicContact CG1-SD 3.89Å
278G74.8Confident78.2Confident22 Ų2257.4 Ų57.423%0.22731%0.305CS..  trans-101.3-172.4169.700000111.8R281 V301G278-R281 WeakPolarHBondContact CA-O 3.44Å; G278-R281 PolarHBondContact N-O 2.94Å; G278-V301 VanDerWaalsContact O-CG2 3.29Å; G278-V301 WeakPolarHBondContact O-CG2 3.38Å
279E79.1Confident77.5Confident119 Ų11955.5 Ų55.556%0.55629%0.291SS*.SBendtrans-65.7-45.3178-62.4-176.1-178.400112H297 L300 V301E279-H297 PolarHBondContact O-CE1 2.83Å; E279-L300 HydrophobicContact CB-CD2 4.1Å; E279-L300 CarbonylContact O-C 3.53Å; E279-L300 VanDerWaalsContact O-CA 3.25Å; E279-L300 WeakPolarHBondContact O-CA 3.35Å; E279-V301 PolarHBondContact O-N 2.73Å
280D81.3Confident77Confident73 Ų7358.5 Ų58.539%0.3931%0.305SS..SBendtrans-125.310.2-175.571.3-27.2000113.6F296 H297 L300D280-F296 CarbonylContact O-C 3.48Å; D280-F296 VanDerWaalsContact O-CA 3.22Å; D280-F296 WeakPolarHBondContact O-CA 3.27Å; D280-H297 PolarHBondContact O-N 3.38Å; D280-L300 HydrophobicContact CB-CD2 4.34Å
281R82.9Confident76.9Confident101 Ų10157.4 Ų57.438%0.38129%0.292SS..EExtended strand (participates in β ladder)trans-142.1136.4-168.6-172.4-175.7179-1561.8112.1G278 V283 D294 I295 F296 H297G278-R281 WeakPolarHBondContact CA-O 3.44Å; G278-R281 PolarHBondContact N-O 2.94Å; R281-V283 HydrophobicContact CG-CG2 4.18Å; R281-D294 IonicContact CZ-OD1 3.74Å; R281-D294 IonicContact CZ-OD2 3.81Å; R281-D294 IonicContact NE-OD1 3.98Å; R281-D294 PolarHBondContact NE-OD1 2.86Å; R281-D294 IonicContact NE-OD2 2.63Å; R281-D294 IonicContact NH2-OD1 3.33Å; R281-D294 PolarHBondContact NH2-OD1 2.87Å; R281-D294 VanDerWaalsContact NH2-OD1 3.15Å; R281-D294 IonicContact NH2-OD2 3.04Å; R281-D294 PolarHBondContact NH2-OD2 2.85Å; R281-I295 CarbonylContact C-O 3.58Å; R281-I295 WeakPolarHBondContact CA-O 3.38Å; R281-F296 HydrophobicContact CB-CD1 3.98Å; R281-F296 HydrophobicContact CB-CE1 4Å; R281-F296 HydrophobicContact CG-CD1 4.2Å; R281-F296 HydrophobicContact CG-CE1 4.02Å; R281-F296 HydrophobicContact CG-CZ 4.23Å; R281-H297 PolarHBondContact N-CE1 2.87Å; R281-H297 PolarHBondContact N-NE2 3.07Å
282L83.1Confident77.3Confident0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-121.7121.3177.5-171.567.3000109.8A260 I262 L275 V277 I295 M321A260-L282 HydrophobicContact CB-CD2 3.6Å; I262-L282 HydrophobicContact CD1-CD2 4.24Å; L275-L282 HydrophobicContact CD1-CD1 3.88Å; L275-L282 HydrophobicContact CD1-CG 4.35Å; V277-L282 HydrophobicContact CB-CD1 4.41Å; V277-L282 HydrophobicContact CG1-CD1 4.48Å; V277-L282 HydrophobicContact CG2-CD1 3.78Å; L282-I295 HydrophobicContact CB-CG1 4.07Å; L282-I295 PolarHBondContact N-O 2.88Å; L282-I295 PolarHBondContact O-N 2.91Å; L282-I295 VanDerWaalsContact O-N 3.07Å; L282-M321 HydrophobicContact CD1-SD 3.97Å; L282-M321 HydrophobicContact CD2-CE 4.23Å
283V85.8Confident77.7Confident23 Ų2350.2 Ų50.214%0.13926%0.262CS..EExtended strand (participates in β ladder)trans-119.3130.6179.2-171.40000110.1L275 D276 R281 L293L275-V283 WeakPolarHBondContact CA-O 3.31Å; D276-V283 HydrophobicContact CB-CB 4.39Å; D276-V283 PolarHBondContact N-O 3.09Å; D276-V283 PolarHBondContact O-N 3.18Å; R281-V283 HydrophobicContact CG-CG2 4.18Å; V283-L293 CarbonylContact C-O 3.59Å; V283-L293 VanDerWaalsContact CA-O 3.27Å; V283-L293 WeakPolarHBondContact CA-O 3.47Å
