A0A096N3G3_PAPAN Loading...

Membrane frizzled-related protein

AlphaFold DB , UniProt , Accession A0A096N3G3, Species PAPAN (Papio anubis, Olive baboon), Gene MFRP, Length 579 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
1M32.5Very low30.9Very low240 Ų240159 Ų159100%1.18284%0.835SS**  0118.10-125.3-174.5-177.200105.8
2K31.9Very low30.9Very low190 Ų190161.3 Ų161.383%0.82684%0.838SS**  trans62.1116.8-171.2-61.1-177.7175.8-176.50113.4
3D34.9Very low30.8Very low140 Ų140155.6 Ų155.675%0.74983%0.829SS**  71.5109.257.6-59.5-46.2000112.4
4Y31.7Very low30.7Very low229 Ų229153.5 Ų153.590%0.89883%0.825SS**  trans-144.3109.5131.9-123.6-79.4000108.4
5S34.8Very low30.8Very low93 Ų93154.9 Ų154.965%0.6583%0.825SS**  trans-84.9145.2164.1-54.90000108.4
6D34.7Very low30.6Very low157 Ų157151.6 Ų151.684%0.8482%0.817SS**  -159.3140.6127.9-100.1-29.9000109.6
7V29.6Very low30.3Very low120 Ų120149.2 Ų149.273%0.72782%0.815SS**  trans-123.1131.2-178.4173.20000107.9L9V7-L9 HydrophobicContact CG1-CD1 4.41Å; V7-L9 HydrophobicContact CG1-CG 4.5Å
8I27.9Very low30.3Very low173 Ų173151.2 Ų151.289%0.88782%0.815SS**  trans-118.6128.6166.9-63.7-179.7000108.2
9L29.5Very low30Very low152 Ų152149.5 Ų149.580%0.79681%0.81SS**  trans-136.6129-176.8-112.8170.9000108.1V7V7-L9 HydrophobicContact CG1-CD1 4.41Å; V7-L9 HydrophobicContact CG1-CG 4.5Å
10C24.4Very low29.8Very low122 Ų122151.9 Ų151.982%0.82482%0.816SS**  trans170.7150162.9-94.40000108.9
11V28.2Very low29.4Very low133 Ų133154.2 Ų154.281%0.80682%0.819SS**  cis-165.3158.6-21.5113.20000107.3
12E30.5Very low29Very low186 Ų186149.1 Ų149.187%0.86981%0.805SS**  trans-88.8151.2175.6-60173.8103.400113.2
13A30Very low28.7Very low88 Ų88147 Ų14773%0.72780%0.803SS**  trans-178.2108.6147.500000115.9
14T29.2Very low28.7Very low126 Ų126145.9 Ų145.977%0.77380%0.804SS**  41.813412958.60000125.9
15E32.7Very low28.2Very low175 Ų175138.6 Ų138.682%0.81879%0.791SS**  trans86.9102.4130.4-78.5-170.416500125.7
16S26.8Very low27.7Very low101 Ų101143 Ų14371%0.70680%0.799SS**  69.5140.5111.291.30000125
17S26.5Very low27.4Very low111 Ų111143.6 Ų143.678%0.77680%0.796SS**  trans132.8146.8148.768.80000113.4
18K29Very low28Very low186 Ų186142.9 Ų142.981%0.80979%0.794SS**  cis-157146.5-13.5-126.1179.4179.1177.40111.4
19T26.3Very low28.1Very low118 Ų118143.4 Ų143.472%0.72479%0.793SS**  trans20.2131.8148.554.30000121.8
20E24.9Very low28Very low198 Ų198142.1 Ų142.193%0.92580%0.796SS**  -157.6163.3103.4-119174.4-163.300112.8
21F22.5Very low28.1Very low200 Ų200139.8 Ų139.888%0.87779%0.793SS**  trans-150.1121.7-169.6-151.1-70.6000109.9
22C22.6Very low28.4Very low133 Ų133139.1 Ų139.190%0.89979%0.791SS**  trans-165139.8165.8-103.10000112.2
23N27.2Very low28.1Very low145 Ų145135.6 Ų135.678%0.77579%0.787SS**  trans-158.5128.9167.6-176.35.3000107.2
24P33.3Very low28Very low118 Ų118137.3 Ų137.377%0.76679%0.792SS**  -152.6133122.434.6-15.7000117.4
25A22.8Very low28.2Very low76 Ų76137.2 Ų137.263%0.62879%0.794SS**  67.9145.2129.600000124.4
26F24.1Very low28.8Very low186 Ų186134.5 Ų134.582%0.81679%0.791SS**  trans73.3101.8164.2-71.9-76.1000121.7
27E27Very low29.1Very low169 Ų169135.9 Ų135.979%0.7980%0.798SS**  41.4160.7125.1-72.4-169.4-17600124
28P43.5Very low29.1Very low104 Ų104134.9 Ų134.968%0.67580%0.796SS**  cis-139.5-169.7-33.239.8-21.2000114.5
29E28.5Very low29Very low185 Ų185135 Ų13586%0.86480%0.797SS**  trans55.9125.1160.2-64.9-147.3130.600123.4
30S28.2Very low29.1Very low125 Ų125135 Ų13587%0.87480%0.799SS**  167.3152.1110.947.50000113.4
31G26.9Very low29.4Very low73 Ų73133.5 Ų133.575%0.75379%0.792SS**  trans-99.8-150-175.800000115
32P34.3Very low29.8Very low118 Ų118131.3 Ų131.377%0.76679%0.79SS**  cis-144.6169.76.242.8-23.9000118.7
33S24.9Very low30.1Very low113 Ų113128.4 Ų128.479%0.7978%0.775SS**  trans60.9138.3144.260.60000124.1
34C26.9Very low30.1Very low123 Ų123126.1 Ų126.183%0.83177%0.771SS**  trans-83.1172.8178.8-46.80000115
35P32.6Very low29.6Very low125 Ų125131.2 Ų131.281%0.81278%0.776SS**  -145.3163.2105.539-25.4000116.8
36P45.6Very low29.6Very low117 Ų117133.3 Ų133.376%0.7679%0.786SS**  trans-95.3166.3175.940.3-37000113.6
37P34Very low29.8Very low130 Ų130130.5 Ų130.584%0.84478%0.784SS**  -144.7-159.291.339.7-19.9000111.9
38A25.3Very low29.9Very low90 Ų90128.4 Ų128.474%0.74479%0.785SS**  cis-157.3-176.48.100000112.3
39F28.3Very low29.3Very low190 Ų190127.6 Ų127.683%0.83379%0.787SS**  trans-105.1169.8167.2-88.5-96.6000112.3
40P28.8Very low29.7Very low116 Ų116123.7 Ų123.775%0.75378%0.778SS**  -146.4162120.738.5-23.7000116.8
41E29.5Very low29.6Very low168 Ų168128.4 Ų128.479%0.78578%0.777SS**  trans-100.6-178.3177.7-4494.9119.100112.2
42D31.3Very low29.6Very low154 Ų154133.3 Ų133.382%0.82478%0.78SS**  cis-147.9-150.96.2-164.527.2000107.6
43A29Very low29.3Very low71 Ų71131.4 Ų131.459%0.58778%0.781SS**  cis-160.5155.29.300000117
44S26.9Very low29.4Very low98 Ų98138 Ų13869%0.68579%0.789SS**  trans61.3101.3144.3650000123.5
45Y23.8Very low29.5Very low224 Ų224143.4 Ų143.488%0.87879%0.791SS**  55.5123.4122.9-89.6-87.4000124.6
46S22Very low29.5Very low120 Ų120143.5 Ų143.584%0.83979%0.792SS**  -168.715712638.40000112.4
47V28.2Very low28.7Very low127 Ų127149.6 Ų149.677%0.7780%0.8SS**  trans-148128.2-170.9168.80000108.8
48P29.2Very low28.5Very low125 Ų125146.8 Ų146.881%0.81279%0.794SS**  -148.8174.194.437.6-17.6000117
49A30.8Very low28.8Very low88 Ų88150.7 Ų150.773%0.72780%0.802SS**  trans-85.1-169.917800000112
50P38.2Very low28.8Very low103 Ų103151 Ų15167%0.66980%0.798SS**  cis-147.5-175.41030.6-2.9000119.1
51W25.7Very low29.2Very low224 Ų224151 Ų15185%0.84880%0.797SS**  trans81.7148.7156.9-66114.4000123.3
52H25.8Very low29.5Very low176 Ų176148.6 Ų148.682%0.81579%0.79SS**  trans63.7110168.3-64.2-63.5000119.4
53G28.4Very low30Very low77 Ų77145.8 Ų145.879%0.79478%0.781SS**  trans-85.5177.9-177.500000116
54R28.3Very low30.6Very low253 Ų253153.9 Ų153.996%0.95580%0.797SS**  trans-137.6150.5167.7-82.3-173.3172.5-152.6-3.5110.5
55R28.7Very low31.7Very low235 Ų235156.7 Ų156.789%0.88780%0.797SS**PPolyproline II helixtrans-63.9152.8179.7-55.8176.9-176.5-178-1.9111.4
56P31Very low33.7Very low127 Ų127149.1 Ų149.183%0.82578%0.777SS**PPolyproline II helixtrans-52.2151.5157-22.634.3000110.9
57R29.8Very low36Very low246 Ų246153.4 Ų153.493%0.92877%0.774SS**PPolyproline II helixtrans-78.5123.8-178.5-67.7173.8176.4152.4-1.9109.6
58G29.8Very low38.1Very low70 Ų70152.9 Ų152.972%0.72277%0.767SS**PPolyproline II helixtrans-63.3158.5164.100000111.4
59L31.8Very low40Very low172 Ų172149.6 Ų149.690%0.90175%0.746SS**PPolyproline II helixtrans-55.9144176.7-85.863.7000110.8P61L59-P61 WeakPolarHBondContact O-CD 3.26Å
60R28.1Very low42.4Very low198 Ų198149.5 Ų149.575%0.74774%0.736SS**PPolyproline II helixtrans-87.4117.7170.3-113.7-165.9-175-171.94.2109.1D62R60-D62 WeakPolarHBondContact CD-OD2 3.04Å; R60-D62 IonicContact NH1-OD1 3.7Å; R60-D62 IonicContact NH1-OD2 3.8Å; R60-D62 PolarHBondContact NH1-OD2 3.1Å; R60-D62 PolarHBondContact O-N 2.86Å; R60-D62 VanDerWaalsContact O-N 3.15Å
61P36.7Very low44.6Very low114 Ų114149.6 Ų149.674%0.7473%0.731SS**  trans-76.793.7159.431-31000108.1L59 C63L59-P61 WeakPolarHBondContact O-CD 3.26Å; P61-C63 PolarHBondContact O-N 2.7Å
62D36.5Very low47.5Very low118 Ų118144.4 Ų144.463%0.63172%0.719SS**  trans-75.946173.1-100.4-48.5000111.7R60 R64R60-D62 WeakPolarHBondContact CD-OD2 3.04Å; R60-D62 IonicContact NH1-OD1 3.7Å; R60-D62 IonicContact NH1-OD2 3.8Å; R60-D62 PolarHBondContact NH1-OD2 3.1Å; R60-D62 PolarHBondContact O-N 2.86Å; R60-D62 VanDerWaalsContact O-N 3.15Å; D62-R64 PolarHBondContact O-N 2.79Å
63C41.2Very low50.5Low95 Ų95141.2 Ų141.264%0.64271%0.707SS**  trans-89.889.1170.2-72.30000109.9P61 F65P61-C63 PolarHBondContact O-N 2.7Å; C63-F65 HydrophobicContact CB-CD2 4.2Å; C63-F65 HydrophobicContact CB-CE2 4.46Å; C63-F65 PolarHBondContact O-N 3.21Å
64R41.8Very low53.6Low242 Ų242139.7 Ų139.791%0.91369%0.687SS**  trans-68.979.2162.6-76.8-169.3175.2-158.80.4110.1D62 S66D62-R64 PolarHBondContact O-N 2.79Å; R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 PolarHBondContact O-N 3.5Å
65F51Low56.5Low157 Ų157131.1 Ų131.169%0.68967%0.666SS**  trans-5896.9159.2-93.7-88.1000108.1C63 W67C63-F65 HydrophobicContact CB-CD2 4.2Å; C63-F65 HydrophobicContact CB-CE2 4.46Å; C63-F65 PolarHBondContact O-N 3.21Å; F65-W67 PolarHBondContact O-N 2.8Å
66S65Low59.6Low65 Ų65124.6 Ų124.646%0.45565%0.648SS.*  trans-63.7134.6179.3-176.50000109R64 L68 C69R64-S66 VanDerWaalsContact C-N 3.28Å; R64-S66 PolarHBondContact O-N 3.5Å; S66-L68 PolarHBondContact O-N 2.76Å; S66-C69 WeakPolarHBondContact O-CB 3.15Å; S66-C69 PolarHBondContact O-N 3.31Å
67W69.9Low62.6Low210 Ų210123.7 Ų123.780%0.79564%0.636SS**Hα-helixtrans-57.1-23.1176.2-78.471.1000112.2F65 C69 V70 L71F65-W67 PolarHBondContact O-N 2.8Å; W67-C69 VanDerWaalsContact C-N 3.3Å; W67-C69 PolarHBondContact O-N 3.06Å; W67-V70 PolarHBondContact O-N 3.34Å; W67-L71 WeakPolarHBondContact O-CB 3.44Å; W67-L71 VanDerWaalsContact O-CG 3.25Å; W67-L71 WeakPolarHBondContact O-CG 3.35Å; W67-L71 PolarHBondContact O-N 3.1Å
68L71.7Confident65.7Low116 Ų116117.9 Ų117.961%0.60762%0.622SS**Hα-helixtrans-55.3-40.9168.3-98.684.2000113S66 L71 L72S66-L68 PolarHBondContact O-N 2.76Å; L68-L71 PolarHBondContact O-N 2.99Å; L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 WeakPolarHBondContact O-CD1 3.33Å; L68-L72 WeakPolarHBondContact O-CG 3.06Å; L68-L72 PolarHBondContact O-N 2.94Å
69C69.5Low68.8Low55 Ų55119.9 Ų119.937%0.37262%0.616SS.*Hα-helixtrans-66.8-45-177-170.90000110.9S66 W67 L71 L72 L73S66-C69 WeakPolarHBondContact O-CB 3.15Å; S66-C69 PolarHBondContact O-N 3.31Å; W67-C69 VanDerWaalsContact C-N 3.3Å; W67-C69 PolarHBondContact O-N 3.06Å; C69-L71 VanDerWaalsContact C-N 3.34Å; C69-L71 PolarHBondContact O-N 3.39Å; C69-L72 PolarHBondContact O-N 2.97Å; C69-L73 WeakPolarHBondContact O-CB 3.33Å; C69-L73 WeakPolarHBondContact O-CG 3.05Å; C69-L73 PolarHBondContact O-N 2.81Å
70V81Confident71.7Confident86 Ų86116.1 Ų116.152%0.52160%0.596SS.*Hα-helixtrans-61.6-42.8174.8-1770000111W67 A74W67-V70 PolarHBondContact O-N 3.34Å; V70-A74 VanDerWaalsContact O-CB 3.26Å; V70-A74 WeakPolarHBondContact O-CB 3.49Å; V70-A74 PolarHBondContact O-N 3.28Å
71L85.8Confident74.8Confident106 Ų106111 Ų11156%0.55558%0.583SS**Hα-helixtrans-67.3-38.1177.6-71168.9000112.8W67 L68 C69 S75W67-L71 WeakPolarHBondContact O-CB 3.44Å; W67-L71 VanDerWaalsContact O-CG 3.25Å; W67-L71 WeakPolarHBondContact O-CG 3.35Å; W67-L71 PolarHBondContact O-N 3.1Å; L68-L71 PolarHBondContact O-N 2.99Å; C69-L71 VanDerWaalsContact C-N 3.34Å; C69-L71 PolarHBondContact O-N 3.39Å; L71-S75 VanDerWaalsContact O-CB 3.31Å; L71-S75 WeakPolarHBondContact O-CB 3.37Å; L71-S75 PolarHBondContact O-N 3.44Å; L71-S75 PolarHBondContact O-OG 3.15Å
72L86.8Confident77.5Confident114 Ų114107.6 Ų107.660%0.59757%0.568SS**Hα-helixtrans-66.3-46.2176.1-78165.2000111.4L68 C69 S75 L76L68-L72 VanDerWaalsContact O-CB 3.3Å; L68-L72 WeakPolarHBondContact O-CB 3.39Å; L68-L72 WeakPolarHBondContact O-CD1 3.33Å; L68-L72 WeakPolarHBondContact O-CG 3.06Å; L68-L72 PolarHBondContact O-N 2.94Å; C69-L72 PolarHBondContact O-N 2.97Å; L72-S75 PolarHBondContact O-N 2.95Å; L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 PolarHBondContact O-N 2.95Å
73L88.3Confident80.2Confident110 Ų110106.4 Ų106.458%0.57656%0.561SS**Hα-helixtrans-64.5-41.2176.3-69.1171.1000111.8C69 L76 L77C69-L73 WeakPolarHBondContact O-CB 3.33Å; C69-L73 WeakPolarHBondContact O-CG 3.05Å; C69-L73 PolarHBondContact O-N 2.81Å; L73-L76 PolarHBondContact O-N 3.05Å; L73-L77 WeakPolarHBondContact O-CB 3.35Å; L73-L77 PolarHBondContact O-N 2.87Å
74A92.6Very high82.6Confident44 Ų44106.6 Ų106.636%0.36456%0.556SS.*Hα-helixtrans-63.8-40.8174.400000112.3V70 L77 L78V70-A74 VanDerWaalsContact O-CB 3.26Å; V70-A74 WeakPolarHBondContact O-CB 3.49Å; V70-A74 PolarHBondContact O-N 3.28Å; A74-L77 PolarHBondContact O-N 3.46Å; A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 VanDerWaalsContact O-CG 3.3Å; A74-L78 WeakPolarHBondContact O-CG 3.34Å; A74-L78 PolarHBondContact O-N 2.94Å
75S90.4Very high85Confident73 Ų7399 Ų9951%0.5154%0.536SS..Hα-helixtrans-67-39.8176.7-60.90000112L71 L72 L78 L79L71-S75 VanDerWaalsContact O-CB 3.31Å; L71-S75 WeakPolarHBondContact O-CB 3.37Å; L71-S75 PolarHBondContact O-N 3.44Å; L71-S75 PolarHBondContact O-OG 3.15Å; L72-S75 PolarHBondContact O-N 2.95Å; S75-L78 PolarHBondContact O-N 2.76Å; S75-L79 WeakPolarHBondContact O-CB 3.28Å; S75-L79 PolarHBondContact O-N 3.23Å
76L93.4Very high86.6Confident99 Ų9994.1 Ų94.152%0.51852%0.524SS..Hα-helixtrans-63.5-45.5174.7-17664.8000111.3L72 L73 L78 L79 L80L72-L76 WeakPolarHBondContact O-CB 3.31Å; L72-L76 PolarHBondContact O-N 2.95Å; L73-L76 PolarHBondContact O-N 3.05Å; L76-L78 PolarHBondContact O-N 2.85Å; L76-L79 PolarHBondContact O-N 2.03Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.26Å
77L93.4Very high87.6Confident108 Ų10895.8 Ų95.857%0.56553%0.527SS*.Hα-helixtrans-60.8-44.7177.1-174.866.8000111.8L73 A74 L79 L80 L81L73-L77 WeakPolarHBondContact O-CB 3.35Å; L73-L77 PolarHBondContact O-N 2.87Å; A74-L77 PolarHBondContact O-N 3.46Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.98Å; L77-L80 PolarHBondContact O-N 3.47Å; L77-L81 HydrophobicContact CG-CD1 4.18Å; L77-L81 WeakPolarHBondContact O-CB 3.14Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 2.97Å; L77-L81 PolarHBondContact O-N 3.44Å
78L94.8Very high88.1Confident123 Ų12389.9 Ų89.964%0.64451%0.51SS*.Hα-helixtrans-64.1-37176.2-73.2169.2000112.6A74 S75 L76 G82A74-L78 WeakPolarHBondContact O-CB 3.39Å; A74-L78 VanDerWaalsContact O-CG 3.3Å; A74-L78 WeakPolarHBondContact O-CG 3.34Å; A74-L78 PolarHBondContact O-N 2.94Å; S75-L78 PolarHBondContact O-N 2.76Å; L76-L78 PolarHBondContact O-N 2.85Å; L78-G82 PolarHBondContact O-N 2.94Å
79L94.5Very high88.4Confident112 Ų11289 Ų8959%0.58651%0.506SS*.Hα-helixtrans-70.8-39.1177.8-168.5148.8000111.7S75 L76 L77 G82 L83S75-L79 WeakPolarHBondContact O-CB 3.28Å; S75-L79 PolarHBondContact O-N 3.23Å; L76-L79 PolarHBondContact O-N 2.03Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.98Å; L79-G82 PolarHBondContact O-N 2.59Å; L79-L83 HydrophobicContact CD2-CD1 3.9Å; L79-L83 PolarHBondContact O-N 3.13Å
80L92.9Very high88.5Confident94 Ų9489 Ų8949%0.49251%0.51SS..Hα-helixtrans-64.6-44.5172.5-71.3169.7000111.8L76 L77 G82 L83 L84L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 3.26Å; L77-L80 PolarHBondContact O-N 3.47Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 2.9Å; L80-L83 PolarHBondContact O-N 3.36Å; L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 PolarHBondContact O-N 3.37Å
81L94.6Very high88.1Confident91 Ų9191.6 Ų91.648%0.47652%0.516SS..Hα-helixtrans-61.6-40.3174-73.3167.9000111.8L77 L84 V85L77-L81 HydrophobicContact CG-CD1 4.18Å; L77-L81 WeakPolarHBondContact O-CB 3.14Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 2.97Å; L77-L81 PolarHBondContact O-N 3.44Å; L81-L84 PolarHBondContact O-N 2.03Å; L81-V85 WeakPolarHBondContact O-CG2 3.41Å; L81-V85 PolarHBondContact O-N 3.31Å