284L86.3Confident77.9Confident0 Ų052.3 Ų52.30%027%0.274CS..EExtended strand (participates in β ladder)trans-132.2132.9175.817677.5000110.3I262 L264 L273 V274 L275 H292 L293 L317I262-L284 HydrophobicContact CD1-CD2 4.07Å; I262-L284 HydrophobicContact CG2-CD2 3.86Å; L264-L284 HydrophobicContact CD1-CD2 3.82Å; L264-L284 HydrophobicContact CD2-CD2 3.73Å; L264-L284 HydrophobicContact CG-CD2 4.33Å; L273-L284 HydrophobicContact CB-CD1 4.21Å; L273-L284 HydrophobicContact CD2-CD1 4.46Å; V274-L284 WeakPolarHBondContact O-CA 3.47Å; V274-L284 WeakPolarHBondContact O-CD1 3.4Å; L275-L284 HydrophobicContact CB-CD1 4.1Å; L275-L284 HydrophobicContact CD1-CB 4.02Å; L275-L284 HydrophobicContact CD1-CD1 3.94Å; L284-H292 CarbonylContact O-C 3.56Å; L284-H292 WeakPolarHBondContact O-CA 3.39Å; L284-H292 PolarHBondContact O-ND1 2.83Å; L284-L293 HydrophobicContact CB-CB 4.15Å; L284-L293 PolarHBondContact N-O 2.85Å; L284-L293 PolarHBondContact O-N 3.11Å; L284-L317 HydrophobicContact CD1-CD2 3.63Å; L284-L317 HydrophobicContact CD2-CD2 4.03Å; L284-L317 HydrophobicContact CG-CD2 4.47Å
285T83.3Confident77.6Confident32 Ų3251.2 Ų51.220%0.19627%0.265CS..EExtended strand (participates in β ladder)trans-129.1126.1173-64.80000110.4V274 R287 H292V274-T285 PolarHBondContact N-O 2.85Å; V274-T285 PolarHBondContact O-N 2.79Å; T285-R287 HydrophobicContact CG2-CG 4.29Å; T285-H292 PolarHBondContact OG1-ND1 3.07Å
286A76.1Confident77Confident1 Ų155.5 Ų55.51%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-106.6105.7179.900000111.3V267 S272 L273 P288 S289 L290 Y291V267-A286 HydrophobicContact CG2-CB 4.29Å; S272-A286 CarbonylContact O-C 3.6Å; S272-A286 WeakPolarHBondContact O-CA 3.29Å; L273-A286 HydrophobicContact CD2-CB 3.58Å; A286-P288 CarbonylContact O-C 3.59Å; A286-S289 PolarHBondContact O-N 2.87Å; A286-L290 PolarHBondContact O-N 2.87Å; A286-Y291 HydrophobicContact CB-CD2 4.28Å; A286-Y291 PolarHBondContact N-O 3.37Å
287R67.4Low76.8Confident114 Ų11451 Ų5143%0.4326%0.258SS..THydrogen-bonded Turntrans-87.6139.9-175.8-67.8-174.6174175.60.3112.9E121 S272 T285E121-R287 IonicContact OE1-NH2 2.78Å; E121-R287 PolarHBondContact OE1-NH2 3.4Å; E121-R287 IonicContact OE2-CZ 3.56Å; E121-R287 IonicContact OE2-NH2 2.61Å; E121-R287 PolarHBondContact OE2-NH2 3.34Å; S272-R287 WeakPolarHBondContact CB-O 3.38Å; S272-R287 PolarHBondContact O-N 3.49Å; T285-R287 HydrophobicContact CG2-CG 4.29Å
288P51.1Low76.2Confident76 Ų7654.8 Ų54.849%0.49428%0.283SS..THydrogen-bonded Turncis-81106.7-4.332.2-32.3000111.7A286 L290A286-P288 CarbonylContact O-C 3.59Å; P288-L290 VanDerWaalsContact C-N 3.31Å; P288-L290 PolarHBondContact O-N 3.47Å; P288-L290 VanDerWaalsContact O-N 3.09Å
289S56.9Low76.4Confident49 Ų4956.4 Ų56.434%0.34328%0.284SS..THydrogen-bonded Turntrans5433.9157.3-35.30000116.6D122 A286D122-S289 VanDerWaalsContact CG-OG 3.23Å; D122-S289 VanDerWaalsContact OD1-CB 3.31Å; D122-S289 WeakPolarHBondContact OD1-CB 3.25Å; D122-S289 PolarHBondContact OD1-OG 2.81Å; A286-S289 PolarHBondContact O-N 2.87Å
290L61.7Low76.5Confident84 Ų8455.7 Ų55.744%0.4428%0.283SS..THydrogen-bonded Turntrans-85-36178.4-72.9179.1000113.2V267 A286 P288V267-L290 HydrophobicContact CG2-CD1 4.44Å; A286-L290 PolarHBondContact O-N 2.87Å; P288-L290 VanDerWaalsContact C-N 3.31Å; P288-L290 PolarHBondContact O-N 3.47Å; P288-L290 VanDerWaalsContact O-N 3.09Å
291Y73.1Confident76.6Confident39 Ų3952.6 Ų52.615%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-145.3139.2-177.6-65.6-73.5000111.1V240 P242 L264 P265 V267 A286V240-Y291 HydrophobicContact CB-CD1 4.17Å; V240-Y291 HydrophobicContact CB-CE1 4.2Å; V240-Y291 HydrophobicContact CG1-CD1 4.01Å; V240-Y291 HydrophobicContact CG1-CE1 3.67Å; V240-Y291 WeakPolarHBondContact O-CA 3.42Å; V240-Y291 WeakPolarHBondContact O-CD1 3.48Å; P242-Y291 HydrophobicContact CB-CD1 3.64Å; P242-Y291 HydrophobicContact CB-CE1 4.25Å; P242-Y291 HydrophobicContact CB-CG 4.12Å; P242-Y291 HydrophobicContact CG-CD1 4.29Å; L264-Y291 HydrophobicContact CB-CD2 4.42Å; L264-Y291 HydrophobicContact CD2-CD2 3.74Å; L264-Y291 HydrophobicContact CD2-CE2 4.49Å; L264-Y291 HydrophobicContact CD2-CG 3.8Å; P265-Y291 WeakPolarHBondContact CD-OH 3.42Å; P265-Y291 WeakPolarHBondContact CG-OH 3.36Å; P265-Y291 WeakPolarHBondContact O-CE2 3.38Å; P265-Y291 PolarHBondContact O-OH 3.18Å; V267-Y291 HydrophobicContact CG2-CD2 4.38Å; A286-Y291 HydrophobicContact CB-CD2 4.28Å; A286-Y291 PolarHBondContact N-O 3.37Å
292H82.8Confident76.6Confident48 Ų4850.5 Ų50.522%0.22226%0.263CS..EExtended strand (participates in β ladder)trans-128.7135.1162.5-174.954.6000109.1E239 V240 I241 P242 L284 T285E239-H292 HydrophobicContact CB-CB 4.17Å; E239-H292 HydrophobicContact CG-CB 4.37Å; E239-H292 IonicContact OE2-CD2 3.73Å; E239-H292 PolarHBondContact OE2-CD2 2.93Å; E239-H292 IonicContact OE2-CG 2.64Å; V240-H292 PolarHBondContact O-N 3.45Å; I241-H292 WeakPolarHBondContact CA-O 3.38Å; P242-H292 WeakPolarHBondContact CD-O 3.42Å; L284-H292 CarbonylContact O-C 3.56Å; L284-H292 WeakPolarHBondContact O-CA 3.39Å; L284-H292 PolarHBondContact O-ND1 2.83Å; T285-H292 PolarHBondContact OG1-ND1 3.07Å
293L82.3Confident76.6Confident3 Ų354.9 Ų54.92%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-130.9128173.3-175.971.9000107.2I241 P242 C244 I262 V283 L284 I295I241-L293 HydrophobicContact CG2-CD1 3.93Å; P242-L293 HydrophobicContact CG-CB 3.83Å; P242-L293 HydrophobicContact CG-CD1 4.2Å; P242-L293 HydrophobicContact CG-CD2 4.43Å; P242-L293 HydrophobicContact CG-CG 4.38Å; C244-L293 HydrophobicContact CB-CD1 4.12Å; C244-L293 HydrophobicContact CB-CD2 4Å; I262-L293 HydrophobicContact CD1-CD2 3.64Å; I262-L293 HydrophobicContact CG1-CD2 4.03Å; I262-L293 HydrophobicContact CG2-CD2 4.27Å; V283-L293 CarbonylContact C-O 3.59Å; V283-L293 VanDerWaalsContact CA-O 3.27Å; V283-L293 WeakPolarHBondContact CA-O 3.47Å; L284-L293 HydrophobicContact CB-CB 4.15Å; L284-L293 PolarHBondContact N-O 2.85Å; L284-L293 PolarHBondContact O-N 3.11Å; L293-I295 HydrophobicContact CD1-CG2 3.68Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.31Å; L293-I295 HydrophobicContact CG-CD1 4.39Å; L293-I295 HydrophobicContact CG-CG1 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.11Å
294D85.8Confident76.2Confident71 Ų7161.4 Ų61.438%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-135.9106.1170.6-179.512.8000107.1R281R281-D294 IonicContact CZ-OD1 3.74Å; R281-D294 IonicContact CZ-OD2 3.81Å; R281-D294 IonicContact NE-OD1 3.98Å; R281-D294 PolarHBondContact NE-OD1 2.86Å; R281-D294 IonicContact NE-OD2 2.63Å; R281-D294 IonicContact NH2-OD1 3.33Å; R281-D294 PolarHBondContact NH2-OD1 2.87Å; R281-D294 VanDerWaalsContact NH2-OD1 3.15Å; R281-D294 IonicContact NH2-OD2 3.04Å; R281-D294 PolarHBondContact NH2-OD2 2.85Å