82G93.3Very high86.9Confident41 Ų4192.8 Ų92.842%0.42352%0.522SS..Hα-helixtrans-61.5-43.3174.500000113L78 L79 L80 A86L78-G82 PolarHBondContact O-N 2.94Å; L79-G82 PolarHBondContact O-N 2.59Å; L80-G82 VanDerWaalsContact C-N 3.33Å; L80-G82 PolarHBondContact O-N 2.9Å; G82-A86 WeakPolarHBondContact O-CB 3.48Å; G82-A86 PolarHBondContact O-N 3.36Å
83L92.9Very high85.5Confident93 Ų9395.3 Ų95.349%0.48753%0.531SS..Hα-helixtrans-61.8-44172.6-85.4165.3000112.1L79 L80 A86 I87L79-L83 HydrophobicContact CD2-CD1 3.9Å; L79-L83 PolarHBondContact O-N 3.13Å; L80-L83 PolarHBondContact O-N 3.36Å; L83-A86 PolarHBondContact O-N 3.05Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.94Å
84L91.6Very high83.5Confident100 Ų10093.8 Ų93.852%0.52454%0.535SS..Hα-helixtrans-63.6-43.6-179.6-144.6168000111.1L80 L81 I87 I88L80-L84 WeakPolarHBondContact O-CB 3.16Å; L80-L84 PolarHBondContact O-N 3.37Å; L81-L84 PolarHBondContact O-N 2.03Å; L84-I87 PolarHBondContact O-N 3.04Å; L84-I88 HydrophobicContact CD2-CD1 3.57Å; L84-I88 HydrophobicContact CD2-CG1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.05Å; L84-I88 PolarHBondContact O-N 2.8Å
85V92.4Very high81.3Confident83 Ų8395.4 Ų95.450%0.50355%0.548SS..Hα-helixtrans-63.6-41.3172.7171.60000111.7L81 I87 I88 L89L81-V85 WeakPolarHBondContact O-CG2 3.41Å; L81-V85 PolarHBondContact O-N 3.31Å; V85-I87 PolarHBondContact O-N 3.24Å; V85-I88 PolarHBondContact O-N 3.25Å; V85-L89 HydrophobicContact CG1-CD1 3.88Å; V85-L89 HydrophobicContact CG1-CG 4.32Å; V85-L89 WeakPolarHBondContact O-CB 3.04Å; V85-L89 VanDerWaalsContact O-CG 3.32Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.01Å
86A83.9Confident79Confident53 Ų5398.2 Ų98.244%0.43856%0.564SS.*Hα-helixtrans-63.3-39.5177.100000112.4G82 L83 L89 A90G82-A86 WeakPolarHBondContact O-CB 3.48Å; G82-A86 PolarHBondContact O-N 3.36Å; L83-A86 PolarHBondContact O-N 3.05Å; A86-L89 PolarHBondContact O-N 2.88Å; A86-A90 WeakPolarHBondContact O-CB 3.4Å; A86-A90 PolarHBondContact O-N 2.04Å
87I85.6Confident76.3Confident101 Ų101101.7 Ų101.752%0.51858%0.583SS.*Hα-helixtrans-63.3-47.1174.1-69.1163000110.4L83 L84 V85 L89 A90 Q91L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.43Å; L83-I87 PolarHBondContact O-N 2.94Å; L84-I87 PolarHBondContact O-N 3.04Å; V85-I87 PolarHBondContact O-N 3.24Å; I87-L89 PolarHBondContact O-N 2.83Å; I87-A90 PolarHBondContact O-N 3.49Å; I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.91Å
88I81.1Confident74.5Confident85 Ų85102.5 Ų102.544%0.43659%0.594SS.*Hα-helixtrans-59.7-45.1177.3-70.3166.3000111.1L84 V85 A90 Q91 L92L84-I88 HydrophobicContact CD2-CD1 3.57Å; L84-I88 HydrophobicContact CD2-CG1 4.21Å; L84-I88 WeakPolarHBondContact O-CG1 3.05Å; L84-I88 PolarHBondContact O-N 2.8Å; V85-I88 PolarHBondContact O-N 3.25Å; I88-A90 PolarHBondContact O-N 2.79Å; I88-Q91 PolarHBondContact O-N 3.32Å; I88-L92 HydrophobicContact CG2-CD1 3.78Å; I88-L92 VanDerWaalsContact O-CD1 3.25Å; I88-L92 WeakPolarHBondContact O-CD1 3.48Å; I88-L92 PolarHBondContact O-N 2.86Å
89L78.1Confident71.6Confident98 Ų98100.1 Ų100.151%0.51360%0.6SS.*Hα-helixtrans-64.8-37.3177.9-71.2172.1000112.6V85 A86 I87 L92 Q93V85-L89 HydrophobicContact CG1-CD1 3.88Å; V85-L89 HydrophobicContact CG1-CG 4.32Å; V85-L89 WeakPolarHBondContact O-CB 3.04Å; V85-L89 VanDerWaalsContact O-CG 3.32Å; V85-L89 WeakPolarHBondContact O-CG 3.44Å; V85-L89 PolarHBondContact O-N 3.01Å; A86-L89 PolarHBondContact O-N 2.88Å; I87-L89 PolarHBondContact O-N 2.83Å; L89-L92 PolarHBondContact O-N 2.79Å; L89-Q93 WeakPolarHBondContact O-CG 3.39Å; L89-Q93 PolarHBondContact O-N 3.07Å
90A71.8Confident68.5Low56 Ų5699.7 Ų99.746%0.46361%0.612SS.*Hα-helixtrans-65-39.7174.500000112.1A86 I87 I88 Q93A86-A90 WeakPolarHBondContact O-CB 3.4Å; A86-A90 PolarHBondContact O-N 2.04Å; I87-A90 PolarHBondContact O-N 3.49Å; I88-A90 PolarHBondContact O-N 2.79Å; A90-Q93 PolarHBondContact O-N 3.42Å
91Q71.1Confident65.5Low140 Ų14099.6 Ų99.665%0.65462%0.619SS**Hα-helixtrans-66.7-38.8174.5-64.8-62.5-30.400112I87 I88 Q93 A94I87-Q91 WeakPolarHBondContact O-CG 3.45Å; I87-Q91 PolarHBondContact O-N 2.91Å; I88-Q91 PolarHBondContact O-N 3.32Å; Q91-Q93 PolarHBondContact O-N 2.92Å; Q91-A94 PolarHBondContact O-N 2.94Å
92L62Low62.4Low130 Ų130104.1 Ų104.168%0.68164%0.638SS**Hα-helixtrans-66.4-20.2175.7-96.193.4000114.3I88 L89I88-L92 HydrophobicContact CG2-CD1 3.78Å; I88-L92 VanDerWaalsContact O-CD1 3.25Å; I88-L92 WeakPolarHBondContact O-CD1 3.48Å; I88-L92 PolarHBondContact O-N 2.86Å; L89-L92 PolarHBondContact O-N 2.79Å
93Q56.9Low59.5Low168 Ų168107.4 Ų107.479%0.78565%0.654SS**THydrogen-bonded Turntrans-83.4-10.4176.9-72.8178.8-4.600113.5L89 A90 Q91 A95L89-Q93 WeakPolarHBondContact O-CG 3.39Å; L89-Q93 PolarHBondContact O-N 3.07Å; A90-Q93 PolarHBondContact O-N 3.42Å; Q91-Q93 PolarHBondContact O-N 2.92Å; Q93-A95 VanDerWaalsContact C-N 3.34Å; Q93-A95 PolarHBondContact O-N 3.21Å
94A47.4Very low56.9Low78 Ų78108.1 Ų108.165%0.64567%0.665SS**  trans-89.646.9-175.200000114.1Q91Q91-A94 PolarHBondContact O-N 2.94Å
95A45.4Very low53.9Low78 Ų78111.5 Ų111.565%0.64568%0.682SS**  trans-135.2102.2-177.100000113.8Q93Q93-A95 VanDerWaalsContact C-N 3.34Å; Q93-A95 PolarHBondContact O-N 3.21Å
96P42.8Very low52.1Low132 Ų132113.1 Ų113.186%0.85770%0.695SS**PPolyproline II helixtrans-77.9135.8170.5-12.128.9000112.2
97L36.8Very low49.5Very low172 Ų172115.4 Ų115.490%0.90171%0.713SS**PPolyproline II helixtrans-90.8154.9175-85.7145.7000112.5
98P54.3Low46.8Very low124 Ų124122.5 Ų122.581%0.80573%0.734SS**PPolyproline II helixtrans-99.2162-170.538.7-35.5000114.6
99G33.6Very low44.2Very low74 Ų74122 Ų12276%0.76375%0.749SS**  trans-176.4117.9168.400000115.7
100A30.2Very low41.8Very low102 Ų102125.4 Ų125.484%0.84377%0.767SS**  trans10.6149.2144.800000121.2
101S30.3Very low39.5Very low93 Ų93127.9 Ų127.965%0.6578%0.776SS**  cis-170.6161.80.241.30000111.1
102H28.8Very low37.4Very low185 Ų185127.4 Ų127.486%0.85678%0.783SS**  trans159.5134.7132.3-86.7-68.7000113.1
103S33.1Very low35.5Very low111 Ų111126.5 Ų126.578%0.77678%0.783SS**  trans-91.6172.5169.9-23.90000110.1
104P37.7Very low33.9Very low108 Ų108125 Ų12570%0.70179%0.786SS**  cis-154.3161.142.442.2-20.1000121.1
105L27.9Very low32.9Very low170 Ų170127.4 Ų127.489%0.8979%0.793SS**  trans65.5161.5143.3-68.4169000122.2
106P56.3Low32Very low118 Ų118129.6 Ų129.677%0.76680%0.798SS**  trans-129.9163.3-158.143.1-28.2000118
107A27.7Very low31.5Very low101 Ų101128.8 Ų128.884%0.83579%0.793SS**  trans-169.5170.4158.800000110.8
108R30Very low30.9Very low250 Ų250125.6 Ų125.694%0.94378%0.781SS**  cis-176.5128.3-41.2-177.4179.7-173.8-177.62.6109
109G27.2Very low29.6Very low73 Ų73126.7 Ų126.775%0.75378%0.778SS**  trans90167.9172.900000115.2
110L26.4Very low29.2Very low170 Ų170129.9 Ų129.989%0.8978%0.783SS**  cis-149.4163.20.3-166.959.8000112.1
111T24.2Very low28.9Very low108 Ų108131.1 Ų131.166%0.66378%0.78SS**  trans-81.5152.1-175.549.20000116.2
112T25.8Very low28.9Very low130 Ų130132.5 Ų132.580%0.79879%0.79SS**  trans176.7118.5132.334.70000108.6
113T23.2Very low28.7Very low111 Ų111133.1 Ų133.168%0.68179%0.793SS**  86.1114.155.159.80000116.3
114T23.7Very low28.4Very low138 Ų138132.8 Ų132.885%0.84780%0.797SS**  trans61.9150.1158.546.60000117.9
115T26.3Very low27.9Very low128 Ų128132.9 Ų132.979%0.78581%0.807SS**  cis-148.5161.530.345.10000114.2
116T25Very low27.9Very low123 Ų123128.5 Ų128.576%0.75580%0.803SS**  trans-77.2151.8156.4-10.80000110.6
117P32.8Very low26.3Very low115 Ų115129.5 Ų129.575%0.74781%0.807SS**  -130.4155.8846.817.3000112.9
118T24.3Very low26.7Very low106 Ų106129.7 Ų129.765%0.6580%0.8SS**  cis99.7101.446.7-55.70000113.1
119I27Very low26.4Very low146 Ų146127.8 Ų127.875%0.74980%0.799SS**  trans46.8117.1146.6-51.7167.4000119.3
120T24.6Very low26.2Very low142 Ų142127.8 Ų127.887%0.87180%0.798SS**  -144.7137.6126.9-39.80000110.7
121T24.3Very low26.2Very low127 Ų127128.4 Ų128.478%0.77980%0.797SS**  trans-93.4141.817247.90000112.1
122S29.9Very low26.2Very low123 Ų123130.6 Ų130.686%0.8680%0.799SS**  trans-148.8144.515356.20000111.4
123Q26.1Very low26.1Very low197 Ų197131.8 Ų131.892%0.92180%0.796SS**  trans-98.6143.5175.8-60.8165.5-32.700109.5
124A26.9Very low26.2Very low104 Ų104132 Ų13286%0.8680%0.802SS**  trans-169149145.400000110
125A26.6Very low26.2Very low110 Ų110129.1 Ų129.191%0.90980%0.8SS**  trans-91.8151.5174.500000111.6
126G27.4Very low26.3Very low78 Ų78129.9 Ų129.980%0.80480%0.804SS**  trans-176.485177.900000114.4
127T23.4Very low26.5Very low139 Ų139128.4 Ų128.485%0.85380%0.799SS**  trans-71161.9154.825.70000109.9
128P34.8Very low26.7Very low106 Ų106128.8 Ų128.869%0.68880%0.801SS**  cis-147.1179.731.945.3-26.5000118.6
129K23.7Very low27.4Very low210 Ų210128.5 Ų128.591%0.91380%0.803SS**  trans63.6123.3156.8-72.1179.8179.4-176.40120.2
130G24.1Very low28.1Very low72 Ų72127.1 Ų127.174%0.74280%0.804SS**  trans147.1106.8137.800000118.1
131Q25.3Very low28.9Very low184 Ų184129.5 Ų129.586%0.8681%0.805SS**  trans54.7100.2147.7-66.2176-60.500121.5
132Q24.9Very low29.8Very low153 Ų153127.9 Ų127.972%0.71581%0.805SS**  72.8124.2107.7-162.2154.1-4.600122.3
133E24.1Very low31.4Very low155 Ų155128.5 Ų128.572%0.72480%0.804SS**  trans92.3137.1145.2-99.7154.3-139.600125
134S24.9Very low34.2Very low115 Ų115121.3 Ų121.380%0.80478%0.775SS**  trans63.878.3157.2500000120.7
135G24Very low37.1Very low78 Ų78117.6 Ų117.680%0.80475%0.746SS**  75126.3109.800000121.5
136V28.1Very low40.1Very low145 Ų145114.2 Ų114.288%0.87972%0.722SS**  -156152113.1146.20000108.1
137S28.7Very low43.2Very low92 Ų92116 Ų11664%0.64371%0.712SS**  trans-55.5149.7-178.8-164.70000113.8S139S137-S139 PolarHBondContact OG-N 3.07Å; S137-S139 VanDerWaalsContact OG-N 3.09Å
138P37.3Very low46.5Very low123 Ų123111.1 Ų111.180%0.79968%0.681SS**  -125.61419636.4-32.5000114P140P138-P140 WeakPolarHBondContact O-CD 3.05Å
139S38.8Very low49Very low99 Ų99109.7 Ų109.769%0.69267%0.674SS**  trans-80.9122.6176.651.70000112S137S137-S139 PolarHBondContact OG-N 3.07Å; S137-S139 VanDerWaalsContact OG-N 3.09Å
140P42.2Very low51.9Low117 Ų117100.8 Ų100.876%0.7664%0.642SS**  trans-84.3122.8162.532.4-28.7000109.8P138 A142P138-P140 WeakPolarHBondContact O-CD 3.05Å; P140-A142 PolarHBondContact O-N 2.76Å
141Q42.2Very low54.6Low193 Ų193101.7 Ų101.790%0.90263%0.634SS**  trans-70.7108.3160.3-72.1-179.2-67.700107.6T143Q141-T143 PolarHBondContact O-N 3.04Å; Q141-T143 VanDerWaalsContact O-N 3.14Å
142A42.4Very low57.6Low93 Ų93101.1 Ų101.177%0.76962%0.624SS**  trans-76.598.5179.300000110.5P140 C144P140-A142 PolarHBondContact O-N 2.76Å; A142-C144 PolarHBondContact O-N 2.91Å
143T63.9Low60.5Low136 Ų13694.5 Ų94.583%0.83460%0.597SS**  trans-62.1113.6161.341.30000108.9Q141Q141-T143 PolarHBondContact O-N 3.04Å; Q141-T143 VanDerWaalsContact O-N 3.14Å
144C84.9Confident63.6Low46 Ų4693.5 Ų93.531%0.31159%0.59SS.*  trans-80.7153.1178.664.80000112.3A142 P158 C170A142-C144 PolarHBondContact O-N 2.91Å; C144-P158 HydrophobicContact CB-CG 3.76Å; C144-C170 HydrophobicContact CB-CB 3.84Å; C144-C170 WeakPolarHBondContact CB-SG 3.4Å; C144-C170 WeakPolarHBondContact SG-CA 3.18Å; C144-C170 WeakPolarHBondContact SG-CB 3.02Å; C144-C170 CovalentContact SG-SG 2.03Å; C144-C170 PolarHBondContact SG-SG 2.88Å
145G86.6Confident66.8Low26 Ų2688.6 Ų88.627%0.26856%0.555SS.*EExtended strand (participates in β ladder)trans96.6-168.6-166.900000112.7M171G145-M171 CarbonylContact C-O 3.55Å; G145-M171 WeakPolarHBondContact CA-O 3.42Å
146G90.9Very high70.1Confident39 Ų3986.5 Ų86.540%0.40253%0.528SS..EExtended strand (participates in β ladder)trans144.2-180178.500000113.8M171 W172 R173G146-M171 PolarHBondContact N-O 2.9Å; G146-W172 CarbonylContact O-C 3.57Å; G146-W172 WeakPolarHBondContact O-CA 3.47Å; G146-R173 PolarHBondContact O-N 3.47Å
147L91.9Very high73.2Confident114 Ų11479.9 Ų79.960%0.59749%0.488SS*.EExtended strand (participates in β ladder)trans-88.7121169.9-177.171.6000109.1S149 R173L147-S149 WeakPolarHBondContact CG-OG 3.38Å; L147-R173 HydrophobicContact CD1-CB 3.99Å
148L91.9Very high76.2Confident38 Ų3876.7 Ų76.720%0.19947%0.465CS..EExtended strand (participates in β ladder)trans-107.292.2177.3-60.7-177.3000108.6F155 W172 R173 I174 Q175 Y250L148-F155 HydrophobicContact CD1-CB 4Å; L148-F155 HydrophobicContact CD1-CD1 4.02Å; L148-F155 HydrophobicContact CD1-CG 4.09Å; L148-W172 HydrophobicContact CD1-CB 4.04Å; L148-W172 HydrophobicContact CD1-CG 4.17Å; L148-R173 PolarHBondContact N-O 2.92Å; L148-I174 HydrophobicContact CB-CG1 4.21Å; L148-I174 HydrophobicContact CD1-CG1 4.12Å; L148-I174 WeakPolarHBondContact O-CA 3.04Å; L148-Q175 PolarHBondContact O-N 2.96Å; L148-Y250 HydrophobicContact CB-CE1 3.92Å; L148-Y250 HydrophobicContact CD1-CE1 4.02Å
149S88.7Confident78.6Confident76 Ų7675.4 Ų75.453%0.53145%0.451SS..EExtended strand (participates in β ladder)trans-105.1121.8180-57.50000111.4L147 Q175L147-S149 WeakPolarHBondContact CG-OG 3.38Å; S149-Q175 WeakPolarHBondContact CA-O 3.43Å
150G84.3Confident80.9Confident23 Ų2374.5 Ų74.524%0.23743%0.433CS..SBendtrans159172.5175.600000113.3R152 Q175G150-R152 PolarHBondContact O-N 2.92Å; G150-Q175 PolarHBondContact N-O 3.31Å
151P81Confident83.1Confident91 Ų9173.1 Ų73.159%0.59142%0.424SS*.SBendtrans-77-6.6178.732.6-36.3000113.6Q251 A252P151-Q251 WeakPolarHBondContact O-CA 3.44Å; P151-A252 HydrophobicContact CB-CB 4.28Å; P151-A252 PolarHBondContact O-N 2.87Å
152R87.4Confident85.2Confident172 Ų17269.2 Ų69.265%0.64941%0.41SS*.EExtended strand (participates in β ladder)trans-164.4157.1172.463-175.865.9120.51.5111.3G150 Y250 Q251G150-R152 PolarHBondContact O-N 2.92Å; R152-Y250 CarbonylContact C-O 3.57Å; R152-Y250 WeakPolarHBondContact CA-O 3.5Å; R152-Q251 HydrophobicContact CB-CB 4.16Å
153G86.4Confident87.2Confident14 Ų1467.3 Ų67.314%0.14439%0.39CS..EExtended strand (participates in β ladder)trans-175.2172.2170.700000113.4W249 Y250G153-W249 CarbonylContact O-C 3.56Å; G153-W249 VanDerWaalsContact O-CA 3.26Å; G153-W249 WeakPolarHBondContact O-CA 3.37Å; G153-W249 WeakPolarHBondContact O-CB 3.27Å; G153-Y250 PolarHBondContact N-O 2.98Å; G153-Y250 WeakPolarHBondContact O-CD1 3.5Å; G153-Y250 PolarHBondContact O-N 2.82Å
154F88.4Confident88.5Confident133 Ų13361 Ų6158%0.58335%0.35SS*.EExtended strand (participates in β ladder)trans-125.5147.6-176.9-62.3-99.8000109.5H247 A248 W249F154-H247 AromaticContact CD1-NE2 3.75Å; F154-A248 CarbonylContact C-O 3.58Å; F154-A248 WeakPolarHBondContact CA-O 3.23Å; F154-W249 HydrophobicContact CD1-CB 3.54Å; F154-W249 HydrophobicContact CD1-CG 4.39Å; F154-W249 HydrophobicContact CE1-CB 3.64Å; F154-W249 HydrophobicContact CE1-CG 4.09Å; F154-W249 HydrophobicContact CG-CB 4.13Å; F154-W249 HydrophobicContact CZ-CB 4.31Å
155F92.9Very high88.7Confident13 Ų1361 Ų616%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-152.3160.8173.566.6-74.8000111.3L148 W172 I174 L184 V233 F246 H247 A248 Y250L148-F155 HydrophobicContact CD1-CB 4Å; L148-F155 HydrophobicContact CD1-CD1 4.02Å; L148-F155 HydrophobicContact CD1-CG 4.09Å; F155-W172 AromaticContact CD2-CD2 3.71Å; F155-W172 HydrophobicContact CD2-CD2 3.71Å; F155-W172 AromaticContact CD2-CE2 3.92Å; F155-W172 HydrophobicContact CD2-CE3 4.05Å; F155-W172 AromaticContact CD2-CG 3.94Å; F155-W172 HydrophobicContact CD2-CG 3.94Å; F155-W172 HydrophobicContact CD2-CZ2 4.44Å; F155-W172 HydrophobicContact CE2-CD2 4.21Å; F155-W172 HydrophobicContact CE2-CE3 4.17Å; F155-W172 HydrophobicContact CE2-CG 4.46Å; F155-W172 HydrophobicContact CG-CG 4.42Å; F155-I174 HydrophobicContact CE1-CD1 3.96Å; F155-I174 HydrophobicContact CZ-CD1 4.32Å; F155-L184 HydrophobicContact CE1-CD1 3.69Å; F155-L184 HydrophobicContact CZ-CD1 3.83Å; F155-V233 HydrophobicContact CE2-CB 4.3Å; F155-V233 HydrophobicContact CE2-CG1 3.9Å; F155-V233 HydrophobicContact CZ-CB 4.39Å; F155-V233 HydrophobicContact CZ-CG1 4.19Å; F155-V233 HydrophobicContact CZ-CG2 4.19Å; F155-F246 AromaticContact CD2-CE2 3.82Å; F155-F246 HydrophobicContact CD2-CE2 3.82Å; F155-F246 HydrophobicContact CD2-CZ 4.34Å; F155-F246 AromaticContact CE2-CE2 3.71Å; F155-F246 HydrophobicContact CE2-CE2 3.71Å; F155-F246 HydrophobicContact CE2-CZ 4.27Å; F155-H247 PolarHBondContact O-ND1 2.85Å; F155-A248 HydrophobicContact CD1-CB 4.25Å; F155-A248 HydrophobicContact CE1-CB 3.77Å; F155-A248 HydrophobicContact CE2-CB 4.26Å; F155-A248 HydrophobicContact CZ-CB 3.78Å; F155-A248 PolarHBondContact N-O 2.85Å; F155-A248 PolarHBondContact O-N 3.27Å; F155-A248 VanDerWaalsContact O-O 3.09Å; F155-Y250 HydrophobicContact CD1-CD1 4.48Å
156S93.1Very high88.8Confident34 Ų3462 Ų6224%0.23835%0.352CS..EExtended strand (participates in β ladder)trans-143.9165.1-179-57.70000110.6W172 F246 H247S156-W172 WeakPolarHBondContact O-CZ2 3.07Å; S156-F246 WeakPolarHBondContact CA-O 3.47Å; S156-F246 WeakPolarHBondContact CB-O 3.1Å; S156-H247 PolarHBondContact OG-ND1 2.57Å
157S93.4Very high88.6Confident5 Ų565.8 Ų65.84%0.03536%0.363CS..  trans-56159.5157.654.80000111.3G245 F246S157-G245 VanDerWaalsContact OG-CA 3.26Å; S157-G245 WeakPolarHBondContact OG-CA 3.39Å; S157-F246 PolarHBondContact N-O 2.85Å; S157-F246 VanDerWaalsContact N-O 3.1Å; S157-F246 PolarHBondContact OG-N 2.91Å
158P91.8Very high88.4Confident26 Ų2661 Ų6117%0.16934%0.338CS..THydrogen-bonded Turntrans-57.5154.2169.8-18.432000110.9C144 Y160 P165 T168 C170C144-P158 HydrophobicContact CB-CG 3.76Å; P158-Y160 PolarHBondContact O-N 3.16Å; P158-P165 HydrophobicContact CB-CG 4.33Å; P158-T168 HydrophobicContact CG-CG2 3.93Å; P158-C170 VanDerWaalsContact CG-SG 3.58Å
159N88.2Confident88.3Confident95 Ų9564.6 Ų64.651%0.50835%0.354SS..THydrogen-bonded Turntrans62.9-16-178.8-54.4-13.2000117.5D162 P163N159-D162 CarbonylContact C-O 3.31Å; N159-D162 VanDerWaalsContact C-O 3.31Å; N159-D162 HydrophobicContact CB-CB 4.21Å; N159-D162 WeakPolarHBondContact CB-O 3.22Å; N159-D162 WeakPolarHBondContact O-CB 3.48Å; N159-D162 PolarHBondContact O-N 3.28Å; N159-P163 VanDerWaalsContact CB-O 3.29Å; N159-P163 WeakPolarHBondContact CB-O 3.45Å; N159-P163 PolarHBondContact ND2-O 2.91Å
160Y86.1Confident88.5Confident81 Ų8161 Ų6132%0.31833%0.328SS..THydrogen-bonded Turntrans-44.3128.4-175.9-178.1-85.2000112.9P158 D162 A188 F244 F246 H247P158-Y160 PolarHBondContact O-N 3.16Å; Y160-D162 PolarHBondContact N-O 3.19Å; Y160-A188 HydrophobicContact CE2-CB 4.16Å; Y160-A188 WeakPolarHBondContact OH-CB 3.09Å; Y160-F244 WeakPolarHBondContact CD2-O 3.46Å; Y160-F246 WeakPolarHBondContact CD2-O 3.47Å; Y160-H247 HydrophobicContact CD1-CB 4.25Å; Y160-H247 HydrophobicContact CE1-CB 3.7Å; Y160-H247 HydrophobicContact CE2-CB 4.12Å
161P89.3Confident88.9Confident87 Ų8764.3 Ų64.357%0.56534%0.339SS*.THydrogen-bonded Turncis-86-0.812.335.8-38000115.8
162D85.8Confident89.5Confident112 Ų11260.7 Ų60.760%0.59931%0.314SS*.SBendtrans-74.3157.7173.7-63.7-50.9000110.9N159 Y160N159-D162 CarbonylContact C-O 3.31Å; N159-D162 VanDerWaalsContact C-O 3.31Å; N159-D162 HydrophobicContact CB-CB 4.21Å; N159-D162 WeakPolarHBondContact CB-O 3.22Å; N159-D162 WeakPolarHBondContact O-CB 3.48Å; N159-D162 PolarHBondContact O-N 3.28Å; Y160-D162 PolarHBondContact N-O 3.19Å
163P84.3Confident89.8Confident53 Ų5357.8 Ų57.834%0.34430%0.303SS..PPolyproline II helixtrans-57.2139.8-175.5-27.235.7000114.9N159 E242 G243 F244N159-P163 VanDerWaalsContact CB-O 3.29Å; N159-P163 WeakPolarHBondContact CB-O 3.45Å; N159-P163 PolarHBondContact ND2-O 2.91Å; P163-E242 HydrophobicContact CB-CB 4.09Å; P163-G243 WeakPolarHBondContact CA-O 3.32Å; P163-G243 WeakPolarHBondContact CB-O 3.36Å; P163-F244 HydrophobicContact CG-CD1 4.02Å; P163-F244 HydrophobicContact CG-CE1 4.21Å
164Y91.4Very high90.1Very high3 Ų357.2 Ų57.21%0.01230%0.296CS..PPolyproline II helixtrans-70.3153.3178.852.9-97.7000111.7I191 E192 D200 F235 E242 G243 G245Y164-I191 HydrophobicContact CE1-CG1 4.46Å; Y164-E192 PolarHBondContact OH-N 2.97Å; Y164-D200 WeakPolarHBondContact CE2-OD2 3.14Å; Y164-D200 PolarHBondContact OH-OD2 3.42Å; Y164-F235 HydrophobicContact CD1-CE1 4.45Å; Y164-F235 AromaticContact CD1-CZ 3.92Å; Y164-F235 HydrophobicContact CD1-CZ 3.92Å; Y164-F235 HydrophobicContact CD2-CE1 4.06Å; Y164-F235 AromaticContact CD2-CZ 3.71Å; Y164-F235 HydrophobicContact CD2-CZ 3.71Å; Y164-F235 HydrophobicContact CE1-CZ 4.06Å; Y164-F235 AromaticContact CE2-CZ 3.88Å; Y164-F235 HydrophobicContact CE2-CZ 3.88Å; Y164-F235 AromaticContact CG-CE1 3.96Å; Y164-F235 HydrophobicContact CG-CE1 3.96Å; Y164-F235 AromaticContact CG-CZ 3.73Å; Y164-F235 HydrophobicContact CG-CZ 3.73Å; Y164-E242 WeakPolarHBondContact O-CG 3.38Å; Y164-G243 WeakPolarHBondContact CD1-O 3.36Å; Y164-G243 WeakPolarHBondContact CE1-O 3.35Å; Y164-G243 VanDerWaalsContact CZ-N 3.27Å; Y164-G243 PolarHBondContact N-O 2.88Å; Y164-G243 PolarHBondContact OH-N 3.12Å; Y164-G243 VanDerWaalsContact OH-N 3.15Å; Y164-G245 VanDerWaalsContact CD1-CA 3.41Å
165P89.4Confident90.2Very high45 Ų4554.3 Ų54.329%0.29228%0.284SS..PPolyproline II helixtrans-68.8146.4176.6-15.529000112.3P158 T168 S237P158-P165 HydrophobicContact CB-CG 4.33Å; P165-T168 WeakPolarHBondContact O-CB 3.35Å; P165-T168 PolarHBondContact O-OG1 2.86Å; P165-S237 PolarHBondContact O-OG 3.28Å
166P87.8Confident90.1Very high48 Ų4854.2 Ų54.231%0.31229%0.285SS..THydrogen-bonded Turntrans-68.6155.916830-34.4000111.2T168 D238 E242P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.31Å; P166-D238 CarbonylContact C-O 3.51Å; P166-D238 VanDerWaalsContact CA-O 3.25Å; P166-D238 WeakPolarHBondContact CA-O 3.5Å; P166-D238 VanDerWaalsContact CB-O 3.24Å; P166-D238 WeakPolarHBondContact CB-O 3.37Å; P166-E242 HydrophobicContact CB-CG 4.49Å; P166-E242 WeakPolarHBondContact CD-OE1 3.22Å
167N86.6Confident89.9Confident119 Ų11955 Ų5564%0.63629%0.294SS*.THydrogen-bonded Turntrans59.730-175.1-50.7-95.5000113.7S237 D238N167-S237 WeakPolarHBondContact CA-O 3.48Å; N167-S237 PolarHBondContact N-OG 2.85Å; N167-D238 PolarHBondContact N-O 3.41Å
168T87.3Confident89.4Confident14 Ų1460.7 Ų60.79%0.08633%0.328CS..  trans-78.5142.2178.8-70.90000110.8P158 P165 P166 C170 F235 V236 S237P158-T168 HydrophobicContact CG-CG2 3.93Å; P165-T168 WeakPolarHBondContact O-CB 3.35Å; P165-T168 PolarHBondContact O-OG1 2.86Å; P166-T168 VanDerWaalsContact C-N 3.26Å; P166-T168 PolarHBondContact O-N 3.31Å; T168-C170 WeakPolarHBondContact CG2-SG 3.47Å; T168-F235 HydrophobicContact CG2-CD1 3.88Å; T168-F235 HydrophobicContact CG2-CE1 3.96Å; T168-V236 CarbonylContact O-C 3.4Å; T168-V236 WeakPolarHBondContact O-CA 3.41Å; T168-S237 VanDerWaalsContact CB-OG 3.27Å; T168-S237 WeakPolarHBondContact CB-OG 3.47Å; T168-S237 PolarHBondContact N-OG 3.4Å; T168-S237 PolarHBondContact O-N 2.76Å
169H90.8Very high88.9Confident112 Ų11264.3 Ų64.352%0.51935%0.346SS..EExtended strand (participates in β ladder)trans-141.291.4170.9-175.9-72.1000110.9F235H169-F235 CarbonylContact C-O 3.57Å; H169-F235 WeakPolarHBondContact CA-O 3.01Å
170C93.2Very high88.5Confident0 Ų062.9 Ų62.90%034%0.336CS..EExtended strand (participates in β ladder)trans-99.5144.3-179.7-49.20000111.4C144 P158 T168 W172 A234 F235C144-C170 HydrophobicContact CB-CB 3.84Å; C144-C170 WeakPolarHBondContact CB-SG 3.4Å; C144-C170 WeakPolarHBondContact SG-CA 3.18Å; C144-C170 WeakPolarHBondContact SG-CB 3.02Å; C144-C170 CovalentContact SG-SG 2.03Å; C144-C170 PolarHBondContact SG-SG 2.88Å; P158-C170 VanDerWaalsContact CG-SG 3.58Å; T168-C170 WeakPolarHBondContact CG2-SG 3.47Å; C170-W172 HydrophobicContact CB-CE3 4.24Å; C170-W172 HydrophobicContact CB-CH2 3.23Å; C170-W172 HydrophobicContact CB-CZ2 3.82Å; C170-W172 HydrophobicContact CB-CZ3 3.48Å; C170-W172 VanDerWaalsContact CB-CZ3 3.48Å; C170-A234 CarbonylContact O-C 3.57Å; C170-A234 WeakPolarHBondContact O-CA 3.46Å; C170-F235 HydrophobicContact CB-CB 4.37Å; C170-F235 PolarHBondContact N-O 3.03Å; C170-F235 PolarHBondContact O-N 3.48Å
171M92.5Very high88.3Confident94 Ų9459.2 Ų59.246%0.46332%0.322SS..EExtended strand (participates in β ladder)trans-135.2118.6174-69.9-178-73.300111.6G145 G146 V233 A234G145-M171 CarbonylContact C-O 3.55Å; G145-M171 WeakPolarHBondContact CA-O 3.42Å; G146-M171 PolarHBondContact N-O 2.9Å; M171-V233 CarbonylContact C-O 3.47Å; M171-V233 WeakPolarHBondContact CA-O 3Å; M171-A234 HydrophobicContact CG-CB 4.28Å
172W94.1Very high87.9Confident15 Ų1555 Ų556%0.05730%0.296CS..EExtended strand (participates in β ladder)trans-103.6129171.5-59.6-92.6000110.2G146 L148 F155 S156 C170 V233 F235 F246G146-W172 CarbonylContact O-C 3.57Å; G146-W172 WeakPolarHBondContact O-CA 3.47Å; L148-W172 HydrophobicContact CD1-CB 4.04Å; L148-W172 HydrophobicContact CD1-CG 4.17Å; F155-W172 AromaticContact CD2-CD2 3.71Å; F155-W172 HydrophobicContact CD2-CD2 3.71Å; F155-W172 AromaticContact CD2-CE2 3.92Å; F155-W172 HydrophobicContact CD2-CE3 4.05Å; F155-W172 AromaticContact CD2-CG 3.94Å; F155-W172 HydrophobicContact CD2-CG 3.94Å; F155-W172 HydrophobicContact CD2-CZ2 4.44Å; F155-W172 HydrophobicContact CE2-CD2 4.21Å; F155-W172 HydrophobicContact CE2-CE3 4.17Å; F155-W172 HydrophobicContact CE2-CG 4.46Å; F155-W172 HydrophobicContact CG-CG 4.42Å; S156-W172 WeakPolarHBondContact O-CZ2 3.07Å; C170-W172 HydrophobicContact CB-CE3 4.24Å; C170-W172 HydrophobicContact CB-CH2 3.23Å; C170-W172 HydrophobicContact CB-CZ2 3.82Å; C170-W172 HydrophobicContact CB-CZ3 3.48Å; C170-W172 VanDerWaalsContact CB-CZ3 3.48Å; W172-V233 HydrophobicContact CE3-CG1 4.44Å; W172-V233 PolarHBondContact N-O 3.21Å; W172-V233 PolarHBondContact O-N 3.06Å; W172-F235 HydrophobicContact CH2-CB 4.2Å; W172-F235 HydrophobicContact CZ3-CB 3.79Å; W172-F246 HydrophobicContact CH2-CE1 4.35Å; W172-F246 AromaticContact CH2-CZ 3.71Å; W172-F246 HydrophobicContact CH2-CZ 3.71Å; W172-F246 HydrophobicContact CZ3-CE1 4.47Å; W172-F246 AromaticContact CZ3-CZ 3.74Å; W172-F246 HydrophobicContact CZ3-CZ 3.74Å
173R92.8Very high87.4Confident111 Ų11149.8 Ų49.842%0.41927%0.267SS..EExtended strand (participates in β ladder)trans-106103.6172.4-72.3-179168.8-75.9-11.1108.1G146 L147 L148 E207 L232G146-R173 PolarHBondContact O-N 3.47Å; L147-R173 HydrophobicContact CD1-CB 3.99Å; L148-R173 PolarHBondContact N-O 2.92Å; R173-E207 IonicContact CZ-OE1 2.75Å; R173-E207 IonicContact NH1-OE1 2.79Å; R173-E207 PolarHBondContact NH1-OE1 3.12Å; R173-E207 IonicContact NH1-OE2 2.71Å; R173-E207 PolarHBondContact NH1-OE2 3.32Å; R173-E207 IonicContact NH2-OE1 2.84Å; R173-L232 HydrophobicContact CG-CD1 3.81Å
174I92.3Very high87.2Confident2 Ų247.3 Ų47.31%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-87.1130.2177.3-56170.4000108.1L148 F155 I182 H230 L231 V233 Y250L148-I174 HydrophobicContact CB-CG1 4.21Å; L148-I174 HydrophobicContact CD1-CG1 4.12Å; L148-I174 WeakPolarHBondContact O-CA 3.04Å; F155-I174 HydrophobicContact CE1-CD1 3.96Å; F155-I174 HydrophobicContact CZ-CD1 4.32Å; I174-I182 HydrophobicContact CB-CD1 4.15Å; I174-I182 HydrophobicContact CG2-CD1 3.74Å; I174-I182 HydrophobicContact CG2-CG1 4.3Å; I174-I182 HydrophobicContact CG2-CG2 4.27Å; I174-H230 WeakPolarHBondContact O-CA 3.48Å; I174-L231 HydrophobicContact CB-CB 4.27Å; I174-L231 HydrophobicContact CD1-CD2 4.43Å; I174-L231 PolarHBondContact N-O 3.33Å; I174-L231 PolarHBondContact O-N 3.29Å; I174-V233 HydrophobicContact CD1-CG2 4.22Å; I174-Y250 HydrophobicContact CD1-CD1 3.94Å; I174-Y250 HydrophobicContact CD1-CG 4.07Å; I174-Y250 HydrophobicContact CG1-CD1 4.24Å; I174-Y250 HydrophobicContact CG1-CE1 4.45Å; I174-Y250 HydrophobicContact CG2-CD1 4.08Å; I174-Y250 HydrophobicContact CG2-CD2 3.43Å; I174-Y250 VanDerWaalsContact CG2-CD2 3.43Å; I174-Y250 HydrophobicContact CG2-CE1 4.19Å; I174-Y250 HydrophobicContact CG2-CE2 3.56Å; I174-Y250 HydrophobicContact CG2-CG 3.72Å
175Q91.9Very high86.4Confident72 Ų7248.8 Ų48.834%0.33626%0.258SS..EExtended strand (participates in β ladder)trans-134.6122.8178-177177.410.500110.8L148 S149 G150 H230L148-Q175 PolarHBondContact O-N 2.96Å; S149-Q175 WeakPolarHBondContact CA-O 3.43Å; G150-Q175 PolarHBondContact N-O 3.31Å; Q175-H230 VanDerWaalsContact CD-CE1 3.47Å; Q175-H230 PolarHBondContact NE2-CE1 3.04Å; Q175-H230 VanDerWaalsContact NE2-CE1 3.28Å
176V89.3Confident86Confident10 Ų1047 Ų476%0.06125%0.245CC..  trans-107.4-176.7171-60.50000110.1H180 I182 S229 A252V176-H180 HydrophobicContact CB-CB 4.36Å; V176-H180 HydrophobicContact CG2-CB 4Å; V176-I182 HydrophobicContact CB-CG1 4.33Å; V176-I182 HydrophobicContact CG1-CD1 4.42Å; V176-I182 HydrophobicContact CG1-CG1 3.73Å; V176-I182 HydrophobicContact CG2-CD1 4.27Å; V176-I182 HydrophobicContact CG2-CG1 3.63Å; V176-S229 WeakPolarHBondContact CG2-O 3.49Å; V176-S229 PolarHBondContact N-O 2.88Å; V176-A252 HydrophobicContact CB-CB 3.95Å; V176-A252 HydrophobicContact CG1-CB 3.7Å
177A88.9Confident85.3Confident52 Ų5249.5 Ų49.543%0.4325%0.253SS..  trans-68.1150.5173.400000110.8D179 H180 S229A177-D179 WeakPolarHBondContact CB-OD1 3.24Å; A177-D179 PolarHBondContact O-N 3.32Å; A177-D179 VanDerWaalsContact O-N 3.12Å; A177-H180 PolarHBondContact O-N 3.34Å; A177-S229 WeakPolarHBondContact O-CB 3.43Å
178T82.8Confident84.7Confident123 Ų12345.1 Ų45.176%0.75523%0.234SC*.THydrogen-bonded Turntrans-69.5-10.3-172.252.40000114.6
179D81.5Confident84.4Confident102 Ų10245 Ų4555%0.54523%0.232SC..THydrogen-bonded Turntrans-97.54.7172.864-26.4000112.9A177 P255A177-D179 WeakPolarHBondContact CB-OD1 3.24Å; A177-D179 PolarHBondContact O-N 3.32Å; A177-D179 VanDerWaalsContact O-N 3.12Å; D179-P255 WeakPolarHBondContact O-CD 3.34Å; D179-P255 WeakPolarHBondContact O-CG 3.02Å
180H81Confident84.1Confident66 Ų6640.2 Ų40.231%0.30621%0.212SC..  trans-121.1153.1178.8-70.969.7000111.2V176 A177 S229 A252 V253V176-H180 HydrophobicContact CB-CB 4.36Å; V176-H180 HydrophobicContact CG2-CB 4Å; A177-H180 PolarHBondContact O-N 3.34Å; H180-S229 WeakPolarHBondContact O-CA 3.18Å; H180-S229 VanDerWaalsContact O-CB 3.31Å; H180-S229 WeakPolarHBondContact O-CB 3.38Å; H180-A252 HydrophobicContact CB-CB 4.07Å; H180-V253 WeakPolarHBondContact CA-O 3.46Å
181A82.3Confident83.7Confident3 Ų340.3 Ų40.33%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-106.7160.5171.300000111T226 A228 A252 V253A181-T226 WeakPolarHBondContact CB-O 3.23Å; A181-A228 WeakPolarHBondContact CA-O 3.34Å; A181-A252 WeakPolarHBondContact O-CA 3.42Å; A181-V253 HydrophobicContact CB-CG2 4.21Å; A181-V253 PolarHBondContact N-O 2.86Å; A181-V253 PolarHBondContact O-N 2.88Å