295I78.8Confident75.9Confident41 Ų4166.3 Ų66.321%0.2134%0.344CS..EExtended strand (participates in β ladder)trans-133.9141.5-175.859.2173000111.6L246 R281 L282 L293L246-I295 HydrophobicContact CD2-CD1 4.28Å; R281-I295 CarbonylContact C-O 3.58Å; R281-I295 WeakPolarHBondContact CA-O 3.38Å; L282-I295 HydrophobicContact CB-CG1 4.07Å; L282-I295 PolarHBondContact N-O 2.88Å; L282-I295 PolarHBondContact O-N 2.91Å; L282-I295 VanDerWaalsContact O-N 3.07Å; L293-I295 HydrophobicContact CD1-CG2 3.68Å; L293-I295 HydrophobicContact CD2-CD1 4.06Å; L293-I295 HydrophobicContact CD2-CG1 4.31Å; L293-I295 HydrophobicContact CG-CD1 4.39Å; L293-I295 HydrophobicContact CG-CG1 4.24Å; L293-I295 HydrophobicContact CG-CG2 4.11Å
296F77Confident76Confident135 Ų13566.1 Ų66.159%0.59234%0.344SS*.EExtended strand (participates in β ladder)trans-91.2143.3167-67.6-90.9000110.2D280 R281D280-F296 CarbonylContact O-C 3.48Å; D280-F296 VanDerWaalsContact O-CA 3.22Å; D280-F296 WeakPolarHBondContact O-CA 3.27Å; R281-F296 HydrophobicContact CB-CD1 3.98Å; R281-F296 HydrophobicContact CB-CE1 4Å; R281-F296 HydrophobicContact CG-CD1 4.2Å; R281-F296 HydrophobicContact CG-CE1 4.02Å; R281-F296 HydrophobicContact CG-CZ 4.23Å
297H78.2Confident76.4Confident8 Ų869.7 Ų69.74%0.03737%0.365CS..  trans-122.2147.4177.845.476.5000112.2L246 L258 E279 D280 R281 F299L246-H297 HydrophobicContact CD1-CB 4.07Å; L258-H297 HydrophobicContact CD2-CB 3.59Å; E279-H297 PolarHBondContact O-CE1 2.83Å; D280-H297 PolarHBondContact O-N 3.38Å; R281-H297 PolarHBondContact N-CE1 2.87Å; R281-H297 PolarHBondContact N-NE2 3.07Å; H297-F299 PolarHBondContact ND1-O 3.09Å; H297-F299 PolarHBondContact O-N 2.54Å
298P72.9Confident77.5Confident111 Ų11166.8 Ų66.872%0.72137%0.366SS*.SBendtrans-77.810-168.433.1-38.1000114.9
299F78.5Confident79.2Confident56 Ų5669.8 Ų69.825%0.24637%0.373CS..SBendtrans-126.8140.3-179.4-54.8-67.2000109.7V248 P255 L258 H297 V323V248-F299 HydrophobicContact CG2-CE2 3.63Å; V248-F299 HydrophobicContact CG2-CZ 4.15Å; P255-F299 HydrophobicContact CB-CE1 4.17Å; P255-F299 HydrophobicContact CB-CZ 4.34Å; P255-F299 HydrophobicContact CG-CD1 4.03Å; P255-F299 HydrophobicContact CG-CE1 3.69Å; P255-F299 HydrophobicContact CG-CZ 4.31Å; L258-F299 HydrophobicContact CB-CD2 4.5Å; L258-F299 HydrophobicContact CD1-CD2 4.06Å; L258-F299 HydrophobicContact CD1-CE2 4.34Å; L258-F299 HydrophobicContact CD2-CD2 4.42Å; H297-F299 PolarHBondContact ND1-O 3.09Å; H297-F299 PolarHBondContact O-N 2.54Å; F299-V323 HydrophobicContact CB-CG1 4.1Å; F299-V323 HydrophobicContact CB-CG2 4Å; F299-V323 HydrophobicContact CD1-CG1 4.43Å; F299-V323 HydrophobicContact CG-CG1 4.49Å; F299-V323 HydrophobicContact CG-CG2 4.2Å
300L81.8Confident80.7Confident104 Ų10469.1 Ų69.155%0.54536%0.364SS..  trans-75.6126.8166.3-61.1172.7000108.2E279 D280 G324E279-L300 HydrophobicContact CB-CD2 4.1Å; E279-L300 CarbonylContact O-C 3.53Å; E279-L300 VanDerWaalsContact O-CA 3.25Å; E279-L300 WeakPolarHBondContact O-CA 3.35Å; D280-L300 HydrophobicContact CB-CD2 4.34Å; L300-G324 PolarHBondContact O-N 3.07Å