182I79.9Confident83.2Confident0 Ų037.1 Ų37.10%020%0.196CC..EExtended strand (participates in β ladder)trans-96123.4179.6-62.5165.8000110.2I174 V176 T226 A228 L231I174-I182 HydrophobicContact CB-CD1 4.15Å; I174-I182 HydrophobicContact CG2-CD1 3.74Å; I174-I182 HydrophobicContact CG2-CG1 4.3Å; I174-I182 HydrophobicContact CG2-CG2 4.27Å; V176-I182 HydrophobicContact CB-CG1 4.33Å; V176-I182 HydrophobicContact CG1-CD1 4.42Å; V176-I182 HydrophobicContact CG1-CG1 3.73Å; V176-I182 HydrophobicContact CG2-CD1 4.27Å; V176-I182 HydrophobicContact CG2-CG1 3.63Å; I182-T226 PolarHBondContact N-OG1 3.2Å; I182-T226 WeakPolarHBondContact O-CB 3.28Å; I182-T226 PolarHBondContact O-N 2.98Å; I182-T226 PolarHBondContact O-OG1 2.97Å; I182-A228 PolarHBondContact N-O 2.87Å; I182-L231 HydrophobicContact CB-CD2 4.44Å; I182-L231 HydrophobicContact CD1-CB 3.55Å; I182-L231 HydrophobicContact CG2-CB 4.42Å; I182-L231 HydrophobicContact CG2-CD2 3.76Å
183Q75.9Confident82.3Confident1 Ų140.7 Ų40.71%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-97.2136.6161.7177173.467.700108.8T223 L224 N225 W249 Y250 Q251 V253 S259Q183-T223 HydrophobicContact CG-CG2 3.5Å; Q183-L224 WeakPolarHBondContact CA-O 3.44Å; Q183-N225 WeakPolarHBondContact CG-OD1 3.33Å; Q183-N225 PolarHBondContact NE2-OD1 3.36Å; Q183-W249 HydrophobicContact CG-CZ3 4.49Å; Q183-Y250 CarbonylContact O-C 3.42Å; Q183-Y250 WeakPolarHBondContact O-CA 3.08Å; Q183-Y250 WeakPolarHBondContact O-CB 3.46Å; Q183-Q251 HydrophobicContact CB-CG 4.27Å; Q183-Q251 PolarHBondContact N-O 2.97Å; Q183-Q251 PolarHBondContact O-N 2.94Å; Q183-V253 HydrophobicContact CB-CG1 3.84Å; Q183-V253 HydrophobicContact CB-CG2 4.22Å; Q183-S259 PolarHBondContact NE2-O 3.32Å
184L79.2Confident80.8Confident2 Ų237.4 Ų37.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-135.6123.2-177.3172.168.5000110.4F155 I204 L224 L231 V233 A248 W249F155-L184 HydrophobicContact CE1-CD1 3.69Å; F155-L184 HydrophobicContact CZ-CD1 3.83Å; L184-I204 HydrophobicContact CD2-CD1 3.87Å; L184-I204 HydrophobicContact CD2-CG1 4.5Å; L184-I204 HydrophobicContact CD2-CG2 4.25Å; L184-L224 HydrophobicContact CB-CB 4.42Å; L184-L224 HydrophobicContact CD2-CD1 4.38Å; L184-L224 PolarHBondContact N-O 2.91Å; L184-L224 PolarHBondContact O-N 3.46Å; L184-L231 HydrophobicContact CB-CD2 4.29Å; L184-L231 HydrophobicContact CD2-CD2 3.83Å; L184-V233 HydrophobicContact CD2-CG2 4.28Å; L184-A248 HydrophobicContact CD1-CB 4.25Å; L184-W249 WeakPolarHBondContact CA-O 3.47Å; L184-W249 WeakPolarHBondContact CD1-O 3.47Å
185K75.6Confident78.7Confident33 Ų3341.4 Ų41.414%0.14325%0.249CC..EExtended strand (participates in β ladder)trans-114.2138.2170.6-169.5169.4-171.4151.60109.6E187 T223 A248 W249 D263 E264K185-E187 HydrophobicContact CG-CG 4.5Å; K185-T223 HydrophobicContact CB-CG2 4.45Å; K185-T223 VanDerWaalsContact CD-OG1 3.28Å; K185-T223 WeakPolarHBondContact CD-OG1 3.12Å; K185-T223 VanDerWaalsContact CG-OG1 3.31Å; K185-T223 WeakPolarHBondContact CG-OG1 3.33Å; K185-A248 CarbonylContact O-C 3.59Å; K185-A248 VanDerWaalsContact O-CA 3.24Å; K185-A248 WeakPolarHBondContact O-CA 3.07Å; K185-A248 WeakPolarHBondContact O-CB 3.32Å; K185-W249 HydrophobicContact CB-CD2 4.1Å; K185-W249 HydrophobicContact CB-CH2 4.07Å; K185-W249 HydrophobicContact CB-CZ2 3.63Å; K185-W249 HydrophobicContact CB-CZ3 4.49Å; K185-W249 HydrophobicContact CD-CZ2 3.67Å; K185-W249 HydrophobicContact CG-CZ2 4.23Å; K185-W249 PolarHBondContact N-O 2.03Å; K185-W249 PolarHBondContact O-N 2.98Å; K185-D263 IonicContact NZ-OD2 3.51Å; K185-D263 PolarHBondContact NZ-OD2 2.84Å; K185-E264 WeakPolarHBondContact CE-OE1 3.43Å; K185-E264 IonicContact NZ-OE1 3.11Å; K185-E264 PolarHBondContact NZ-OE1 3.12Å
186I80.6Confident76.9Confident7 Ų742.5 Ų42.54%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-101.5120.2167.7-60.1176.7000105.9A188 L189 L202 I204 I215 P220 P221 A248I186-A188 VanDerWaalsContact CG2-O 3.3Å; I186-A188 WeakPolarHBondContact CG2-O 3.35Å; I186-L189 HydrophobicContact CG2-CB 4.34Å; I186-L189 HydrophobicContact CG2-CD1 4.26Å; I186-L202 HydrophobicContact CD1-CD2 3.54Å; I186-I204 HydrophobicContact CD1-CD1 4.35Å; I186-I215 HydrophobicContact CD1-CD1 3.67Å; I186-P220 HydrophobicContact CB-CB 4.24Å; I186-P220 HydrophobicContact CG2-CB 4Å; I186-P220 WeakPolarHBondContact O-CB 3.37Å; I186-P221 HydrophobicContact CD1-CG 3.92Å; I186-A248 HydrophobicContact CG1-CB 4.06Å
187E73.6Confident76Confident101 Ų10142.9 Ų42.947%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-93-26.5-175.6-63-171.8137.600112.3K185 H247 W249K185-E187 HydrophobicContact CG-CG 4.5Å; E187-H247 PolarHBondContact N-O 2.92Å; E187-H247 IonicContact OE2-CD2 3.23Å; E187-W249 VanDerWaalsContact CD-NE1 3.31Å; E187-W249 PolarHBondContact OE1-NE1 2.93Å
188A72.4Confident75Confident28 Ų2845.6 Ų45.623%0.23127%0.274CS..EExtended strand (participates in β ladder)trans-141.9138.6175.400000109.9Y160 I186 F246 H247Y160-A188 HydrophobicContact CE2-CB 4.16Å; Y160-A188 WeakPolarHBondContact OH-CB 3.09Å; I186-A188 VanDerWaalsContact CG2-O 3.3Å; I186-A188 WeakPolarHBondContact CG2-O 3.35Å; A188-F246 WeakPolarHBondContact O-CA 3.28Å; A188-F246 VanDerWaalsContact O-CB 3.27Å; A188-F246 WeakPolarHBondContact O-CB 3.32Å; A188-H247 HydrophobicContact CB-CB 4.47Å; A188-H247 PolarHBondContact N-O 3.44Å; A188-H247 PolarHBondContact O-N 2.89Å; A188-H247 VanDerWaalsContact O-N 3.07Å
189L82.3Confident74.8Confident10 Ų1044.5 Ų44.55%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-139.2127.4175.8-167.487.1000109.8I186 I191 L202 I215 G217 R218 V219 P220 G245 F246I186-L189 HydrophobicContact CG2-CB 4.34Å; I186-L189 HydrophobicContact CG2-CD1 4.26Å; L189-I191 HydrophobicContact CD1-CD1 3.72Å; L189-I191 HydrophobicContact CD1-CG1 4.25Å; L189-I191 HydrophobicContact CG-CD1 4.39Å; L189-I191 HydrophobicContact CG-CG1 4.45Å; L189-L202 HydrophobicContact CD1-CD2 4.44Å; L189-I215 HydrophobicContact CD1-CG2 4.3Å; L189-I215 HydrophobicContact CD2-CG2 3.62Å; L189-G217 WeakPolarHBondContact CD2-O 3.41Å; L189-R218 CarbonylContact O-C 3.59Å; L189-R218 WeakPolarHBondContact O-CA 3.18Å; L189-V219 WeakPolarHBondContact CD2-O 3.48Å; L189-P220 HydrophobicContact CB-CB 4.16Å; L189-G245 CarbonylContact C-O 3.56Å; L189-F246 HydrophobicContact CD1-CB 4.08Å
190S84.2Confident75Confident13 Ų1339.7 Ų39.79%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-154.275178.3-173.40000109.3R218 G243 F244 G245S190-R218 PolarHBondContact OG-NE 3.48Å; S190-G243 CarbonylContact O-C 3.54Å; S190-G243 VanDerWaalsContact O-C 3.24Å; S190-G243 VanDerWaalsContact O-CA 3.26Å; S190-G243 WeakPolarHBondContact O-CA 3.35Å; S190-F244 PolarHBondContact O-N 2.93Å; S190-F244 VanDerWaalsContact O-N 3.11Å; S190-F244 PolarHBondContact OG-N 3.48Å; S190-G245 WeakPolarHBondContact CA-O 3.36Å; S190-G245 PolarHBondContact N-O 2.67Å; S190-G245 WeakPolarHBondContact O-CA 3.34Å; S190-G245 PolarHBondContact O-N 2.98Å
191I84.6Confident75.4Confident1 Ų139 Ų391%0.00523%0.228CC..  trans-110.2161.6179.1-59.4177.1000107.6Y164 L189 D200 L202 C216 G217 F235 F246Y164-I191 HydrophobicContact CE1-CG1 4.46Å; L189-I191 HydrophobicContact CD1-CD1 3.72Å; L189-I191 HydrophobicContact CD1-CG1 4.25Å; L189-I191 HydrophobicContact CG-CD1 4.39Å; L189-I191 HydrophobicContact CG-CG1 4.45Å; I191-D200 HydrophobicContact CG2-CB 3.38Å; I191-L202 HydrophobicContact CD1-CB 4.11Å; I191-C216 HydrophobicContact CG2-CB 4.25Å; I191-G217 PolarHBondContact N-O 3.07Å; I191-G217 CarbonylContact O-C 3.57Å; I191-G217 VanDerWaalsContact O-CA 3.28Å; I191-G217 WeakPolarHBondContact O-CA 3.37Å; I191-G217 PolarHBondContact O-N 2.85Å; I191-F235 HydrophobicContact CD1-CD2 4.21Å; I191-F235 HydrophobicContact CD1-CE2 3.88Å; I191-F235 HydrophobicContact CG1-CE2 4.23Å; I191-F235 HydrophobicContact CG2-CE2 4.35Å; I191-F246 HydrophobicContact CD1-CD1 4.35Å
192E83.1Confident75.7Confident27 Ų2738.9 Ų38.913%0.12623%0.227CC..  trans-50.2147.3167.7-164.4-168.8-162.200110.8Y164 V194 F199 D200 C216 G217 V241Y164-E192 PolarHBondContact OH-N 2.97Å; E192-V194 HydrophobicContact CG-CG1 4.34Å; E192-F199 WeakPolarHBondContact OE2-CB 3.25Å; E192-F199 WeakPolarHBondContact OE2-CD2 3.24Å; E192-D200 HydrophobicContact CB-CB 3.92Å; E192-C216 VanDerWaalsContact O-CB 3.3Å; E192-C216 WeakPolarHBondContact O-CB 3.48Å; E192-G217 PolarHBondContact O-N 3.24Å; E192-V241 HydrophobicContact CB-CG1 4.5Å; E192-V241 HydrophobicContact CG-CB 3.91Å; E192-V241 HydrophobicContact CG-CG1 3.82Å; E192-V241 WeakPolarHBondContact OE1-CG2 3.49Å
193S73.4Confident76Confident91 Ų9141.1 Ų41.164%0.63624%0.238SC*.  trans-119.9108.1178.4-162.40000110.4
194V62.4Low76.5Confident41 Ų4141.1 Ų41.125%0.24824%0.238CC..  trans-135.9155.8173.4-63.30000110.6E192 S196 C197 F199E192-V194 HydrophobicContact CG-CG1 4.34Å; V194-S196 PolarHBondContact O-N 2.75Å; V194-C197 PolarHBondContact O-N 2.92Å; V194-F199 HydrophobicContact CB-CD2 4.28Å; V194-F199 HydrophobicContact CG1-CD2 3.77Å; V194-F199 HydrophobicContact CG1-CE2 3.98Å; V194-F199 HydrophobicContact CG2-CB 4.35Å; V194-F199 HydrophobicContact CG2-CD2 3.75Å; V194-F199 HydrophobicContact CG2-CE2 4.31Å; V194-F199 HydrophobicContact CG2-CG 4.21Å
195A48.7Very low76.7Confident86 Ų8642.5 Ų42.571%0.71125%0.247SC*.G310 helixtrans-51.7127.9179.300000111.7C197 L198A195-C197 PolarHBondContact O-N 2.75Å; A195-L198 WeakPolarHBondContact O-CG 2.99Å
196S54.1Low76.9Confident95 Ų9541.3 Ų41.366%0.66424%0.243SC*.G310 helixtrans62.512.7-176.8-53.60000116.8V194 L198 R214V194-S196 PolarHBondContact O-N 2.75Å; S196-L198 PolarHBondContact O-N 2.03Å; S196-R214 PolarHBondContact O-NH1 3.29Å
197C69.2Low76.8Confident18 Ų1844.4 Ų44.412%0.12226%0.257CS..G310 helixtrans50.355.6178.2-55.60000112.3V194 A195 R201 R214 C216V194-C197 PolarHBondContact O-N 2.92Å; A195-C197 PolarHBondContact O-N 2.75Å; C197-R201 HydrophobicContact CB-CB 4.14Å; C197-R201 VanDerWaalsContact O-CD 3.3Å; C197-R201 WeakPolarHBondContact O-CD 3.43Å; C197-R214 HydrophobicContact CB-CG 3.97Å; C197-C216 WeakPolarHBondContact CA-SG 3.43Å; C197-C216 HydrophobicContact CB-CB 3.57Å; C197-C216 WeakPolarHBondContact CB-SG 3.32Å; C197-C216 WeakPolarHBondContact SG-CB 3.31Å; C197-C216 PolarHBondContact SG-N 2.68Å; C197-C216 VanDerWaalsContact SG-N 3.38Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 2.9Å
198L68.3Low76.3Confident110 Ų11045.6 Ų45.658%0.57627%0.274SS*.  trans-80.5-35.2-171.9-67.6173.7000113.7A195 S196A195-L198 WeakPolarHBondContact O-CG 2.99Å; S196-L198 PolarHBondContact O-N 2.03Å
199F79.1Confident75.8Confident100 Ų10051.3 Ų51.344%0.43930%0.296SS..SBendtrans-86.6-107.4177.4-54.7-35.5000108.6E192 V194 R201 D238E192-F199 WeakPolarHBondContact OE2-CB 3.25Å; E192-F199 WeakPolarHBondContact OE2-CD2 3.24Å; V194-F199 HydrophobicContact CB-CD2 4.28Å; V194-F199 HydrophobicContact CG1-CD2 3.77Å; V194-F199 HydrophobicContact CG1-CE2 3.98Å; V194-F199 HydrophobicContact CG2-CB 4.35Å; V194-F199 HydrophobicContact CG2-CD2 3.75Å; V194-F199 HydrophobicContact CG2-CE2 4.31Å; V194-F199 HydrophobicContact CG2-CG 4.21Å; F199-R201 PolarHBondContact O-NH1 2.77Å; F199-D238 HydrophobicContact CB-CB 3.91Å
200D86.1Confident74.6Confident1 Ų152.7 Ų52.71%0.00531%0.312CS..SBendtrans-69.9136.6177.3-62.7-6.3000112.5Y164 I191 E192 C216 V236 S237 D238Y164-D200 WeakPolarHBondContact CE2-OD2 3.14Å; Y164-D200 PolarHBondContact OH-OD2 3.42Å; I191-D200 HydrophobicContact CG2-CB 3.38Å; E192-D200 HydrophobicContact CB-CB 3.92Å; D200-C216 WeakPolarHBondContact O-CB 3.4Å; D200-V236 WeakPolarHBondContact CA-O 3.38Å; D200-S237 WeakPolarHBondContact OD1-CA 2.96Å; D200-S237 WeakPolarHBondContact OD1-CB 3.06Å; D200-D238 WeakPolarHBondContact OD1-CB 3.39Å; D200-D238 PolarHBondContact OD1-N 2.76Å
201R88.4Confident73.2Confident50 Ų5056.9 Ų56.919%0.18934%0.342CS..EExtended strand (participates in β ladder)trans-162.9152.7-177.963.4-168.3-173.5-75-7.8114.1C197 F199 E203 R214 I215 F235 V236C197-R201 HydrophobicContact CB-CB 4.14Å; C197-R201 VanDerWaalsContact O-CD 3.3Å; C197-R201 WeakPolarHBondContact O-CD 3.43Å; F199-R201 PolarHBondContact O-NH1 2.77Å; R201-E203 WeakPolarHBondContact CD-OE1 3.24Å; R201-E203 HydrophobicContact CG-CG 4.19Å; R201-E203 IonicContact NE-OE1 2.78Å; R201-E203 PolarHBondContact NE-OE1 3.08Å; R201-E203 IonicContact NE-OE2 3.79Å; R201-R214 HydrophobicContact CB-CG 4.08Å; R201-I215 WeakPolarHBondContact CA-O 3.5Å; R201-F235 WeakPolarHBondContact O-CD2 3.25Å; R201-V236 HydrophobicContact CG-CB 4.38Å; R201-V236 PolarHBondContact N-O 2.88Å; R201-V236 PolarHBondContact O-N 3.17Å
202L88.8Confident72.1Confident1 Ų161.2 Ų61.21%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-109.6123.6166.9-173.767.1000108.9I186 L189 I191 R214 I215 V233 A234 F235 F246I186-L202 HydrophobicContact CD1-CD2 3.54Å; L189-L202 HydrophobicContact CD1-CD2 4.44Å; I191-L202 HydrophobicContact CD1-CB 4.11Å; L202-R214 CarbonylContact O-C 3.42Å; L202-R214 WeakPolarHBondContact O-CA 3.42Å; L202-I215 HydrophobicContact CB-CB 4.4Å; L202-I215 HydrophobicContact CD2-CD1 4.14Å; L202-I215 PolarHBondContact N-O 3.11Å; L202-I215 PolarHBondContact O-N 2.85Å; L202-V233 HydrophobicContact CD1-CG1 3.61Å; L202-V233 HydrophobicContact CG-CG1 4.28Å; L202-A234 CarbonylContact C-O 3.57Å; L202-A234 WeakPolarHBondContact CA-O 3.04Å; L202-F235 HydrophobicContact CD1-CB 3.99Å; L202-F246 HydrophobicContact CD1-CD1 4.38Å; L202-F246 HydrophobicContact CD1-CE1 3.77Å; L202-F246 HydrophobicContact CD1-CE2 4.31Å; L202-F246 HydrophobicContact CD1-CZ 3.73Å; L202-F246 HydrophobicContact CD2-CD1 4.45Å; L202-F246 HydrophobicContact CD2-CD2 4.38Å; L202-F246 HydrophobicContact CD2-CE2 4.5Å; L202-F246 HydrophobicContact CD2-CG 4.37Å
203E86.4Confident71.4Confident48 Ų4863.1 Ų63.122%0.22438%0.375CS..EExtended strand (participates in β ladder)trans-116.3128.6-177.8-66.3-178.8148.100110.1R201 R214 V233 A234R201-E203 WeakPolarHBondContact CD-OE1 3.24Å; R201-E203 HydrophobicContact CG-CG 4.19Å; R201-E203 IonicContact NE-OE1 2.78Å; R201-E203 PolarHBondContact NE-OE1 3.08Å; R201-E203 IonicContact NE-OE2 3.79Å; E203-R214 HydrophobicContact CG-CB 4.34Å; E203-R214 HydrophobicContact CG-CG 4.07Å; E203-R214 IonicContact OE1-CZ 3.54Å; E203-R214 IonicContact OE1-NE 3.84Å; E203-R214 PolarHBondContact OE1-NE 3.46Å; E203-R214 IonicContact OE1-NH2 2.74Å; E203-R214 PolarHBondContact OE1-NH2 2.94Å; E203-V233 WeakPolarHBondContact O-CA 3.13Å; E203-A234 PolarHBondContact N-O 2.74Å; E203-A234 PolarHBondContact O-N 3.32Å
204I85.7Confident71.4Confident1 Ų164.3 Ų64.31%0.00537%0.366CS..EExtended strand (participates in β ladder)trans-119.5121.7-175-59.6174.6000108.8L184 I186 L212 L213 I215 L224 L231 V233L184-I204 HydrophobicContact CD2-CD1 3.87Å; L184-I204 HydrophobicContact CD2-CG1 4.5Å; L184-I204 HydrophobicContact CD2-CG2 4.25Å; I186-I204 HydrophobicContact CD1-CD1 4.35Å; I204-L212 PolarHBondContact O-N 2.95Å; I204-L213 PolarHBondContact N-O 2.87Å; I204-L213 PolarHBondContact O-N 3.22Å; I204-I215 HydrophobicContact CD1-CD1 3.57Å; I204-I215 HydrophobicContact CG1-CD1 4.36Å; I204-L224 HydrophobicContact CD1-CD1 3.56Å; I204-L224 HydrophobicContact CG2-CD1 4.42Å; I204-L231 HydrophobicContact CG2-CD1 3.77Å; I204-L231 HydrophobicContact CG2-CD2 4.35Å; I204-L231 HydrophobicContact CG2-CG 4.32Å; I204-V233 HydrophobicContact CG1-CG1 4.28Å; I204-V233 HydrophobicContact CG1-CG2 4.43Å
205S83.3Confident72.2Confident30 Ų3063 Ų6321%0.2136%0.357CS..EExtended strand (participates in β ladder)trans-135.7107.6-173.2-69.20000111.8S211 L232S205-S211 WeakPolarHBondContact OG-CA 3.48Å; S205-S211 PolarHBondContact OG-N 3.45Å; S205-L232 PolarHBondContact N-O 2.96Å; S205-L232 PolarHBondContact O-N 3.27Å
206P81Confident73.7Confident9 Ų959.9 Ų59.96%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-68.2133.8170.728-33000109.8E209 G210 L212 A228 L231P206-E209 PolarHBondContact O-N 2.03Å; P206-G210 PolarHBondContact O-N 2.91Å; P206-L212 HydrophobicContact CG-CB 4.25Å; P206-A228 HydrophobicContact CB-CB 3.84Å; P206-L231 HydrophobicContact CB-CD1 4.12Å
207E78.3Confident74.7Confident71 Ų7155.5 Ų55.533%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-93126.6172.4-64.6-177.9164.600107.8R173 H230R173-E207 IonicContact CZ-OE1 2.75Å; R173-E207 IonicContact NH1-OE1 2.79Å; R173-E207 PolarHBondContact NH1-OE1 3.12Å; R173-E207 IonicContact NH1-OE2 2.71Å; R173-E207 PolarHBondContact NH1-OE2 3.32Å; R173-E207 IonicContact NH2-OE1 2.84Å; E207-H230 HydrophobicContact CB-CB 4Å; E207-H230 PolarHBondContact N-O 2.8Å
208P62.9Low74.6Confident126 Ų12662 Ų6282%0.81832%0.321SS*.THydrogen-bonded Turncis-101.5-5.418.638.5-36000116.7
209E61.1Low74.3Confident148 Ų14862.2 Ų62.269%0.69233%0.327SS*.THydrogen-bonded Turntrans-84.5-22-162.2-60.5-172.6133.100115.2P206 N227P206-E209 PolarHBondContact O-N 2.03Å; E209-N227 PolarHBondContact OE2-ND2 3.02Å
210G58.3Low73.7Confident39 Ų3959.8 Ų59.840%0.40232%0.321SS..  trans89147.4163.900000117.2P206P206-G210 PolarHBondContact O-N 2.91Å
211S54.6Low72.7Confident102 Ų10260.9 Ų60.971%0.71333%0.328SS*.  trans31.982.5171.862.80000116.6S205S205-S211 WeakPolarHBondContact OG-CA 3.48Å; S205-S211 PolarHBondContact OG-N 3.45Å
212L60.6Low71.1Confident91 Ų9161.4 Ų61.448%0.47634%0.338SS..  trans-80.8-41.6175.5-174.473.2000112I204 P206I204-L212 PolarHBondContact O-N 2.95Å; P206-L212 HydrophobicContact CG-CB 4.25Å
213L68.1Low69.9Low67 Ų6761.6 Ų61.635%0.35134%0.34SS..EExtended strand (participates in β ladder)trans-156.2145.5-173.3-163.959.4000112.7I204 I215 P221 L224I204-L213 PolarHBondContact N-O 2.87Å; I204-L213 PolarHBondContact O-N 3.22Å; L213-I215 HydrophobicContact CD2-CD1 4Å; L213-I215 HydrophobicContact CD2-CG1 3.74Å; L213-I215 HydrophobicContact CG-CD1 4.39Å; L213-I215 HydrophobicContact CG-CG1 3.75Å; L213-P221 HydrophobicContact CD2-CB 4.24Å; L213-P221 HydrophobicContact CD2-CG 4.45Å; L213-L224 HydrophobicContact CD2-CD1 4.36Å; L213-L224 HydrophobicContact CD2-CD2 4.34Å
214R75.1Confident68.9Low116 Ų11660.8 Ų60.844%0.43834%0.337SS..EExtended strand (participates in β ladder)trans-118.8134.6163.9178.2-174.4-71.2173.2-5108.2S196 C197 R201 L202 E203S196-R214 PolarHBondContact O-NH1 3.29Å; C197-R214 HydrophobicContact CB-CG 3.97Å; R201-R214 HydrophobicContact CB-CG 4.08Å; L202-R214 CarbonylContact O-C 3.42Å; L202-R214 WeakPolarHBondContact O-CA 3.42Å; E203-R214 HydrophobicContact CG-CB 4.34Å; E203-R214 HydrophobicContact CG-CG 4.07Å; E203-R214 IonicContact OE1-CZ 3.54Å; E203-R214 IonicContact OE1-NE 3.84Å; E203-R214 PolarHBondContact OE1-NE 3.46Å; E203-R214 IonicContact OE1-NH2 2.74Å; E203-R214 PolarHBondContact OE1-NH2 2.94Å
215I78.4Confident68Low15 Ų1562.3 Ų62.38%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-134.1142.2-170.8-42.2156.6000109.3I186 L189 R201 L202 I204 L213 P221I186-I215 HydrophobicContact CD1-CD1 3.67Å; L189-I215 HydrophobicContact CD1-CG2 4.3Å; L189-I215 HydrophobicContact CD2-CG2 3.62Å; R201-I215 WeakPolarHBondContact CA-O 3.5Å; L202-I215 HydrophobicContact CB-CB 4.4Å; L202-I215 HydrophobicContact CD2-CD1 4.14Å; L202-I215 PolarHBondContact N-O 3.11Å; L202-I215 PolarHBondContact O-N 2.85Å; I204-I215 HydrophobicContact CD1-CD1 3.57Å; I204-I215 HydrophobicContact CG1-CD1 4.36Å; L213-I215 HydrophobicContact CD2-CD1 4Å; L213-I215 HydrophobicContact CD2-CG1 3.74Å; L213-I215 HydrophobicContact CG-CD1 4.39Å; L213-I215 HydrophobicContact CG-CG1 3.75Å; I215-P221 HydrophobicContact CD1-CG 3.83Å; I215-P221 HydrophobicContact CG1-CG 4.47Å
216C79.6Confident67.4Low20 Ų2061.5 Ų61.514%0.13534%0.339CS..  trans-152.3-178.8168.666.50000109.6I191 E192 C197 D200I191-C216 HydrophobicContact CG2-CB 4.25Å; E192-C216 VanDerWaalsContact O-CB 3.3Å; E192-C216 WeakPolarHBondContact O-CB 3.48Å; C197-C216 WeakPolarHBondContact CA-SG 3.43Å; C197-C216 HydrophobicContact CB-CB 3.57Å; C197-C216 WeakPolarHBondContact CB-SG 3.32Å; C197-C216 WeakPolarHBondContact SG-CB 3.31Å; C197-C216 PolarHBondContact SG-N 2.68Å; C197-C216 VanDerWaalsContact SG-N 3.38Å; C197-C216 CovalentContact SG-SG 2.03Å; C197-C216 PolarHBondContact SG-SG 2.9Å; D200-C216 WeakPolarHBondContact O-CB 3.4Å
217G75.9Confident67Low2 Ų266.4 Ų66.42%0.02137%0.365CS..SBendtrans78.6-151.3-179.600000115.6L189 I191 E192L189-G217 WeakPolarHBondContact CD2-O 3.41Å; I191-G217 PolarHBondContact N-O 3.07Å; I191-G217 CarbonylContact O-C 3.57Å; I191-G217 VanDerWaalsContact O-CA 3.28Å; I191-G217 WeakPolarHBondContact O-CA 3.37Å; I191-G217 PolarHBondContact O-N 2.85Å; E192-G217 PolarHBondContact O-N 3.24Å
218R66.2Low67Low155 Ų15563.5 Ų63.559%0.58535%0.352SS*.SBendtrans-112.2-3.4-161.1-64.7-73.2169.5115.7-2115.8L189 S190L189-R218 CarbonylContact O-C 3.59Å; L189-R218 WeakPolarHBondContact O-CA 3.18Å; S190-R218 PolarHBondContact OG-NE 3.48Å
219V62.9Low68.2Low114 Ų11458.7 Ų58.769%0.69132%0.322SS*.  trans-114.4116.5-175-178.60000109.3L189L189-V219 WeakPolarHBondContact CD2-O 3.48Å
220P65.4Low69.5Low49 Ų4954.4 Ų54.432%0.31830%0.302SS..PPolyproline II helixtrans-68141.9175.228.5-33.2000110.8I186 L189I186-P220 HydrophobicContact CB-CB 4.24Å; I186-P220 HydrophobicContact CG2-CB 4Å; I186-P220 WeakPolarHBondContact O-CB 3.37Å; L189-P220 HydrophobicContact CB-CB 4.16Å
221P64.8Low70.9Confident24 Ų2452.7 Ų52.716%0.15628%0.283CS..PPolyproline II helixtrans-72.8163.4175.432.4-37.6000112.2I186 L213 I215I186-P221 HydrophobicContact CD1-CG 3.92Å; L213-P221 HydrophobicContact CD2-CB 4.24Å; L213-P221 HydrophobicContact CD2-CG 4.45Å; I215-P221 HydrophobicContact CD1-CG 3.83Å; I215-P221 HydrophobicContact CG1-CG 4.47Å
222P56Low72.5Confident61 Ų6149.4 Ų49.440%0.39626%0.258SS..PPolyproline II helixtrans-56.4161.6170.8-21.732000113.4L224 L274P222-L224 PolarHBondContact O-N 3.27Å; P222-L274 HydrophobicContact CB-CD1 3.86Å; P222-L274 HydrophobicContact CG-CD1 3.72Å
223T62.7Low74Confident6 Ų645.1 Ų45.14%0.03724%0.235CC..PPolyproline II helixtrans-59.6119.2177.7-68.70000111.9Q183 K185 N225 E264Q183-T223 HydrophobicContact CG-CG2 3.5Å; K185-T223 HydrophobicContact CB-CG2 4.45Å; K185-T223 VanDerWaalsContact CD-OG1 3.28Å; K185-T223 WeakPolarHBondContact CD-OG1 3.12Å; K185-T223 VanDerWaalsContact CG-OG1 3.31Å; K185-T223 WeakPolarHBondContact CG-OG1 3.33Å; T223-N225 PolarHBondContact O-N 3.3Å; T223-E264 WeakPolarHBondContact CB-OE1 3.47Å; T223-E264 WeakPolarHBondContact CB-OE2 3.5Å; T223-E264 PolarHBondContact OG1-OE1 2.83Å; T223-E264 PolarHBondContact OG1-OE2 2.97Å
224L65.8Low75.1Confident31 Ų3142.6 Ų42.616%0.16222%0.224CC..EExtended strand (participates in β ladder)trans-86.9105.2-176.4-62.7173.3000110.3Q183 L184 I204 L213 P222Q183-L224 WeakPolarHBondContact CA-O 3.44Å; L184-L224 HydrophobicContact CB-CB 4.42Å; L184-L224 HydrophobicContact CD2-CD1 4.38Å; L184-L224 PolarHBondContact N-O 2.91Å; L184-L224 PolarHBondContact O-N 3.46Å; I204-L224 HydrophobicContact CD1-CD1 3.56Å; I204-L224 HydrophobicContact CG2-CD1 4.42Å; L213-L224 HydrophobicContact CD2-CD1 4.36Å; L213-L224 HydrophobicContact CD2-CD2 4.34Å; P222-L224 PolarHBondContact O-N 3.27Å
225N68.1Low76Confident33 Ų3337 Ų3718%0.17620%0.203CC..EExtended strand (participates in β ladder)trans-85.8111.3167.2-66.9-31000109.6Q183 T223 L270 C272Q183-N225 WeakPolarHBondContact CG-OD1 3.33Å; Q183-N225 PolarHBondContact NE2-OD1 3.36Å; T223-N225 PolarHBondContact O-N 3.3Å; N225-L270 WeakPolarHBondContact CB-O 3.42Å; N225-L270 PolarHBondContact ND2-O 3.14Å; N225-C272 PolarHBondContact ND2-SG 3.34Å
226T70.4Confident76.5Confident13 Ų1337.4 Ų37.48%0.0821%0.206CC..  trans-88.1167.1173.671.70000111.5A181 I182 A228 L231A181-T226 WeakPolarHBondContact CB-O 3.23Å; I182-T226 PolarHBondContact N-OG1 3.2Å; I182-T226 WeakPolarHBondContact O-CB 3.28Å; I182-T226 PolarHBondContact O-N 2.98Å; I182-T226 PolarHBondContact O-OG1 2.97Å; T226-A228 PolarHBondContact OG1-N 3.19Å; T226-A228 PolarHBondContact OG1-O 2.03Å; T226-L231 HydrophobicContact CG2-CD1 4.14Å; T226-L231 HydrophobicContact CG2-CD2 4.18Å
227N72.5Confident77Confident112 Ų11236.9 Ų36.960%0.59920%0.202SC*.SBendtrans-93.3-0.7165.964-12.1000112.6E209E209-N227 PolarHBondContact OE2-ND2 3.02Å
228A78.7Confident77.6Confident9 Ų938.9 Ų38.97%0.07421%0.212CC..  trans-108.4146-164.500000113A181 I182 P206 T226 H230A181-A228 WeakPolarHBondContact CA-O 3.34Å; I182-A228 PolarHBondContact N-O 2.87Å; P206-A228 HydrophobicContact CB-CB 3.84Å; T226-A228 PolarHBondContact OG1-N 3.19Å; T226-A228 PolarHBondContact OG1-O 2.03Å; A228-H230 VanDerWaalsContact C-N 3.32Å
229S86.6Confident78.5Confident26 Ų2635.3 Ų35.318%0.18221%0.211CC..SBendtrans-86.1-4.117249.80000113.6V176 A177 H180V176-S229 WeakPolarHBondContact CG2-O 3.49Å; V176-S229 PolarHBondContact N-O 2.88Å; A177-S229 WeakPolarHBondContact O-CB 3.43Å; H180-S229 WeakPolarHBondContact O-CA 3.18Å; H180-S229 VanDerWaalsContact O-CB 3.31Å; H180-S229 WeakPolarHBondContact O-CB 3.38Å
230H88.4Confident79.2Confident58 Ų5832.4 Ų32.427%0.26920%0.196SC..EExtended strand (participates in β ladder)trans-133.7128.4179.9-71.6-101.1000110.3I174 Q175 E207 A228I174-H230 WeakPolarHBondContact O-CA 3.48Å; Q175-H230 VanDerWaalsContact CD-CE1 3.47Å; Q175-H230 PolarHBondContact NE2-CE1 3.04Å; Q175-H230 VanDerWaalsContact NE2-CE1 3.28Å; E207-H230 HydrophobicContact CB-CB 4Å; E207-H230 PolarHBondContact N-O 2.8Å; A228-H230 VanDerWaalsContact C-N 3.32Å
231L87.7Confident79.7Confident2 Ų234 Ų341%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-136.1122.7-179.5-172.761.8000110.3I174 I182 L184 I204 P206 T226 V233I174-L231 HydrophobicContact CB-CB 4.27Å; I174-L231 HydrophobicContact CD1-CD2 4.43Å; I174-L231 PolarHBondContact N-O 3.33Å; I174-L231 PolarHBondContact O-N 3.29Å; I182-L231 HydrophobicContact CB-CD2 4.44Å; I182-L231 HydrophobicContact CD1-CB 3.55Å; I182-L231 HydrophobicContact CG2-CB 4.42Å; I182-L231 HydrophobicContact CG2-CD2 3.76Å; L184-L231 HydrophobicContact CB-CD2 4.29Å; L184-L231 HydrophobicContact CD2-CD2 3.83Å; I204-L231 HydrophobicContact CG2-CD1 3.77Å; I204-L231 HydrophobicContact CG2-CD2 4.35Å; I204-L231 HydrophobicContact CG2-CG 4.32Å; P206-L231 HydrophobicContact CB-CD1 4.12Å; T226-L231 HydrophobicContact CG2-CD1 4.14Å; T226-L231 HydrophobicContact CG2-CD2 4.18Å; L231-V233 HydrophobicContact CG-CG2 4.3Å
232L89.3Confident80.7Confident34 Ų3437.5 Ų37.518%0.17822%0.219CC..EExtended strand (participates in β ladder)trans-94.4126.917217966.1000109R173 S205R173-L232 HydrophobicContact CG-CD1 3.81Å; S205-L232 PolarHBondContact N-O 2.96Å; S205-L232 PolarHBondContact O-N 3.27Å
233V91.6Very high82Confident1 Ų134.8 Ų34.81%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-120.5124.8172.1-175.50000108.4F155 M171 W172 I174 L184 L202 E203 I204 L231F155-V233 HydrophobicContact CE2-CB 4.3Å; F155-V233 HydrophobicContact CE2-CG1 3.9Å; F155-V233 HydrophobicContact CZ-CB 4.39Å; F155-V233 HydrophobicContact CZ-CG1 4.19Å; F155-V233 HydrophobicContact CZ-CG2 4.19Å; M171-V233 CarbonylContact C-O 3.47Å; M171-V233 WeakPolarHBondContact CA-O 3Å; W172-V233 HydrophobicContact CE3-CG1 4.44Å; W172-V233 PolarHBondContact N-O 3.21Å; W172-V233 PolarHBondContact O-N 3.06Å; I174-V233 HydrophobicContact CD1-CG2 4.22Å; L184-V233 HydrophobicContact CD2-CG2 4.28Å; L202-V233 HydrophobicContact CD1-CG1 3.61Å; L202-V233 HydrophobicContact CG-CG1 4.28Å; E203-V233 WeakPolarHBondContact O-CA 3.13Å; I204-V233 HydrophobicContact CG1-CG1 4.28Å; I204-V233 HydrophobicContact CG1-CG2 4.43Å; L231-V233 HydrophobicContact CG-CG2 4.3Å
234A90.4Very high83.1Confident13 Ų1340 Ų4011%0.10722%0.224CC..EExtended strand (participates in β ladder)trans-121.1131.9179.300000110.5C170 M171 L202 E203C170-A234 CarbonylContact O-C 3.57Å; C170-A234 WeakPolarHBondContact O-CA 3.46Å; M171-A234 HydrophobicContact CG-CB 4.28Å; L202-A234 CarbonylContact C-O 3.57Å; L202-A234 WeakPolarHBondContact CA-O 3.04Å; E203-A234 PolarHBondContact N-O 2.74Å; E203-A234 PolarHBondContact O-N 3.32Å
235F94Very high84.2Confident0 Ų038.6 Ų38.60%022%0.217CC..EExtended strand (participates in β ladder)trans-113.9128.6171.6173.7-115.6000109.1Y164 T168 H169 C170 W172 I191 R201 L202 F246Y164-F235 HydrophobicContact CD1-CE1 4.45Å; Y164-F235 AromaticContact CD1-CZ 3.92Å; Y164-F235 HydrophobicContact CD1-CZ 3.92Å; Y164-F235 HydrophobicContact CD2-CE1 4.06Å; Y164-F235 AromaticContact CD2-CZ 3.71Å; Y164-F235 HydrophobicContact CD2-CZ 3.71Å; Y164-F235 HydrophobicContact CE1-CZ 4.06Å; Y164-F235 AromaticContact CE2-CZ 3.88Å; Y164-F235 HydrophobicContact CE2-CZ 3.88Å; Y164-F235 AromaticContact CG-CE1 3.96Å; Y164-F235 HydrophobicContact CG-CE1 3.96Å; Y164-F235 AromaticContact CG-CZ 3.73Å; Y164-F235 HydrophobicContact CG-CZ 3.73Å; T168-F235 HydrophobicContact CG2-CD1 3.88Å; T168-F235 HydrophobicContact CG2-CE1 3.96Å; H169-F235 CarbonylContact C-O 3.57Å; H169-F235 WeakPolarHBondContact CA-O 3.01Å; C170-F235 HydrophobicContact CB-CB 4.37Å; C170-F235 PolarHBondContact N-O 3.03Å; C170-F235 PolarHBondContact O-N 3.48Å; W172-F235 HydrophobicContact CH2-CB 4.2Å; W172-F235 HydrophobicContact CZ3-CB 3.79Å; I191-F235 HydrophobicContact CD1-CD2 4.21Å; I191-F235 HydrophobicContact CD1-CE2 3.88Å; I191-F235 HydrophobicContact CG1-CE2 4.23Å; I191-F235 HydrophobicContact CG2-CE2 4.35Å; R201-F235 WeakPolarHBondContact O-CD2 3.25Å; L202-F235 HydrophobicContact CD1-CB 3.99Å; F235-F246 HydrophobicContact CB-CE1 3.87Å; F235-F246 HydrophobicContact CB-CZ 4.36Å; F235-F246 HydrophobicContact CD1-CE1 4.33Å; F235-F246 HydrophobicContact CD2-CD1 4.4Å; F235-F246 AromaticContact CD2-CE1 3.98Å; F235-F246 HydrophobicContact CD2-CE1 3.98Å; F235-F246 AromaticContact CG-CE1 3.79Å; F235-F246 HydrophobicContact CG-CE1 3.79Å
236V90Very high85.3Confident22 Ų2237 Ų3713%0.13321%0.209CC..EExtended strand (participates in β ladder)trans-127133-179.9-171.40000108.4T168 D200 R201T168-V236 CarbonylContact O-C 3.4Å; T168-V236 WeakPolarHBondContact O-CA 3.41Å; D200-V236 WeakPolarHBondContact CA-O 3.38Å; R201-V236 HydrophobicContact CG-CB 4.38Å; R201-V236 PolarHBondContact N-O 2.88Å; R201-V236 PolarHBondContact O-N 3.17Å
237S90.6Very high86.2Confident9 Ų938.4 Ų38.46%0.06322%0.215CC..  trans-122.9154.6167.467.20000113.7P165 N167 T168 D200P165-S237 PolarHBondContact O-OG 3.28Å; N167-S237 WeakPolarHBondContact CA-O 3.48Å; N167-S237 PolarHBondContact N-OG 2.85Å; T168-S237 VanDerWaalsContact CB-OG 3.27Å; T168-S237 WeakPolarHBondContact CB-OG 3.47Å; T168-S237 PolarHBondContact N-OG 3.4Å; T168-S237 PolarHBondContact O-N 2.76Å; D200-S237 WeakPolarHBondContact OD1-CA 2.96Å; D200-S237 WeakPolarHBondContact OD1-CB 3.06Å
238D87.5Confident87Confident44 Ų4433.1 Ų33.124%0.23519%0.186CC..  trans-84.5-179.2179165.4-86.1000111.4P166 N167 F199 D200 S240P166-D238 CarbonylContact C-O 3.51Å; P166-D238 VanDerWaalsContact CA-O 3.25Å; P166-D238 WeakPolarHBondContact CA-O 3.5Å; P166-D238 VanDerWaalsContact CB-O 3.24Å; P166-D238 WeakPolarHBondContact CB-O 3.37Å; N167-D238 PolarHBondContact N-O 3.41Å; F199-D238 HydrophobicContact CB-CB 3.91Å; D200-D238 WeakPolarHBondContact OD1-CB 3.39Å; D200-D238 PolarHBondContact OD1-N 2.76Å; D238-S240 PolarHBondContact O-N 3.03Å; D238-S240 PolarHBondContact OD1-N 3.28Å; D238-S240 PolarHBondContact OD1-OG 3.25Å