301V82.4Confident81.6Confident9 Ų968.7 Ų68.76%0.05536%0.362CS..BIsolated β-bridgetrans-115.4151.7-176.8-55.20000113.4L258 V277 G278 E279 Q303 M321 P322L258-V301 HydrophobicContact CB-CG1 4.38Å; L258-V301 HydrophobicContact CD2-CG1 4.21Å; V277-V301 HydrophobicContact CG1-CG2 3.93Å; G278-V301 VanDerWaalsContact O-CG2 3.29Å; G278-V301 WeakPolarHBondContact O-CG2 3.38Å; E279-V301 PolarHBondContact O-N 2.73Å; V301-Q303 PolarHBondContact O-N 3.32Å; V301-M321 HydrophobicContact CB-CB 3.9Å; V301-M321 HydrophobicContact CG1-CB 3.87Å; V301-M321 HydrophobicContact CG2-CB 4.13Å; V301-M321 HydrophobicContact CG2-SD 4.4Å; V301-P322 CarbonylContact C-O 3.56Å; V301-P322 VanDerWaalsContact CA-O 3.27Å; V301-P322 WeakPolarHBondContact CA-O 3.36Å; V301-P322 WeakPolarHBondContact CB-O 3.44Å
302D82.8Confident81.8Confident57 Ų5772.5 Ų72.531%0.30538%0.379SS..  trans-78.1103172.6-173.2-32.6000109.9D304 N305 S306 P322D302-D304 PolarHBondContact OD1-N 3.29Å; D302-D304 VanDerWaalsContact OD1-N 3.1Å; D302-N305 HydrophobicContact CB-CB 4.4Å; D302-N305 VanDerWaalsContact CG-ND2 3.3Å; D302-N305 PolarHBondContact OD1-N 3.47Å; D302-N305 PolarHBondContact OD1-ND2 2.73Å; D302-N305 PolarHBondContact OD2-ND2 3.16Å; D302-S306 WeakPolarHBondContact O-CB 3.31Å; D302-S306 PolarHBondContact O-N 2.96Å; D302-S306 PolarHBondContact O-OG 2.79Å; D302-P322 HydrophobicContact CB-CB 4.18Å; D302-P322 HydrophobicContact CB-CG 4.46Å; D302-P322 PolarHBondContact N-O 3.33Å
303Q83.6Confident81.5Confident91 Ų9175.4 Ų75.443%0.42541%0.405SS..SBendtrans-65.1-39.6-179.6-65.5165.171.100112.1V277 V301 N305 S306V277-Q303 HydrophobicContact CG1-CG 4.43Å; V277-Q303 WeakPolarHBondContact O-CG 2.92Å; V277-Q303 PolarHBondContact O-OE1 3.15Å; V301-Q303 PolarHBondContact O-N 3.32Å; Q303-N305 PolarHBondContact O-N 3.33Å; Q303-S306 PolarHBondContact O-N 2.88Å
304D77.6Confident81.4Confident160 Ų16078.9 Ų78.986%0.85643%0.426SS*.THydrogen-bonded Turntrans-70.5-31.7-176.2-76.8-35.7000112.2D302D302-D304 PolarHBondContact OD1-N 3.29Å; D302-D304 VanDerWaalsContact OD1-N 3.1Å
305N80.8Confident81.3Confident104 Ų10478.2 Ų78.256%0.55642%0.421SS*.THydrogen-bonded Turntrans-99.47.4178.5-66.6-73.7000114.1D302 Q303 P322D302-N305 HydrophobicContact CB-CB 4.4Å; D302-N305 VanDerWaalsContact CG-ND2 3.3Å; D302-N305 PolarHBondContact OD1-N 3.47Å; D302-N305 PolarHBondContact OD1-ND2 2.73Å; D302-N305 PolarHBondContact OD2-ND2 3.16Å; Q303-N305 PolarHBondContact O-N 3.33Å; N305-P322 HydrophobicContact CB-CG 3.98Å; N305-P322 WeakPolarHBondContact O-CG 3.4Å
306S84.4Confident81.6Confident27 Ų2778.2 Ų78.219%0.18942%0.421CS..  trans-75.4142.3176-74.40000112.8D302 Q303 T320 M321D302-S306 WeakPolarHBondContact O-CB 3.31Å; D302-S306 PolarHBondContact O-N 2.96Å; D302-S306 PolarHBondContact O-OG 2.79Å; Q303-S306 PolarHBondContact O-N 2.88Å; S306-T320 WeakPolarHBondContact CA-O 3.4Å; S306-M321 WeakPolarHBondContact OG-CA 3.22Å
307V85.3Confident82.1Confident76 Ų7672.2 Ų72.246%0.46140%0.395SS..EExtended strand (participates in β ladder)trans-130.9127.2-174.6-179.40000111.4Q309 T320V307-Q309 HydrophobicContact CG1-CG 4.4Å; V307-T320 PolarHBondContact N-O 3.49Å; V307-T320 PolarHBondContact O-N 3.28Å
308A89.7Confident82.7Confident54 Ų5473.7 Ų73.745%0.44640%0.404SS..EExtended strand (participates in β ladder)trans-109.9136.4175.800000112.2L275 L317 T318 V319L275-A308 HydrophobicContact CD2-CB 3.66Å; A308-L317 HydrophobicContact CB-CD1 4.32Å; A308-T318 CarbonylContact C-O 3.18Å; A308-T318 WeakPolarHBondContact CA-O 3.49Å; A308-V319 HydrophobicContact CB-CG1 4.37Å; A308-V319 HydrophobicContact CB-CG2 4.35Å