239S86.2Confident87.3Confident80 Ų8034.7 Ų34.756%0.55919%0.19SC*.SBendtrans-71-1.6175.557.40000116.6
240S77.4Confident87.2Confident53 Ų5333.9 Ų33.937%0.37118%0.183SC..SBendtrans-151.9170.5-166.222.40000114.1D238D238-S240 PolarHBondContact O-N 3.03Å; D238-S240 PolarHBondContact OD1-N 3.28Å; D238-S240 PolarHBondContact OD1-OG 3.25Å
241V75.6Confident87Confident84 Ų8434 Ų3451%0.50918%0.184SC..  trans56.857.9170.6-157.80000115.3E192 G243E192-V241 HydrophobicContact CB-CG1 4.5Å; E192-V241 HydrophobicContact CG-CB 3.91Å; E192-V241 HydrophobicContact CG-CG1 3.82Å; E192-V241 WeakPolarHBondContact OE1-CG2 3.49Å; V241-G243 PolarHBondContact O-N 2.66Å
242E84.8Confident86.7Confident97 Ų9735 Ų3545%0.45319%0.193SC..  trans-66.9121.3179.5-54.193.8144.800113.4P163 Y164 P166P163-E242 HydrophobicContact CB-CB 4.09Å; Y164-E242 WeakPolarHBondContact O-CG 3.38Å; P166-E242 HydrophobicContact CB-CG 4.49Å; P166-E242 WeakPolarHBondContact CD-OE1 3.22Å
243G83.3Confident86.1Confident4 Ų434 Ų344%0.04119%0.188CC..  trans-92.4176.5167.400000113.8P163 Y164 S190 V241 G245P163-G243 WeakPolarHBondContact CA-O 3.32Å; P163-G243 WeakPolarHBondContact CB-O 3.36Å; Y164-G243 WeakPolarHBondContact CD1-O 3.36Å; Y164-G243 WeakPolarHBondContact CE1-O 3.35Å; Y164-G243 VanDerWaalsContact CZ-N 3.27Å; Y164-G243 PolarHBondContact N-O 2.88Å; Y164-G243 PolarHBondContact OH-N 3.12Å; Y164-G243 VanDerWaalsContact OH-N 3.15Å; S190-G243 CarbonylContact O-C 3.54Å; S190-G243 VanDerWaalsContact O-C 3.24Å; S190-G243 VanDerWaalsContact O-CA 3.26Å; S190-G243 WeakPolarHBondContact O-CA 3.35Å; V241-G243 PolarHBondContact O-N 2.66Å; G243-G245 PolarHBondContact O-N 3.03Å; G243-G245 VanDerWaalsContact O-N 3.16Å
244F86.1Confident85.1Confident115 Ų11536.6 Ų36.650%0.50421%0.209SC..  trans-70.6-4.7178-61-62.8000114Y160 P163 S190Y160-F244 WeakPolarHBondContact CD2-O 3.46Å; P163-F244 HydrophobicContact CG-CD1 4.02Å; P163-F244 HydrophobicContact CG-CE1 4.21Å; S190-F244 PolarHBondContact O-N 2.93Å; S190-F244 VanDerWaalsContact O-N 3.11Å; S190-F244 PolarHBondContact OG-N 3.48Å
245G89.8Confident83.6Confident1 Ų140 Ų401%0.0123%0.23CC..EExtended strand (participates in β ladder)trans81.7-145.5175.100000113.7S157 Y164 L189 S190 G243S157-G245 VanDerWaalsContact OG-CA 3.26Å; S157-G245 WeakPolarHBondContact OG-CA 3.39Å; Y164-G245 VanDerWaalsContact CD1-CA 3.41Å; L189-G245 CarbonylContact C-O 3.56Å; S190-G245 WeakPolarHBondContact CA-O 3.36Å; S190-G245 PolarHBondContact N-O 2.67Å; S190-G245 WeakPolarHBondContact O-CA 3.34Å; S190-G245 PolarHBondContact O-N 2.98Å; G243-G245 PolarHBondContact O-N 3.03Å; G243-G245 VanDerWaalsContact O-N 3.16Å
246F90.4Very high81.6Confident0 Ų042.9 Ų42.90%026%0.261CS..EExtended strand (participates in β ladder)trans-146.3156.3-174.572.1-92.2000113.4F155 S156 S157 Y160 W172 A188 L189 I191 L202 F235 A248F155-F246 AromaticContact CD2-CE2 3.82Å; F155-F246 HydrophobicContact CD2-CE2 3.82Å; F155-F246 HydrophobicContact CD2-CZ 4.34Å; F155-F246 AromaticContact CE2-CE2 3.71Å; F155-F246 HydrophobicContact CE2-CE2 3.71Å; F155-F246 HydrophobicContact CE2-CZ 4.27Å; S156-F246 WeakPolarHBondContact CA-O 3.47Å; S156-F246 WeakPolarHBondContact CB-O 3.1Å; S157-F246 PolarHBondContact N-O 2.85Å; S157-F246 VanDerWaalsContact N-O 3.1Å; S157-F246 PolarHBondContact OG-N 2.91Å; Y160-F246 WeakPolarHBondContact CD2-O 3.47Å; W172-F246 HydrophobicContact CH2-CE1 4.35Å; W172-F246 AromaticContact CH2-CZ 3.71Å; W172-F246 HydrophobicContact CH2-CZ 3.71Å; W172-F246 HydrophobicContact CZ3-CE1 4.47Å; W172-F246 AromaticContact CZ3-CZ 3.74Å; W172-F246 HydrophobicContact CZ3-CZ 3.74Å; A188-F246 WeakPolarHBondContact O-CA 3.28Å; A188-F246 VanDerWaalsContact O-CB 3.27Å; A188-F246 WeakPolarHBondContact O-CB 3.32Å; L189-F246 HydrophobicContact CD1-CB 4.08Å; I191-F246 HydrophobicContact CD1-CD1 4.35Å; L202-F246 HydrophobicContact CD1-CD1 4.38Å; L202-F246 HydrophobicContact CD1-CE1 3.77Å; L202-F246 HydrophobicContact CD1-CE2 4.31Å; L202-F246 HydrophobicContact CD1-CZ 3.73Å; L202-F246 HydrophobicContact CD2-CD1 4.45Å; L202-F246 HydrophobicContact CD2-CD2 4.38Å; L202-F246 HydrophobicContact CD2-CE2 4.5Å; L202-F246 HydrophobicContact CD2-CG 4.37Å; F235-F246 HydrophobicContact CB-CE1 3.87Å; F235-F246 HydrophobicContact CB-CZ 4.36Å; F235-F246 HydrophobicContact CD1-CE1 4.33Å; F235-F246 HydrophobicContact CD2-CD1 4.4Å; F235-F246 AromaticContact CD2-CE1 3.98Å; F235-F246 HydrophobicContact CD2-CE1 3.98Å; F235-F246 AromaticContact CG-CE1 3.79Å; F235-F246 HydrophobicContact CG-CE1 3.79Å; F246-A248 HydrophobicContact CD2-CB 4.39Å
247H89.5Confident79.8Confident43 Ų4347.3 Ų47.320%0.19928%0.28CS..EExtended strand (participates in β ladder)trans-127.8138.1166.9-170.854000110.4F154 F155 S156 Y160 E187 A188F154-H247 AromaticContact CD1-NE2 3.75Å; F155-H247 PolarHBondContact O-ND1 2.85Å; S156-H247 PolarHBondContact OG-ND1 2.57Å; Y160-H247 HydrophobicContact CD1-CB 4.25Å; Y160-H247 HydrophobicContact CE1-CB 3.7Å; Y160-H247 HydrophobicContact CE2-CB 4.12Å; E187-H247 PolarHBondContact N-O 2.92Å; E187-H247 IonicContact OE2-CD2 3.23Å; A188-H247 HydrophobicContact CB-CB 4.47Å; A188-H247 PolarHBondContact N-O 3.44Å; A188-H247 PolarHBondContact O-N 2.89Å; A188-H247 VanDerWaalsContact O-N 3.07Å
248A88.4Confident78Confident1 Ų147.2 Ų47.21%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-146.4152.8-176.800000112.1F154 F155 L184 K185 I186 F246F154-A248 CarbonylContact C-O 3.58Å; F154-A248 WeakPolarHBondContact CA-O 3.23Å; F155-A248 HydrophobicContact CD1-CB 4.25Å; F155-A248 HydrophobicContact CE1-CB 3.77Å; F155-A248 HydrophobicContact CE2-CB 4.26Å; F155-A248 HydrophobicContact CZ-CB 3.78Å; F155-A248 PolarHBondContact N-O 2.85Å; F155-A248 PolarHBondContact O-N 3.27Å; F155-A248 VanDerWaalsContact O-O 3.09Å; L184-A248 HydrophobicContact CD1-CB 4.25Å; K185-A248 CarbonylContact O-C 3.59Å; K185-A248 VanDerWaalsContact O-CA 3.24Å; K185-A248 WeakPolarHBondContact O-CA 3.07Å; K185-A248 WeakPolarHBondContact O-CB 3.32Å; I186-A248 HydrophobicContact CG1-CB 4.06Å; F246-A248 HydrophobicContact CD2-CB 4.39Å
249W85.6Confident76.7Confident41 Ų4147.8 Ų47.816%0.15529%0.287CS..EExtended strand (participates in β ladder)trans-131.7153.2170.461.9-104.7000112G153 F154 Q183 L184 K185 E187 Q251G153-W249 CarbonylContact O-C 3.56Å; G153-W249 VanDerWaalsContact O-CA 3.26Å; G153-W249 WeakPolarHBondContact O-CA 3.37Å; G153-W249 WeakPolarHBondContact O-CB 3.27Å; F154-W249 HydrophobicContact CD1-CB 3.54Å; F154-W249 HydrophobicContact CD1-CG 4.39Å; F154-W249 HydrophobicContact CE1-CB 3.64Å; F154-W249 HydrophobicContact CE1-CG 4.09Å; F154-W249 HydrophobicContact CG-CB 4.13Å; F154-W249 HydrophobicContact CZ-CB 4.31Å; Q183-W249 HydrophobicContact CG-CZ3 4.49Å; L184-W249 WeakPolarHBondContact CA-O 3.47Å; L184-W249 WeakPolarHBondContact CD1-O 3.47Å; K185-W249 HydrophobicContact CB-CD2 4.1Å; K185-W249 HydrophobicContact CB-CH2 4.07Å; K185-W249 HydrophobicContact CB-CZ2 3.63Å; K185-W249 HydrophobicContact CB-CZ3 4.49Å; K185-W249 HydrophobicContact CD-CZ2 3.67Å; K185-W249 HydrophobicContact CG-CZ2 4.23Å; K185-W249 PolarHBondContact N-O 2.03Å; K185-W249 PolarHBondContact O-N 2.98Å; E187-W249 VanDerWaalsContact CD-NE1 3.31Å; E187-W249 PolarHBondContact OE1-NE1 2.93Å; W249-Q251 HydrophobicContact CZ3-CG 4.07Å
250Y85.5Confident75.7Confident9 Ų945 Ų454%0.03527%0.267CS..EExtended strand (participates in β ladder)trans-126.7154.5174.773.7-88000111.2L148 R152 G153 F155 I174 Q183L148-Y250 HydrophobicContact CB-CE1 3.92Å; L148-Y250 HydrophobicContact CD1-CE1 4.02Å; R152-Y250 CarbonylContact C-O 3.57Å; R152-Y250 WeakPolarHBondContact CA-O 3.5Å; G153-Y250 PolarHBondContact N-O 2.98Å; G153-Y250 WeakPolarHBondContact O-CD1 3.5Å; G153-Y250 PolarHBondContact O-N 2.82Å; F155-Y250 HydrophobicContact CD1-CD1 4.48Å; I174-Y250 HydrophobicContact CD1-CD1 3.94Å; I174-Y250 HydrophobicContact CD1-CG 4.07Å; I174-Y250 HydrophobicContact CG1-CD1 4.24Å; I174-Y250 HydrophobicContact CG1-CE1 4.45Å; I174-Y250 HydrophobicContact CG2-CD1 4.08Å; I174-Y250 HydrophobicContact CG2-CD2 3.43Å; I174-Y250 VanDerWaalsContact CG2-CD2 3.43Å; I174-Y250 HydrophobicContact CG2-CE1 4.19Å; I174-Y250 HydrophobicContact CG2-CE2 3.56Å; I174-Y250 HydrophobicContact CG2-CG 3.72Å; Q183-Y250 CarbonylContact O-C 3.42Å; Q183-Y250 WeakPolarHBondContact O-CA 3.08Å; Q183-Y250 WeakPolarHBondContact O-CB 3.46Å
251Q82.4Confident74.9Confident60 Ų6043.3 Ų43.328%0.2826%0.257SS..EExtended strand (participates in β ladder)trans-142.2156.7165.972.9-179.8-10.500112.8P151 R152 Q183 W249 V253P151-Q251 WeakPolarHBondContact O-CA 3.44Å; R152-Q251 HydrophobicContact CB-CB 4.16Å; Q183-Q251 HydrophobicContact CB-CG 4.27Å; Q183-Q251 PolarHBondContact N-O 2.97Å; Q183-Q251 PolarHBondContact O-N 2.94Å; W249-Q251 HydrophobicContact CZ3-CG 4.07Å; Q251-V253 HydrophobicContact CG-CG1 4.07Å
252A82.4Confident73.8Confident24 Ų2448.3 Ų48.320%0.19827%0.274CS..EExtended strand (participates in β ladder)trans-80.8123172.300000110P151 V176 H180 A181P151-A252 HydrophobicContact CB-CB 4.28Å; P151-A252 PolarHBondContact O-N 2.87Å; V176-A252 HydrophobicContact CB-CB 3.95Å; V176-A252 HydrophobicContact CG1-CB 3.7Å; H180-A252 HydrophobicContact CB-CB 4.07Å; A181-A252 WeakPolarHBondContact O-CA 3.42Å
253V76.5Confident72.7Confident14 Ų1447.2 Ų47.29%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-117.8157.7176.5-62.20000110.8H180 A181 Q183 Q251H180-V253 WeakPolarHBondContact CA-O 3.46Å; A181-V253 HydrophobicContact CB-CG2 4.21Å; A181-V253 PolarHBondContact N-O 2.86Å; A181-V253 PolarHBondContact O-N 2.88Å; Q183-V253 HydrophobicContact CB-CG1 3.84Å; Q183-V253 HydrophobicContact CB-CG2 4.22Å; Q251-V253 HydrophobicContact CG-CG1 4.07Å
254A70.2Confident71.8Confident54 Ų5448.2 Ų48.245%0.44628%0.275SS..  trans-72.6130.9176.800000110.5G256 H257A254-G256 PolarHBondContact O-N 3.39Å; A254-H257 HydrophobicContact CB-CB 4.43Å; A254-H257 PolarHBondContact O-N 3.04Å
255P60.3Low71Confident84 Ų8445.9 Ų45.955%0.54527%0.265SS..THydrogen-bonded Turntrans-63.3129.8-18026.6-34.4000110.1D179 H257D179-P255 WeakPolarHBondContact O-CD 3.34Å; D179-P255 WeakPolarHBondContact O-CG 3.02Å; P255-H257 VanDerWaalsContact C-N 3.33Å
256G51.6Low70.2Confident62 Ų6250.9 Ų50.964%0.63928%0.283SS*.THydrogen-bonded Turntrans80.45.7-173.400000115A254A254-G256 PolarHBondContact O-N 3.39Å
257H50.7Low69.2Low115 Ų11551 Ų5153%0.53228%0.284SS..  trans-131.862.4169.2-140.482.8000112.4A254 P255 S259 R266A254-H257 HydrophobicContact CB-CB 4.43Å; A254-H257 PolarHBondContact O-N 3.04Å; P255-H257 VanDerWaalsContact C-N 3.33Å; H257-S259 PolarHBondContact O-N 2.88Å; H257-R266 PolarHBondContact CE1-NH2 2.98Å; H257-R266 PolarHBondContact NE2-NH1 3.23Å; H257-R266 PolarHBondContact NE2-NH2 2.8Å
258G52.8Low67.9Low6 Ų655.6 Ų55.66%0.06231%0.31CS..  trans-61.899.1170.700000111.3R266G258-R266 VanDerWaalsContact O-CZ 3.26Å; G258-R266 PolarHBondContact O-NE 3.43Å; G258-R266 PolarHBondContact O-NH2 2.04Å
259S61.8Low66.4Low57 Ų5762.4 Ų62.440%0.39934%0.342SS..PPolyproline II helixtrans-85.8116.9161.953.80000108.4Q183 H257Q183-S259 PolarHBondContact NE2-O 3.32Å; H257-S259 PolarHBondContact O-N 2.88Å
260C65.1Low65Low21 Ų2164 Ų6414%0.14235%0.353CS..PPolyproline II helixtrans-63.5171.6170.1-53.40000111.4E264 F265 C272C260-E264 HydrophobicContact CB-CB 3.59Å; C260-F265 PolarHBondContact SG-O 3.32Å; C260-F265 VanDerWaalsContact SG-O 3.4Å; C260-C272 WeakPolarHBondContact CA-SG 3.3Å; C260-C272 HydrophobicContact CB-CB 3.68Å; C260-C272 WeakPolarHBondContact CB-SG 3.46Å; C260-C272 VanDerWaalsContact SG-CA 3.52Å; C260-C272 WeakPolarHBondContact SG-CB 3.31Å; C260-C272 CovalentContact SG-SG 2.03Å; C260-C272 PolarHBondContact SG-SG 3.21Å
261A59.3Low63.8Low18 Ų1867.5 Ų67.515%0.14937%0.371CS..PPolyproline II helixtrans-58.9162.5168.500000110.5D263 E264A261-D263 VanDerWaalsContact CB-OD1 3.32Å; A261-D263 WeakPolarHBondContact CB-OD1 3.33Å; A261-D263 PolarHBondContact O-N 2.79Å; A261-D263 VanDerWaalsContact O-N 3.08Å; A261-E264 HydrophobicContact CB-CB 4.33Å; A261-E264 VanDerWaalsContact CB-CD 3.42Å; A261-E264 HydrophobicContact CB-CG 3.95Å; A261-E264 WeakPolarHBondContact CB-OE2 3.07Å; A261-E264 PolarHBondContact N-OE2 3.29Å; A261-E264 PolarHBondContact O-N 2.9Å; A261-E264 VanDerWaalsContact O-N 3.1Å
262H52.6Low63.2Low188 Ų18864.9 Ų64.987%0.8736%0.36SS*.THydrogen-bonded Turntrans-64.8-18.7-177.3108.2-55.6000112.8
263D61.6Low62.3Low74 Ų7464.6 Ų64.640%0.39636%0.355SS..THydrogen-bonded Turntrans-99.111.4-177.743.4-67.9000112.8K185 A261 P275K185-D263 IonicContact NZ-OD2 3.51Å; K185-D263 PolarHBondContact NZ-OD2 2.84Å; A261-D263 VanDerWaalsContact CB-OD1 3.32Å; A261-D263 WeakPolarHBondContact CB-OD1 3.33Å; A261-D263 PolarHBondContact O-N 2.79Å; A261-D263 VanDerWaalsContact O-N 3.08Å; D263-P275 WeakPolarHBondContact O-CD 3.34Å; D263-P275 WeakPolarHBondContact O-CG 3.46Å
264E65Low61.3Low26 Ų2667.2 Ų67.212%0.12137%0.368CS..SBendtrans-130.5146.4-174.2-73.9166.8-172.500112.4K185 T223 C260 A261 C272 L273K185-E264 WeakPolarHBondContact CE-OE1 3.43Å; K185-E264 IonicContact NZ-OE1 3.11Å; K185-E264 PolarHBondContact NZ-OE1 3.12Å; T223-E264 WeakPolarHBondContact CB-OE1 3.47Å; T223-E264 WeakPolarHBondContact CB-OE2 3.5Å; T223-E264 PolarHBondContact OG1-OE1 2.83Å; T223-E264 PolarHBondContact OG1-OE2 2.97Å; C260-E264 HydrophobicContact CB-CB 3.59Å; A261-E264 HydrophobicContact CB-CB 4.33Å; A261-E264 VanDerWaalsContact CB-CD 3.42Å; A261-E264 HydrophobicContact CB-CG 3.95Å; A261-E264 WeakPolarHBondContact CB-OE2 3.07Å; A261-E264 PolarHBondContact N-OE2 3.29Å; A261-E264 PolarHBondContact O-N 2.9Å; A261-E264 VanDerWaalsContact O-N 3.1Å; E264-C272 HydrophobicContact CB-CB 4.5Å; E264-L273 CarbonylContact C-O 3.24Å; E264-L273 WeakPolarHBondContact CA-O 3.37Å; E264-L273 WeakPolarHBondContact CB-O 3.45Å
265F69.5Low60.8Low66 Ų6668.3 Ų68.329%0.28937%0.37SS..EExtended strand (participates in β ladder)trans-87.5147.9176-174.2-87.2000111.4C260 C272 L273 V278 D290C260-F265 PolarHBondContact SG-O 3.32Å; C260-F265 VanDerWaalsContact SG-O 3.4Å; F265-C272 WeakPolarHBondContact O-CA 3.31Å; F265-L273 HydrophobicContact CB-CB 4.37Å; F265-L273 HydrophobicContact CD1-CD1 4.44Å; F265-L273 PolarHBondContact N-O 3.04Å; F265-L273 PolarHBondContact O-N 3.26Å; F265-V278 HydrophobicContact CB-CG2 3.41Å; F265-V278 VanDerWaalsContact CB-CG2 3.41Å; F265-V278 HydrophobicContact CD1-CG2 4.21Å; F265-V278 HydrophobicContact CD2-CG1 3.75Å; F265-V278 HydrophobicContact CD2-CG2 4.09Å; F265-V278 HydrophobicContact CE2-CG1 4.02Å; F265-V278 HydrophobicContact CG-CG1 4.12Å; F265-V278 HydrophobicContact CG-CG2 3.66Å; F265-D290 HydrophobicContact CD1-CB 4.22Å; F265-D290 HydrophobicContact CE1-CB 3.88Å; F265-D290 HydrophobicContact CZ-CB 4.43Å