309Q86.3Confident83.5Confident138 Ų13868.4 Ų68.465%0.64537%0.37SS*.EExtended strand (participates in β ladder)trans-131.8125.1177.5-59.2-170.921.700110.6V307 T318V307-Q309 HydrophobicContact CG1-CG 4.4Å; Q309-T318 PolarHBondContact N-O 2.73Å; Q309-T318 PolarHBondContact O-N 3.06Å
310Y88.6Confident84Confident36 Ų3667.9 Ų67.914%0.14137%0.372CS..EExtended strand (participates in β ladder)trans-108.7118.4178.2-177.3-109.2000111.8L264 V267 L273 K312 Q315 I316 L317L264-Y310 HydrophobicContact CB-CE2 4.44Å; L264-Y310 HydrophobicContact CD1-CE2 4.2Å; V267-Y310 WeakPolarHBondContact CB-OH 3.43Å; V267-Y310 HydrophobicContact CG1-CE1 4.23Å; V267-Y310 WeakPolarHBondContact CG1-OH 3.37Å; V267-Y310 PolarHBondContact O-OH 3.49Å; L273-Y310 HydrophobicContact CD1-CD2 3.77Å; L273-Y310 HydrophobicContact CD1-CE2 4.12Å; L273-Y310 HydrophobicContact CD1-CG 4.06Å; Y310-K312 HydrophobicContact CD1-CG 4.1Å; Y310-K312 HydrophobicContact CE1-CG 4.02Å; Y310-Q315 WeakPolarHBondContact OH-CA 3.47Å; Y310-I316 WeakPolarHBondContact CD2-O 3.47Å; Y310-L317 HydrophobicContact CD2-CB 3.98Å; Y310-L317 HydrophobicContact CD2-CD1 4.41Å
311N81.2Confident84.4Confident75 Ų7563 Ų6340%0.40135%0.346SS..EExtended strand (participates in β ladder)trans-92.6110.9177.1-176.7-12.4000110.9S313 T314 Q315 I316N311-S313 VanDerWaalsContact C-N 3.31Å; N311-S313 PolarHBondContact O-N 3.19Å; N311-S313 PolarHBondContact OD1-N 3.01Å; N311-S313 PolarHBondContact OD1-OG 3.03Å; N311-T314 WeakPolarHBondContact CB-OG1 3.33Å; N311-T314 VanDerWaalsContact CG-OG1 3.27Å; N311-T314 PolarHBondContact ND2-OG1 3.06Å; N311-Q315 VanDerWaalsContact O-CA 3.26Å; N311-Q315 WeakPolarHBondContact O-CA 3.39Å; N311-Q315 PolarHBondContact O-N 3.29Å; N311-I316 PolarHBondContact N-O 2.82Å; N311-I316 PolarHBondContact O-N 3.21Å
312K76.9Confident84.7Confident119 Ų11963.7 Ų63.752%0.51735%0.351SS..THydrogen-bonded Turntrans-67.5-20.9-178.5-64.1-165.6173.6-146.60115.2S268 S269 Y310S268-K312 PolarHBondContact O-NZ 2.57Å; S269-K312 PolarHBondContact OG-NZ 2.78Å; Y310-K312 HydrophobicContact CD1-CG 4.1Å; Y310-K312 HydrophobicContact CE1-CG 4.02Å
313S76.1Confident85Confident108 Ų10862.2 Ų62.276%0.75534%0.344SS*.THydrogen-bonded Turntrans-92.2-27.9-178.464.70000113.5N311N311-S313 VanDerWaalsContact C-N 3.31Å; N311-S313 PolarHBondContact O-N 3.19Å; N311-S313 PolarHBondContact OD1-N 3.01Å; N311-S313 PolarHBondContact OD1-OG 3.03Å
314T81.3Confident84.7Confident76 Ų7659.6 Ų59.647%0.46634%0.341SS..THydrogen-bonded Turntrans-95.3-15171.360.10000113N311 I316N311-T314 WeakPolarHBondContact CB-OG1 3.33Å; N311-T314 VanDerWaalsContact CG-OG1 3.27Å; N311-T314 PolarHBondContact ND2-OG1 3.06Å; T314-I316 VanDerWaalsContact C-N 3.27Å; T314-I316 PolarHBondContact O-N 3.3Å
315Q82.9Confident84Confident57 Ų5757.7 Ų57.727%0.26634%0.341SS..THydrogen-bonded Turntrans59.333.7-173.5-52.3-172.2-66.800113.4L264 G266 V267 Y310 N311L264-Q315 CarbonylContact C-O 3.58Å; L264-Q315 WeakPolarHBondContact CA-O 3.23Å; L264-Q315 PolarHBondContact N-O 2.89Å; G266-Q315 VanDerWaalsContact N-NE2 3.16Å; V267-Q315 PolarHBondContact O-NE2 2.93Å; Y310-Q315 WeakPolarHBondContact OH-CA 3.47Å; N311-Q315 VanDerWaalsContact O-CA 3.26Å; N311-Q315 WeakPolarHBondContact O-CA 3.39Å; N311-Q315 PolarHBondContact O-N 3.29Å
316I85.9Confident82.5Confident41 Ų4158.4 Ų58.421%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-106.6134.5178.7-58.6176.1000109.9E261 I262 K263 Y310 N311 T314E261-I316 HydrophobicContact CB-CG2 4.39Å; I262-I316 WeakPolarHBondContact O-CA 3.15Å; K263-I316 HydrophobicContact CG-CG1 4.35Å; Y310-I316 WeakPolarHBondContact CD2-O 3.47Å; N311-I316 PolarHBondContact N-O 2.82Å; N311-I316 PolarHBondContact O-N 3.21Å; T314-I316 VanDerWaalsContact C-N 3.27Å; T314-I316 PolarHBondContact O-N 3.3Å
317L86.8Confident80.4Confident9 Ų960.2 Ų60.25%0.04738%0.376CS..EExtended strand (participates in β ladder)trans-97.1122.9163.9179.368.2000108.8I262 L264 L273 L275 L284 A308 Y310 V319I262-L317 HydrophobicContact CB-CB 4.41Å; I262-L317 HydrophobicContact CD1-CD2 4.29Å; I262-L317 PolarHBondContact N-O 3.15Å; I262-L317 PolarHBondContact O-N 3.16Å; L264-L317 HydrophobicContact CD1-CB 3.74Å; L264-L317 HydrophobicContact CD1-CD2 4.36Å; L273-L317 HydrophobicContact CD1-CD1 4.48Å; L273-L317 HydrophobicContact CD1-CD2 4.42Å; L275-L317 HydrophobicContact CD1-CD2 4.25Å; L284-L317 HydrophobicContact CD1-CD2 3.63Å; L284-L317 HydrophobicContact CD2-CD2 4.03Å; L284-L317 HydrophobicContact CG-CD2 4.47Å; A308-L317 HydrophobicContact CB-CD1 4.32Å; Y310-L317 HydrophobicContact CD2-CB 3.98Å; Y310-L317 HydrophobicContact CD2-CD1 4.41Å; L317-V319 HydrophobicContact CD2-CG2 4.13Å; L317-V319 HydrophobicContact CG-CG2 4.01Å
318T90.1Very high78.2Confident39 Ų3966.4 Ų66.424%0.23942%0.418CS..EExtended strand (participates in β ladder)trans-108123.1172.1-53.20000108.4I259 A260 E261 A308 Q309I259-T318 HydrophobicContact CG2-CG2 3.7Å; A260-T318 CarbonylContact O-C 3.55Å; A260-T318 WeakPolarHBondContact O-CA 3.2Å; E261-T318 HydrophobicContact CG-CG2 4.35Å; A308-T318 CarbonylContact C-O 3.18Å; A308-T318 WeakPolarHBondContact CA-O 3.49Å; Q309-T318 PolarHBondContact N-O 2.73Å; Q309-T318 PolarHBondContact O-N 3.06Å
319V90.4Very high77.6Confident1 Ų167 Ų671%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-114.3116.3176.4-165.50000108.5I259 A260 L275 V277 A308 L317 M321I259-V319 CarbonylContact C-O 3.58Å; I259-V319 VanDerWaalsContact CA-O 3.31Å; I259-V319 WeakPolarHBondContact CA-O 3.27Å; A260-V319 HydrophobicContact CB-CB 4.32Å; A260-V319 PolarHBondContact N-O 3.46Å; A260-V319 PolarHBondContact O-N 2.99Å; L275-V319 HydrophobicContact CD1-CG2 4.23Å; L275-V319 HydrophobicContact CD2-CG1 3.99Å; L275-V319 HydrophobicContact CD2-CG2 3.69Å; V277-V319 HydrophobicContact CG2-CG1 4.41Å; A308-V319 HydrophobicContact CB-CG1 4.37Å; A308-V319 HydrophobicContact CB-CG2 4.35Å; L317-V319 HydrophobicContact CD2-CG2 4.13Å; L317-V319 HydrophobicContact CG-CG2 4.01Å; V319-M321 HydrophobicContact CG1-CG 3.83Å; V319-M321 HydrophobicContact CG1-SD 4.14Å
320T89.1Confident77.1Confident45 Ų4563.3 Ų63.328%0.27641%0.405SS..EExtended strand (participates in β ladder)trans-102.8115.7177.4-580000108.8Y257 I259 S306 V307Y257-T320 HydrophobicContact CD1-CG2 3.97Å; Y257-T320 HydrophobicContact CG-CG2 4.46Å; I259-T320 HydrophobicContact CG1-CG2 4.3Å; S306-T320 WeakPolarHBondContact CA-O 3.4Å; V307-T320 PolarHBondContact N-O 3.49Å; V307-T320 PolarHBondContact O-N 3.28Å