266R72Confident60.5Low105 Ų10567 Ų6740%0.39636%0.359SS..EExtended strand (participates in β ladder)trans-115.2108.8-168.8-179.4-173.6-179.9168.95.3111.2H257 G258H257-R266 PolarHBondContact CE1-NH2 2.98Å; H257-R266 PolarHBondContact NE2-NH1 3.23Å; H257-R266 PolarHBondContact NE2-NH2 2.8Å; G258-R266 VanDerWaalsContact O-CZ 3.26Å; G258-R266 PolarHBondContact O-NE 3.43Å; G258-R266 PolarHBondContact O-NH2 2.04Å
267C69.6Low60.6Low2 Ų265.7 Ų65.71%0.01434%0.34CS..  trans-77153.1167.6-48.60000111.1Q269 L270 I271 C285C267-Q269 PolarHBondContact O-N 3.24Å; C267-Q269 VanDerWaalsContact O-N 3.15Å; C267-L270 PolarHBondContact O-N 2.86Å; C267-I271 HydrophobicContact CB-CB 4.15Å; C267-I271 PolarHBondContact N-O 3.34Å; C267-I271 VanDerWaalsContact N-O 3.09Å; C267-C285 VanDerWaalsContact CA-SG 3.54Å; C267-C285 HydrophobicContact CB-CB 3.68Å; C267-C285 WeakPolarHBondContact CB-SG 3.27Å; C267-C285 WeakPolarHBondContact SG-CA 3.25Å; C267-C285 WeakPolarHBondContact SG-CB 3.31Å; C267-C285 CovalentContact SG-SG 2.04Å; C267-C285 PolarHBondContact SG-SG 3.4Å
268D61.9Low61.2Low140 Ų14061.3 Ų61.375%0.74932%0.321SS*.THydrogen-bonded Turntrans-65.6-17.4178.8-92.41.2000114.2D287D268-D287 WeakPolarHBondContact CB-OD2 3.35Å
269Q58Low61.4Low144 Ų14462.2 Ų62.267%0.67333%0.326SS*.THydrogen-bonded Turntrans-98.736.3179-60-156.211.600114.6C267 I271C267-Q269 PolarHBondContact O-N 3.24Å; C267-Q269 VanDerWaalsContact O-N 3.15Å; Q269-I271 PolarHBondContact O-N 3.05Å
270L56.3Low60.9Low75 Ų7560.5 Ų60.539%0.39331%0.313SS..SBendtrans64.24.2176.3-55.2169.6000115.7N225 C267N225-L270 WeakPolarHBondContact CB-O 3.42Å; N225-L270 PolarHBondContact ND2-O 3.14Å; C267-L270 PolarHBondContact O-N 2.86Å
271I59.5Low60Low82 Ų8260.8 Ų60.842%0.42132%0.319SS..  trans-77.2138.1171.8-60.7175.2000109.2C267 Q269 L273C267-I271 HydrophobicContact CB-CB 4.15Å; C267-I271 PolarHBondContact N-O 3.34Å; C267-I271 VanDerWaalsContact N-O 3.09Å; Q269-I271 PolarHBondContact O-N 3.05Å; I271-L273 HydrophobicContact CG2-CD2 3.97Å; I271-L273 HydrophobicContact CG2-CG 4.46Å
272C69.6Low59.4Low5 Ų563 Ų633%0.03433%0.325CS..EExtended strand (participates in β ladder)trans-114.5127.5172.8-660000109.6N225 C260 E264 F265N225-C272 PolarHBondContact ND2-SG 3.34Å; C260-C272 WeakPolarHBondContact CA-SG 3.3Å; C260-C272 HydrophobicContact CB-CB 3.68Å; C260-C272 WeakPolarHBondContact CB-SG 3.46Å; C260-C272 VanDerWaalsContact SG-CA 3.52Å; C260-C272 WeakPolarHBondContact SG-CB 3.31Å; C260-C272 CovalentContact SG-SG 2.03Å; C260-C272 PolarHBondContact SG-SG 3.21Å; E264-C272 HydrophobicContact CB-CB 4.5Å; F265-C272 WeakPolarHBondContact O-CA 3.31Å
273L64.6Low59.6Low18 Ų1857.1 Ų57.19%0.09431%0.309CS..EExtended strand (participates in β ladder)trans-105.3149.9-179-60.3177.3000110.3E264 F265 I271 N284 C285 D290E264-L273 CarbonylContact C-O 3.24Å; E264-L273 WeakPolarHBondContact CA-O 3.37Å; E264-L273 WeakPolarHBondContact CB-O 3.45Å; F265-L273 HydrophobicContact CB-CB 4.37Å; F265-L273 HydrophobicContact CD1-CD1 4.44Å; F265-L273 PolarHBondContact N-O 3.04Å; F265-L273 PolarHBondContact O-N 3.26Å; I271-L273 HydrophobicContact CG2-CD2 3.97Å; I271-L273 HydrophobicContact CG2-CG 4.46Å; L273-N284 HydrophobicContact CD1-CB 3.6Å; L273-N284 HydrophobicContact CD2-CB 3.88Å; L273-N284 HydrophobicContact CG-CB 4.41Å; L273-C285 WeakPolarHBondContact CD1-SG 3.46Å; L273-D290 HydrophobicContact CD1-CB 4.06Å
274L56Low59.7Low70 Ų7056.4 Ų56.437%0.36631%0.305SS..  trans-68.9154.6166.6-73.481.7000108.9P222 D276 S277P222-L274 HydrophobicContact CB-CD1 3.86Å; P222-L274 HydrophobicContact CG-CD1 3.72Å; L274-D276 PolarHBondContact O-N 2.98Å; L274-S277 PolarHBondContact O-N 3.5Å
275P58.1Low59.8Low76 Ų7655.3 Ų55.349%0.49430%0.3SS..G310 helixtrans-57.7-20.4177.3-25.636.5000114.2D263 S277D263-P275 WeakPolarHBondContact O-CD 3.34Å; D263-P275 WeakPolarHBondContact O-CG 3.46Å; P275-S277 VanDerWaalsContact C-N 3.27Å
276D54.9Low59.7Low57 Ų5755.7 Ų55.731%0.30532%0.316SS..G310 helixtrans-75.7-15.3-179.9-47.9-30000113.1L274 R397L274-D276 PolarHBondContact O-N 2.98Å; D276-R397 IonicContact OD1-CZ 2.67Å; D276-R397 VanDerWaalsContact OD1-CZ 3.25Å; D276-R397 IonicContact OD1-NE 2.76Å; D276-R397 IonicContact OD1-NH1 3.93Å; D276-R397 IonicContact OD1-NH2 3.53Å; D276-R397 PolarHBondContact OD1-NH2 2.94Å; D276-R397 IonicContact OD2-CZ 3.25Å; D276-R397 IonicContact OD2-NH1 3.59Å; D276-R397 PolarHBondContact OD2-NH1 3.38Å; D276-R397 IonicContact OD2-NH2 3.56Å; D276-R397 PolarHBondContact OD2-NH2 2.96Å
277S54.3Low59.6Low34 Ų3454 Ų5424%0.23832%0.315CS..G310 helixtrans-109.637.3-180-57.50000111.1L274 P275 D280 N284L274-S277 PolarHBondContact O-N 3.5Å; P275-S277 VanDerWaalsContact C-N 3.27Å; S277-D280 WeakPolarHBondContact CA-OD2 3.13Å; S277-N284 PolarHBondContact O-ND2 3.18Å
278V63Low59.5Low24 Ų2456.6 Ų56.615%0.14533%0.332CS..SBendtrans-143.3121.1-175.5-173.30000107.8F265 D280 D290F265-V278 HydrophobicContact CB-CG2 3.41Å; F265-V278 VanDerWaalsContact CB-CG2 3.41Å; F265-V278 HydrophobicContact CD1-CG2 4.21Å; F265-V278 HydrophobicContact CD2-CG1 3.75Å; F265-V278 HydrophobicContact CD2-CG2 4.09Å; F265-V278 HydrophobicContact CE2-CG1 4.02Å; F265-V278 HydrophobicContact CG-CG1 4.12Å; F265-V278 HydrophobicContact CG-CG2 3.66Å; V278-D280 PolarHBondContact O-N 3.04Å; V278-D290 HydrophobicContact CG1-CB 4.44Å; V278-D290 WeakPolarHBondContact CG1-O 3.45Å
279C56.2Low60.2Low24 Ų2451.1 Ų51.116%0.16231%0.305CS..SBendtrans58.533.9-165.5-550000112.4D290 E291 C294 F298C279-D290 PolarHBondContact N-O 2.84Å; C279-E291 WeakPolarHBondContact CA-OE1 3.46Å; C279-E291 PolarHBondContact N-OE1 3.06Å; C279-C294 HydrophobicContact CB-CB 3.8Å; C279-C294 WeakPolarHBondContact CB-SG 3.2Å; C279-C294 WeakPolarHBondContact SG-CA 3.49Å; C279-C294 WeakPolarHBondContact SG-CB 3.37Å; C279-C294 CovalentContact SG-SG 2.03Å; C279-C294 PolarHBondContact SG-SG 3.23Å; C279-F298 HydrophobicContact CB-CE2 4.32Å; C279-F298 HydrophobicContact CB-CZ 4.43Å
280D51.1Low60.9Low22 Ų2244.3 Ų44.312%0.11827%0.273CS..SBendtrans-93-8.9177.975.3-9.1000112.8S277 V278 F282 N284 E291S277-D280 WeakPolarHBondContact CA-OD2 3.13Å; V278-D280 PolarHBondContact O-N 3.04Å; D280-F282 WeakPolarHBondContact OD1-CA 3.17Å; D280-F282 WeakPolarHBondContact OD1-CB 3.43Å; D280-F282 PolarHBondContact OD1-N 2.75Å; D280-N284 PolarHBondContact OD1-ND2 3.04Å; D280-N284 PolarHBondContact OD2-ND2 2.95Å; D280-E291 PolarHBondContact N-OE1 2.74Å
281G47.6Very low61.6Low26 Ų2643.4 Ų43.427%0.26827%0.267SS..SBendtrans96.6-2.6-175.900000114.5E291G281-E291 WeakPolarHBondContact CA-OE2 3.22Å; G281-E291 PolarHBondContact N-OE2 3.27Å
282F46.2Very low62Low66 Ų6644 Ų4429%0.28928%0.275SS..SBendtrans-113.9136.3-178.1-62-109.3000110.7D280 N284 E291 Y362 F370D280-F282 WeakPolarHBondContact OD1-CA 3.17Å; D280-F282 WeakPolarHBondContact OD1-CB 3.43Å; D280-F282 PolarHBondContact OD1-N 2.75Å; F282-N284 VanDerWaalsContact C-N 3.26Å; F282-N284 PolarHBondContact O-N 2.81Å; F282-N284 PolarHBondContact O-ND2 3.26Å; F282-E291 WeakPolarHBondContact O-CG 3.25Å; F282-Y362 HydrophobicContact CZ-CD1 4.26Å; F282-Y362 HydrophobicContact CZ-CE1 4.18Å; F282-F370 AromaticContact CD1-CD2 3.96Å; F282-F370 HydrophobicContact CD1-CD2 3.96Å; F282-F370 HydrophobicContact CD2-CD2 4.42Å; F282-F370 HydrophobicContact CE1-CB 3.77Å; F282-F370 AromaticContact CE1-CD2 3.56Å; F282-F370 HydrophobicContact CE1-CD2 3.56Å; F282-F370 HydrophobicContact CE1-CG 4.1Å; F282-F370 HydrophobicContact CE2-CD2 4.03Å; F282-F370 HydrophobicContact CG-CD2 4.38Å; F282-F370 HydrophobicContact CZ-CB 3.63Å; F282-F370 AromaticContact CZ-CD2 3.59Å; F282-F370 HydrophobicContact CZ-CD2 3.59Å; F282-F370 AromaticContact CZ-CG 3.89Å; F282-F370 HydrophobicContact CZ-CG 3.89Å
283A57.1Low61.9Low63 Ų6350.5 Ų50.552%0.52131%0.309SS..  trans-7877.8169.800000110.2S288A283-S288 VanDerWaalsContact CB-OG 3.27Å; A283-S288 WeakPolarHBondContact CB-OG 3.3Å
284N62.7Low61.9Low60 Ų6051.6 Ų51.632%0.32132%0.318SS..  trans-73.8-29.3175.3-59.1-69.8000111L273 S277 D280 F282 D290L273-N284 HydrophobicContact CD1-CB 3.6Å; L273-N284 HydrophobicContact CD2-CB 3.88Å; L273-N284 HydrophobicContact CG-CB 4.41Å; S277-N284 PolarHBondContact O-ND2 3.18Å; D280-N284 PolarHBondContact OD1-ND2 3.04Å; D280-N284 PolarHBondContact OD2-ND2 2.95Å; F282-N284 VanDerWaalsContact C-N 3.26Å; F282-N284 PolarHBondContact O-N 2.81Å; F282-N284 PolarHBondContact O-ND2 3.26Å; N284-D290 VanDerWaalsContact CA-OD2 3.27Å; N284-D290 WeakPolarHBondContact CA-OD2 3.34Å; N284-D290 VanDerWaalsContact CB-OD2 3.25Å; N284-D290 WeakPolarHBondContact CB-OD2 3.31Å; N284-D290 PolarHBondContact N-OD2 2.75Å
285C67.3Low62Low2 Ų254 Ų541%0.01434%0.34CS..SBendtrans-82.7139.1164.5-66.50000111.8C267 L273 D287 S288 D290C267-C285 VanDerWaalsContact CA-SG 3.54Å; C267-C285 HydrophobicContact CB-CB 3.68Å; C267-C285 WeakPolarHBondContact CB-SG 3.27Å; C267-C285 WeakPolarHBondContact SG-CA 3.25Å; C267-C285 WeakPolarHBondContact SG-CB 3.31Å; C267-C285 CovalentContact SG-SG 2.04Å; C267-C285 PolarHBondContact SG-SG 3.4Å; L273-C285 WeakPolarHBondContact CD1-SG 3.46Å; C285-D287 WeakPolarHBondContact CB-OD1 3.38Å; C285-D287 PolarHBondContact O-N 3.08Å; C285-S288 PolarHBondContact O-N 2.77Å; C285-D290 HydrophobicContact CB-CB 4.37Å; C285-D290 WeakPolarHBondContact CB-OD1 3.49Å; C285-D290 PolarHBondContact N-OD2 2.77Å
286A67Low61.8Low75 Ų7554.5 Ų54.562%0.6235%0.351SS*.THydrogen-bonded Turntrans-66.3-7.4-178.900000115.3
287D71.3Confident61.3Low70 Ų7061.1 Ų61.137%0.37438%0.377SS..THydrogen-bonded Turntrans-113.22.917560.1-0.4000112.9D268 C285 S289D268-D287 WeakPolarHBondContact CB-OD2 3.35Å; C285-D287 WeakPolarHBondContact CB-OD1 3.38Å; C285-D287 PolarHBondContact O-N 3.08Å; D287-S289 VanDerWaalsContact CG-OG 3.29Å; D287-S289 PolarHBondContact O-N 2.93Å; D287-S289 VanDerWaalsContact OD1-CB 3.22Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.8Å; D287-S289 PolarHBondContact OD1-OG 2.89Å; D287-S289 PolarHBondContact OD2-OG 3.45Å
288S67.8Low61Low55 Ų5564.6 Ų64.639%0.38539%0.388SS..  trans56.523.4-172.2-51.30000114.7A283 C285 D290 E291 T292A283-S288 VanDerWaalsContact CB-OG 3.27Å; A283-S288 WeakPolarHBondContact CB-OG 3.3Å; C285-S288 PolarHBondContact O-N 2.77Å; S288-D290 VanDerWaalsContact C-N 3.28Å; S288-D290 VanDerWaalsContact CA-OD1 3.25Å; S288-D290 WeakPolarHBondContact CA-OD1 3.4Å; S288-D290 PolarHBondContact O-N 2.87Å; S288-E291 PolarHBondContact O-N 2.94Å; S288-T292 WeakPolarHBondContact O-CG2 3.43Å
289S75.8Confident60.1Low25 Ų2567.2 Ų67.218%0.17541%0.408CS..G310 helixtrans-64-30.9-177.652.50000113.9D287 E291 T292D287-S289 VanDerWaalsContact CG-OG 3.29Å; D287-S289 PolarHBondContact O-N 2.93Å; D287-S289 VanDerWaalsContact OD1-CB 3.22Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.8Å; D287-S289 PolarHBondContact OD1-OG 2.89Å; D287-S289 PolarHBondContact OD2-OG 3.45Å; S289-E291 VanDerWaalsContact C-N 3.31Å; S289-E291 PolarHBondContact O-N 2.78Å; S289-T292 PolarHBondContact O-N 2.86Å; S289-T292 PolarHBondContact O-OG1 2.88Å
290D72Confident60.2Low1 Ų169.2 Ų69.21%0.00543%0.433CS..G310 helixtrans-56.4-37.3171.447-15.3000113.7F265 L273 V278 C279 N284 C285 S288 T292F265-D290 HydrophobicContact CD1-CB 4.22Å; F265-D290 HydrophobicContact CE1-CB 3.88Å; F265-D290 HydrophobicContact CZ-CB 4.43Å; L273-D290 HydrophobicContact CD1-CB 4.06Å; V278-D290 HydrophobicContact CG1-CB 4.44Å; V278-D290 WeakPolarHBondContact CG1-O 3.45Å; C279-D290 PolarHBondContact N-O 2.84Å; N284-D290 VanDerWaalsContact CA-OD2 3.27Å; N284-D290 WeakPolarHBondContact CA-OD2 3.34Å; N284-D290 VanDerWaalsContact CB-OD2 3.25Å; N284-D290 WeakPolarHBondContact CB-OD2 3.31Å; N284-D290 PolarHBondContact N-OD2 2.75Å; C285-D290 HydrophobicContact CB-CB 4.37Å; C285-D290 WeakPolarHBondContact CB-OD1 3.49Å; C285-D290 PolarHBondContact N-OD2 2.77Å; S288-D290 VanDerWaalsContact C-N 3.28Å; S288-D290 VanDerWaalsContact CA-OD1 3.25Å; S288-D290 WeakPolarHBondContact CA-OD1 3.4Å; S288-D290 PolarHBondContact O-N 2.87Å; D290-T292 VanDerWaalsContact C-N 3.32Å; D290-T292 PolarHBondContact O-N 3.27Å
291E72.8Confident61.2Low57 Ų5769.5 Ų69.527%0.26644%0.436SS..G310 helixtrans-89.58.3178.7-64.5-57108.300113.6C279 D280 G281 F282 S288 S289C279-E291 WeakPolarHBondContact CA-OE1 3.46Å; C279-E291 PolarHBondContact N-OE1 3.06Å; D280-E291 PolarHBondContact N-OE1 2.74Å; G281-E291 WeakPolarHBondContact CA-OE2 3.22Å; G281-E291 PolarHBondContact N-OE2 3.27Å; F282-E291 WeakPolarHBondContact O-CG 3.25Å; S288-E291 PolarHBondContact O-N 2.94Å; S289-E291 VanDerWaalsContact C-N 3.31Å; S289-E291 PolarHBondContact O-N 2.78Å
292T67.5Low62.5Low94 Ų9469.5 Ų69.558%0.57744%0.436SS*.SBendtrans-98.8139178.9680000113.2S288 S289 D290 C294S288-T292 WeakPolarHBondContact O-CG2 3.43Å; S289-T292 PolarHBondContact O-N 2.86Å; S289-T292 PolarHBondContact O-OG1 2.88Å; D290-T292 VanDerWaalsContact C-N 3.32Å; D290-T292 PolarHBondContact O-N 3.27Å; T292-C294 PolarHBondContact O-N 2.92Å
293N66Low63.9Low141 Ų14168 Ų6875%0.75444%0.439SS*.  trans64.832.6171.5-167.743.5000116.1S295N293-S295 PolarHBondContact O-N 3.25Å
294C66Low65Low42 Ų4271 Ų7128%0.28445%0.447SS..  trans-60.2-3.1173.9-55.10000115.8C279 T292 A296C279-C294 HydrophobicContact CB-CB 3.8Å; C279-C294 WeakPolarHBondContact CB-SG 3.2Å; C279-C294 WeakPolarHBondContact SG-CA 3.49Å; C279-C294 WeakPolarHBondContact SG-CB 3.37Å; C279-C294 CovalentContact SG-SG 2.03Å; C279-C294 PolarHBondContact SG-SG 3.23Å; T292-C294 PolarHBondContact O-N 2.92Å; C294-A296 VanDerWaalsContact C-N 3.29Å; C294-A296 PolarHBondContact O-N 2.72Å
295S58.5Low65.9Low119 Ų11970 Ų7083%0.83244%0.441SS*.THydrogen-bonded Turntrans-80.415.8-160.8-46.20000116.5N293N293-S295 PolarHBondContact O-N 3.25Å
296A53Low66.7Low88 Ų8875.1 Ų75.173%0.72747%0.472SS*.THydrogen-bonded Turntrans-135.73.6-16300000117.6C294C294-A296 VanDerWaalsContact C-N 3.29Å; C294-A296 PolarHBondContact O-N 2.72Å
297K44.5Very low67Low195 Ų19572.9 Ų72.985%0.84846%0.456SS*.SBendtrans-146.38.9-175.8-138.1-175.2175.7-168.90118.7
298F47.8Very low67.3Low107 Ų10774.1 Ų74.147%0.46946%0.462SS..  trans-96.2122.6179.2-67.7-68.2000113.4C279 G300 L326C279-F298 HydrophobicContact CB-CE2 4.32Å; C279-F298 HydrophobicContact CB-CZ 4.43Å; F298-G300 VanDerWaalsContact C-N 3.27Å; F298-G300 PolarHBondContact O-N 2.8Å; F298-L326 HydrophobicContact CE1-CB 3.95Å
299S45.1Very low68.3Low80 Ų8078.4 Ų78.456%0.55948%0.476SS*.  trans-82.356179.839.30000113.9Q325S299-Q325 PolarHBondContact OG-NE2 3.44Å; S299-Q325 PolarHBondContact OG-OE1 2.81Å
300G57.7Low68.8Low66 Ų6678.1 Ų78.168%0.6848%0.478SS*.SBendtrans82.650157.400000117F298F298-G300 VanDerWaalsContact C-N 3.27Å; F298-G300 PolarHBondContact O-N 2.8Å
301C71.3Confident69.6Low28 Ų2882.8 Ų82.819%0.18951%0.506CS..  trans-148169.3167.660.50000111.2P315 C327 W329C301-P315 HydrophobicContact CB-CB 4.2Å; C301-P315 HydrophobicContact CB-CG 3.98Å; C301-C327 HydrophobicContact CB-CB 3.59Å; C301-C327 WeakPolarHBondContact CB-SG 3.4Å; C301-C327 VanDerWaalsContact SG-CA 3.57Å; C301-C327 WeakPolarHBondContact SG-CB 3.5Å; C301-C327 CovalentContact SG-SG 2.02Å; C301-C327 PolarHBondContact SG-SG 2.99Å; C301-W329 HydrophobicContact CB-CZ2 4.19Å
302G74.8Confident70.3Confident25 Ų2580.7 Ų80.726%0.25850%0.496SS..  trans81.9-172.9-171.400000114.3T328 W329G302-T328 CarbonylContact C-O 3.5Å; G302-T328 WeakPolarHBondContact CA-O 3.47Å; G302-W329 VanDerWaalsContact C-CD1 3.45Å