321M91.1Very high76.5Confident0 Ų064.8 Ų64.80%042%0.419CS..EExtended strand (participates in β ladder)trans-120113.2-172.9-59.2168-76.900108.7Y257 L258 A260 V277 L282 V301 S306 V319 V323Y257-M321 WeakPolarHBondContact CA-O 3.43Å; L258-M321 HydrophobicContact CB-CE 4.31Å; L258-M321 HydrophobicContact CD2-CE 3.74Å; L258-M321 HydrophobicContact CG-CE 3.78Å; L258-M321 PolarHBondContact N-O 2.94Å; L258-M321 PolarHBondContact O-N 2.7Å; A260-M321 HydrophobicContact CB-CE 3.95Å; V277-M321 HydrophobicContact CG1-CG 4.23Å; V277-M321 HydrophobicContact CG1-SD 3.89Å; L282-M321 HydrophobicContact CD1-SD 3.97Å; L282-M321 HydrophobicContact CD2-CE 4.23Å; V301-M321 HydrophobicContact CB-CB 3.9Å; V301-M321 HydrophobicContact CG1-CB 3.87Å; V301-M321 HydrophobicContact CG2-CB 4.13Å; V301-M321 HydrophobicContact CG2-SD 4.4Å; S306-M321 WeakPolarHBondContact OG-CA 3.22Å; V319-M321 HydrophobicContact CG1-CG 3.83Å; V319-M321 HydrophobicContact CG1-SD 4.14Å; M321-V323 PolarHBondContact O-N 3.17Å
322P88.6Confident76.2Confident25 Ų2564.2 Ų64.216%0.16242%0.42CS..EExtended strand (participates in β ladder)trans-62.7133.8176.7-1830.4000110.3Y257 V301 D302 N305 G324Y257-P322 HydrophobicContact CD1-CB 4.19Å; Y257-P322 HydrophobicContact CD1-CG 4.28Å; Y257-P322 HydrophobicContact CE1-CB 4.11Å; Y257-P322 HydrophobicContact CE1-CG 4.12Å; V301-P322 CarbonylContact C-O 3.56Å; V301-P322 VanDerWaalsContact CA-O 3.27Å; V301-P322 WeakPolarHBondContact CA-O 3.36Å; V301-P322 WeakPolarHBondContact CB-O 3.44Å; D302-P322 HydrophobicContact CB-CB 4.18Å; D302-P322 HydrophobicContact CB-CG 4.46Å; D302-P322 PolarHBondContact N-O 3.33Å; N305-P322 HydrophobicContact CB-CG 3.98Å; N305-P322 WeakPolarHBondContact O-CG 3.4Å; P322-G324 PolarHBondContact O-N 3.24Å
323V89.1Confident76.2Confident26 Ų2660.8 Ų60.816%0.15841%0.414CS..BIsolated β-bridgetrans-77.6124.1176.5175.40000108.9P255 E256 L258 F299 M321 S325P255-V323 HydrophobicContact CB-CG2 4.32Å; P255-V323 HydrophobicContact CG-CG1 4.36Å; E256-V323 PolarHBondContact O-N 3.22Å; L258-V323 HydrophobicContact CB-CG2 4.29Å; F299-V323 HydrophobicContact CB-CG1 4.1Å; F299-V323 HydrophobicContact CB-CG2 4Å; F299-V323 HydrophobicContact CD1-CG1 4.43Å; F299-V323 HydrophobicContact CG-CG1 4.49Å; F299-V323 HydrophobicContact CG-CG2 4.2Å; M321-V323 PolarHBondContact O-N 3.17Å; V323-S325 PolarHBondContact O-N 2.94Å
324G77.1Confident76.2Confident36 Ų3657.6 Ų57.637%0.37139%0.391SS..PPolyproline II helixtrans-62.1117.2174.800000109.8L300 P322 S326L300-G324 PolarHBondContact O-N 3.07Å; P322-G324 PolarHBondContact O-N 3.24Å; G324-S326 PolarHBondContact O-N 2.95Å; G324-S326 VanDerWaalsContact O-N 3.09Å
325S61.6Low75.8Confident120 Ų12056.3 Ų56.384%0.83939%0.386SS*.  trans-66112.6177.447.30000109.8V323 G327V323-S325 PolarHBondContact O-N 2.94Å; S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.27Å
326S50.9Low75.3Confident119 Ų11956.2 Ų56.283%0.83240%0.395SS*.  trans-6891.617247.40000109.6G324G324-S326 PolarHBondContact O-N 2.95Å; G324-S326 VanDerWaalsContact O-N 3.09Å
327G39.7Very low74.4Confident64 Ų6457.5 Ų57.566%0.6641%0.411SS*.  trans-56.3140.8172.700000111.3S325S325-G327 VanDerWaalsContact C-N 3.31Å; S325-G327 PolarHBondContact O-N 3.27Å
328P38.3Very low73.3Confident206 Ų20661.9 Ų61.9100%1.33844%0.444SS*.  trans-74.80-178.832.8-37.1000113.7

Retrieved 328 of 328 residues in 333.1 ms (Link to these results)