303G75.4Confident71.3Confident35 Ų3578.1 Ų78.136%0.36148%0.482SS..EExtended strand (participates in β ladder)trans126.1167175.100000115T328 W329 H330G303-T328 PolarHBondContact N-O 2.63Å; G303-W329 WeakPolarHBondContact O-CA 3.38Å; G303-H330 PolarHBondContact O-N 3Å; G303-H330 VanDerWaalsContact O-N 3.08Å
304N80.5Confident72.1Confident127 Ų12771.5 Ų71.568%0.67945%0.447SS*.EExtended strand (participates in β ladder)trans-87.7131.4-175.9-63.214.2000111.2H330N304-H330 CarbonylContact C-O 3.56Å; N304-H330 WeakPolarHBondContact CA-O 3.48Å
305L81.3Confident72.5Confident38 Ų3870 Ų7020%0.19944%0.437CS..EExtended strand (participates in β ladder)trans-122.797.2-171.4-65.3175.6000109.5F312 W329 H330 I331 S332 Y411L305-F312 HydrophobicContact CD1-CB 4.15Å; L305-F312 HydrophobicContact CD1-CD1 3.77Å; L305-F312 HydrophobicContact CD1-CE1 4.46Å; L305-F312 HydrophobicContact CD1-CG 4.1Å; L305-W329 HydrophobicContact CD1-CB 4.09Å; L305-W329 HydrophobicContact CD1-CG 4.32Å; L305-H330 PolarHBondContact N-O 2.96Å; L305-I331 HydrophobicContact CB-CG1 3.98Å; L305-I331 HydrophobicContact CD1-CG1 3.94Å; L305-I331 WeakPolarHBondContact O-CA 3.43Å; L305-S332 PolarHBondContact O-N 3.46Å; L305-S332 VanDerWaalsContact O-N 3.08Å; L305-Y411 HydrophobicContact CB-CE1 3.97Å; L305-Y411 HydrophobicContact CD1-CE1 4.03Å; L305-Y411 HydrophobicContact CG-CE1 4.48Å
306T83.8Confident73Confident110 Ų11069 Ų6968%0.67542%0.422SS*.  trans-109.430.7-171.669.10000113.9S332T306-S332 VanDerWaalsContact CA-O 3.31Å; T306-S332 WeakPolarHBondContact CA-O 3.48Å
307G73.9Confident73.2Confident27 Ų2768.7 Ų68.728%0.27840%0.402SS..SBendtrans-88.3165.9176.600000111.9V333 Y411G307-V333 WeakPolarHBondContact O-CG1 3.41Å; G307-Y411 PolarHBondContact N-OH 3.24Å; G307-Y411 WeakPolarHBondContact O-CE2 3.22Å
308L78.5Confident73.9Confident96 Ų9666 Ų6650%0.50340%0.396SS..SBendtrans-77.6-7.7162-70.1173.5000112.3P334 A413L308-P334 HydrophobicContact CD2-CG 3.97Å; L308-A413 HydrophobicContact CB-CB 4.25Å; L308-A413 HydrophobicContact CD2-CB 3.77Å; L308-A413 VanDerWaalsContact O-CB 3.3Å; L308-A413 WeakPolarHBondContact O-CB 3.04Å; L308-A413 PolarHBondContact O-N 3.43Å
309Q88.9Confident74.8Confident145 Ų14567.7 Ų67.768%0.67841%0.406SS*.EExtended strand (participates in β ladder)trans-159.8157.3171.354.6173.6101.600109Y411 L412Q309-Y411 VanDerWaalsContact CA-O 3.24Å; Q309-Y411 WeakPolarHBondContact CA-O 3.17Å; Q309-L412 HydrophobicContact CB-CD2 3.69Å
310G84.6Confident76.3Confident20 Ų2070 Ų7021%0.20641%0.408CS..EExtended strand (participates in β ladder)trans-175.2178172.100000113.9T410 Y411G310-T410 WeakPolarHBondContact O-CA 3.45Å; G310-Y411 VanDerWaalsContact CA-CE1 3.41Å; G310-Y411 PolarHBondContact N-O 3.26Å; G310-Y411 PolarHBondContact O-N 2.76Å
311T88.8Confident77.3Confident99 Ų9967 Ų6761%0.60738%0.376SS*.EExtended strand (participates in β ladder)trans-135137.9179.5-46.90000109A409 T410T311-A409 CarbonylContact C-O 3.59Å; T311-A409 VanDerWaalsContact CA-O 3.3Å; T311-A409 WeakPolarHBondContact CA-O 3.19Å; T311-A409 WeakPolarHBondContact CG2-O 3.34Å; T311-T410 HydrophobicContact CG2-CG2 4.02Å
312F88Confident77.5Confident13 Ų1367.5 Ų67.56%0.05738%0.379CS..EExtended strand (participates in β ladder)trans-136.9169.8170.963.8-81.2000110L305 W329 I331 L341 V394 F407 S408 A409 Y411L305-F312 HydrophobicContact CD1-CB 4.15Å; L305-F312 HydrophobicContact CD1-CD1 3.77Å; L305-F312 HydrophobicContact CD1-CE1 4.46Å; L305-F312 HydrophobicContact CD1-CG 4.1Å; F312-W329 HydrophobicContact CB-CG 4.49Å; F312-W329 HydrophobicContact CD2-CB 4.42Å; F312-W329 AromaticContact CD2-CD2 3.4Å; F312-W329 HydrophobicContact CD2-CD2 3.4Å; F312-W329 AromaticContact CD2-CE2 3.59Å; F312-W329 AromaticContact CD2-CE3 3.74Å; F312-W329 HydrophobicContact CD2-CE3 3.74Å; F312-W329 AromaticContact CD2-CG 3.72Å; F312-W329 HydrophobicContact CD2-CG 3.72Å; F312-W329 HydrophobicContact CD2-CH2 4.35Å; F312-W329 HydrophobicContact CD2-CZ2 4.09Å; F312-W329 HydrophobicContact CD2-CZ3 4.19Å; F312-W329 AromaticContact CD2-NE1 3.95Å; F312-W329 HydrophobicContact CE2-CB 4.43Å; F312-W329 AromaticContact CE2-CD2 3.77Å; F312-W329 HydrophobicContact CE2-CD2 3.77Å; F312-W329 AromaticContact CE2-CE3 3.68Å; F312-W329 HydrophobicContact CE2-CE3 3.68Å; F312-W329 HydrophobicContact CE2-CG 4.12Å; F312-W329 HydrophobicContact CE2-CZ3 4.2Å; F312-W329 HydrophobicContact CG-CD2 4.24Å; F312-W329 HydrophobicContact CG-CG 4.15Å; F312-I331 HydrophobicContact CE1-CD1 4.01Å; F312-L341 HydrophobicContact CE1-CD1 3.76Å; F312-L341 HydrophobicContact CZ-CD1 3.89Å; F312-V394 HydrophobicContact CE2-CB 4.21Å; F312-V394 HydrophobicContact CE2-CG1 3.98Å; F312-V394 HydrophobicContact CE2-CG2 4.5Å; F312-V394 HydrophobicContact CZ-CB 4.13Å; F312-V394 HydrophobicContact CZ-CG1 4.15Å; F312-V394 HydrophobicContact CZ-CG2 3.93Å; F312-F407 HydrophobicContact CD2-CE2 4.25Å; F312-F407 AromaticContact CE2-CE2 3.88Å; F312-F407 HydrophobicContact CE2-CE2 3.88Å; F312-F407 HydrophobicContact CE2-CZ 4.48Å; F312-S408 CarbonylContact O-C 3.59Å; F312-S408 WeakPolarHBondContact O-CA 3.48Å; F312-A409 HydrophobicContact CD1-CB 4.31Å; F312-A409 HydrophobicContact CD2-CB 4.48Å; F312-A409 HydrophobicContact CE1-CB 3.75Å; F312-A409 HydrophobicContact CE2-CB 3.97Å; F312-A409 HydrophobicContact CZ-CB 3.57Å; F312-A409 PolarHBondContact N-O 3.08Å; F312-A409 PolarHBondContact O-N 2.8Å; F312-Y411 HydrophobicContact CD1-CD1 4.48Å
313S88.1Confident77.5Confident40 Ų4069.9 Ų69.928%0.2838%0.383SS..EExtended strand (participates in β ladder)trans-157.9162.4-176.761.60000111.4W329 F407S313-W329 WeakPolarHBondContact O-CZ2 3.31Å; S313-F407 CarbonylContact C-O 3.58Å; S313-F407 VanDerWaalsContact CA-O 3.23Å; S313-F407 WeakPolarHBondContact CA-O 3.34Å; S313-F407 VanDerWaalsContact CB-O 3.26Å; S313-F407 WeakPolarHBondContact CB-O 3.1Å
314T83.9Confident77.3Confident2 Ų274.1 Ų74.11%0.01239%0.393CS..  trans-54.9151.4167.553.30000111.7Y317 F396 G406 F407T314-Y317 PolarHBondContact O-N 3.5Å; T314-F396 HydrophobicContact CG2-CD1 3.79Å; T314-F396 HydrophobicContact CG2-CE1 3.49Å; T314-F396 VanDerWaalsContact CG2-CE1 3.49Å; T314-F396 HydrophobicContact CG2-CE2 4.31Å; T314-F396 HydrophobicContact CG2-CG 4.29Å; T314-F396 HydrophobicContact CG2-CZ 3.77Å; T314-G406 WeakPolarHBondContact OG1-CA 3.32Å; T314-F407 HydrophobicContact CG2-CD1 3.43Å; T314-F407 VanDerWaalsContact CG2-CD1 3.43Å; T314-F407 HydrophobicContact CG2-CD2 4.44Å; T314-F407 HydrophobicContact CG2-CE1 3.54Å; T314-F407 HydrophobicContact CG2-CG 3.91Å; T314-F407 HydrophobicContact CG2-CZ 4.1Å; T314-F407 PolarHBondContact N-O 2.91Å; T314-F407 PolarHBondContact OG1-N 3.37Å; T314-F407 PolarHBondContact OG1-O 2.87Å
315P73.9Confident77Confident11 Ų1169 Ų697%0.07137%0.366CS..THydrogen-bonded Turntrans-57.2143.5170.824-32000110.3C301 Y317 P322 Q325C301-P315 HydrophobicContact CB-CB 4.2Å; C301-P315 HydrophobicContact CB-CG 3.98Å; P315-Y317 VanDerWaalsContact C-N 3.33Å; P315-Y317 PolarHBondContact O-N 3.37Å; P315-P322 HydrophobicContact CG-CG 4.45Å; P315-Q325 HydrophobicContact CG-CG 4.37Å
316N68.7Low76.9Confident98 Ų9868.4 Ų68.452%0.52436%0.363SS..THydrogen-bonded Turntrans57.833.5-173.7-54.6-27.5000115.5L318 Q319N316-L318 PolarHBondContact O-N 3.43Å; N316-Q319 HydrophobicContact CB-CB 4.4Å; N316-Q319 CarbonylContact O-C 3.58Å; N316-Q319 WeakPolarHBondContact O-CA 3.49Å; N316-Q319 WeakPolarHBondContact O-CB 3.34Å; N316-Q319 PolarHBondContact O-N 2.9Å
317Y58.5Low76.9Confident81 Ų8163.2 Ų63.232%0.31833%0.331SS..THydrogen-bonded Turntrans-39.5134.4174.1-179.1-117.3000114T314 P315 Q319 N345 S408T314-Y317 PolarHBondContact O-N 3.5Å; P315-Y317 VanDerWaalsContact C-N 3.33Å; P315-Y317 PolarHBondContact O-N 3.37Å; Y317-Q319 VanDerWaalsContact C-N 3.3Å; Y317-N345 PolarHBondContact OH-ND2 2.73Å; Y317-S408 VanDerWaalsContact CE2-CB 3.45Å; Y317-S408 WeakPolarHBondContact CE2-OG 3.43Å; Y317-S408 PolarHBondContact OH-OG 2.86Å
318L58.8Low77.4Confident137 Ų13763.2 Ų63.272%0.71733%0.325SS*.THydrogen-bonded Turntrans73.93-167.1-47.9177.1000116N316N316-L318 PolarHBondContact O-N 3.43Å
319Q66.2Low77.9Confident143 Ų14359.2 Ų59.267%0.66830%0.303SS*.SBendtrans-128.4178167-56.2-17517.900109.4N316 Y317 Y321N316-Q319 HydrophobicContact CB-CB 4.4Å; N316-Q319 CarbonylContact O-C 3.58Å; N316-Q319 WeakPolarHBondContact O-CA 3.49Å; N316-Q319 WeakPolarHBondContact O-CB 3.34Å; N316-Q319 PolarHBondContact O-N 2.9Å; Y317-Q319 VanDerWaalsContact C-N 3.3Å; Q319-Y321 PolarHBondContact O-N 3.07Å
320Q77.3Confident77.7Confident130 Ų13055.3 Ų55.361%0.60729%0.285SS*.PPolyproline II helixtrans-65.8132.7174-74.8172.3-66.700110.6S403 S404Q320-S403 PolarHBondContact NE2-O 3.29Å; Q320-S404 WeakPolarHBondContact CA-O 3.24Å
321Y78.9Confident77.8Confident2 Ų254.5 Ų54.51%0.00828%0.276CS..PPolyproline II helixtrans-66.8153.117348.9-101.3000111Q319 L348 E349 D357 F396 T398 S403 S404 G406Q319-Y321 PolarHBondContact O-N 3.07Å; Y321-L348 HydrophobicContact CD1-CD2 4.25Å; Y321-L348 HydrophobicContact CE1-CD2 3.55Å; Y321-L348 WeakPolarHBondContact OH-CA 3.36Å; Y321-E349 PolarHBondContact OH-N 3.18Å; Y321-E349 VanDerWaalsContact OH-N 3.15Å; Y321-D357 HydrophobicContact CE2-CB 4.4Å; Y321-D357 WeakPolarHBondContact CE2-OD2 3.27Å; Y321-D357 PolarHBondContact OH-OD2 3.05Å; Y321-F396 HydrophobicContact CD1-CZ 4.04Å; Y321-F396 HydrophobicContact CD2-CZ 4.11Å; Y321-F396 HydrophobicContact CE1-CZ 4.32Å; Y321-F396 HydrophobicContact CE2-CZ 4.37Å; Y321-F396 HydrophobicContact CG-CE1 4.41Å; Y321-F396 AromaticContact CG-CZ 3.92Å; Y321-F396 HydrophobicContact CG-CZ 3.92Å; Y321-T398 HydrophobicContact CD2-CG2 3.46Å; Y321-T398 VanDerWaalsContact CD2-CG2 3.46Å; Y321-T398 HydrophobicContact CE2-CG2 3.52Å; Y321-T398 HydrophobicContact CG-CG2 4.31Å; Y321-S403 VanDerWaalsContact CE2-CB 3.43Å; Y321-S403 VanDerWaalsContact O-CB 3.29Å; Y321-S403 WeakPolarHBondContact O-CB 3.06Å; Y321-S403 PolarHBondContact O-OG 3.31Å; Y321-S404 WeakPolarHBondContact CD1-O 3.45Å; Y321-S404 VanDerWaalsContact CE1-N 3.34Å; Y321-S404 WeakPolarHBondContact CE1-O 3.06Å; Y321-S404 PolarHBondContact N-O 3.17Å; Y321-S404 PolarHBondContact OH-N 2.93Å; Y321-G406 VanDerWaalsContact CD1-CA 3.43Å
322P74.1Confident77.7Confident39 Ų3951.6 Ų51.625%0.25326%0.26SS..PPolyproline II helixtrans-67.8153.6172.6-11.527.3000111.6P315 Q325 T398P315-P322 HydrophobicContact CG-CG 4.45Å; P322-Q325 HydrophobicContact CB-CG 3.8Å; P322-Q325 HydrophobicContact CG-CG 4.12Å; P322-Q325 WeakPolarHBondContact O-CG 3.3Å; P322-T398 PolarHBondContact O-OG1 3.38Å
323H75.8Confident77.5Confident74 Ų7451.3 Ų51.334%0.34326%0.259SS..SBendtrans-71.3162.3167.9-51.6-71.1000110.8Q325 D399 G401 I402 S403H323-Q325 VanDerWaalsContact C-N 3.28Å; H323-Q325 PolarHBondContact O-N 3.13Å; H323-Q325 PolarHBondContact O-NE2 2.75Å; H323-D399 CarbonylContact C-O 3.55Å; H323-D399 WeakPolarHBondContact CA-O 3.35Å; H323-D399 VanDerWaalsContact CB-O 3.3Å; H323-D399 WeakPolarHBondContact CB-O 3.28Å; H323-G401 PolarHBondContact CE1-O 3.43Å; H323-I402 PolarHBondContact CE1-O 3.35Å; H323-I402 VanDerWaalsContact CE1-O 3.26Å; H323-I402 PolarHBondContact ND1-O 3.16Å; H323-I402 VanDerWaalsContact ND1-O 3.13Å; H323-S403 PolarHBondContact CE1-OG 3.13Å; H323-S403 VanDerWaalsContact CE1-OG 3.31Å
324Q71.7Confident77.2Confident124 Ų12452.7 Ų52.758%0.57927%0.267SS*.SBendtrans5436.1175.9-50.5-175.5-104.300114.7T398 D399 H400Q324-T398 WeakPolarHBondContact CA-O 3.25Å; Q324-T398 PolarHBondContact N-OG1 3.06Å; Q324-T398 VanDerWaalsContact N-OG1 3.15Å; Q324-D399 PolarHBondContact N-O 3.33Å; Q324-H400 PolarHBondContact NE2-CE1 2.96Å; Q324-H400 PolarHBondContact NE2-NE2 2.9Å; Q324-H400 PolarHBondContact OE1-CE1 3.33Å
325Q72.8Confident76.8Confident20 Ų2056.4 Ų56.49%0.09330%0.298CS..  trans-92.3146.9175.8-57.4-55.7-81.900110.7S299 P315 P322 H323 R397 T398S299-Q325 PolarHBondContact OG-NE2 3.44Å; S299-Q325 PolarHBondContact OG-OE1 2.81Å; P315-Q325 HydrophobicContact CG-CG 4.37Å; P322-Q325 HydrophobicContact CB-CG 3.8Å; P322-Q325 HydrophobicContact CG-CG 4.12Å; P322-Q325 WeakPolarHBondContact O-CG 3.3Å; H323-Q325 VanDerWaalsContact C-N 3.28Å; H323-Q325 PolarHBondContact O-N 3.13Å; H323-Q325 PolarHBondContact O-NE2 2.75Å; Q325-R397 WeakPolarHBondContact O-CA 3.45Å; Q325-T398 PolarHBondContact N-OG1 3.32Å; Q325-T398 PolarHBondContact O-N 2.69Å
326L80.1Confident76.7Confident26 Ų2658.3 Ų58.314%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-129.3123.8162.9-164.271000106.3F298 L395 F396 R397F298-L326 HydrophobicContact CE1-CB 3.95Å; L326-L395 HydrophobicContact CD1-CD1 3.81Å; L326-L395 HydrophobicContact CD1-CG 4.31Å; L326-L395 HydrophobicContact CG-CD1 4.03Å; L326-F396 CarbonylContact C-O 3.54Å; L326-F396 WeakPolarHBondContact CA-O 3.39Å; L326-R397 HydrophobicContact CD1-CB 4Å; L326-R397 HydrophobicContact CD1-CG 4.07Å
327C83.7Confident77Confident1 Ų155.4 Ų55.41%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-132.7110-172.4-53.70000109.4C301 W329 L395 F396C301-C327 HydrophobicContact CB-CB 3.59Å; C301-C327 WeakPolarHBondContact CB-SG 3.4Å; C301-C327 VanDerWaalsContact SG-CA 3.57Å; C301-C327 WeakPolarHBondContact SG-CB 3.5Å; C301-C327 CovalentContact SG-SG 2.02Å; C301-C327 PolarHBondContact SG-SG 2.99Å; C327-W329 HydrophobicContact CB-CE3 4.4Å; C327-W329 HydrophobicContact CB-CH2 3.5Å; C327-W329 VanDerWaalsContact CB-CH2 3.5Å; C327-W329 HydrophobicContact CB-CZ2 4.08Å; C327-W329 HydrophobicContact CB-CZ3 3.68Å; C327-L395 WeakPolarHBondContact O-CA 3.44Å; C327-F396 HydrophobicContact CB-CB 4.16Å; C327-F396 HydrophobicContact CB-CD1 4.26Å; C327-F396 PolarHBondContact N-O 3.28Å; C327-F396 PolarHBondContact O-N 3.3Å
328T84.6Confident78.3Confident26 Ų2651.8 Ų51.816%0.1629%0.289CS..EExtended strand (participates in β ladder)trans-112116.9-177.6-39.70000110.6G302 G303 H330 V394 L395G302-T328 CarbonylContact C-O 3.5Å; G302-T328 WeakPolarHBondContact CA-O 3.47Å; G303-T328 PolarHBondContact N-O 2.63Å; T328-H330 WeakPolarHBondContact CG2-NE2 3.48Å; T328-V394 CarbonylContact C-O 3.58Å; T328-V394 WeakPolarHBondContact CA-O 3.4Å; T328-L395 HydrophobicContact CG2-CD1 4.24Å; T328-L395 WeakPolarHBondContact OG1-CD1 3.46Å
329W87.9Confident79.7Confident12 Ų1245.2 Ų45.25%0.04526%0.255CS..EExtended strand (participates in β ladder)trans-105.2121.2173.7-64.7-85.5000110.3C301 G302 G303 L305 F312 S313 C327 A393 V394 F396 F407C301-W329 HydrophobicContact CB-CZ2 4.19Å; G302-W329 VanDerWaalsContact C-CD1 3.45Å; G303-W329 WeakPolarHBondContact O-CA 3.38Å; L305-W329 HydrophobicContact CD1-CB 4.09Å; L305-W329 HydrophobicContact CD1-CG 4.32Å; F312-W329 HydrophobicContact CB-CG 4.49Å; F312-W329 HydrophobicContact CD2-CB 4.42Å; F312-W329 AromaticContact CD2-CD2 3.4Å; F312-W329 HydrophobicContact CD2-CD2 3.4Å; F312-W329 AromaticContact CD2-CE2 3.59Å; F312-W329 AromaticContact CD2-CE3 3.74Å; F312-W329 HydrophobicContact CD2-CE3 3.74Å; F312-W329 AromaticContact CD2-CG 3.72Å; F312-W329 HydrophobicContact CD2-CG 3.72Å; F312-W329 HydrophobicContact CD2-CH2 4.35Å; F312-W329 HydrophobicContact CD2-CZ2 4.09Å; F312-W329 HydrophobicContact CD2-CZ3 4.19Å; F312-W329 AromaticContact CD2-NE1 3.95Å; F312-W329 HydrophobicContact CE2-CB 4.43Å; F312-W329 AromaticContact CE2-CD2 3.77Å; F312-W329 HydrophobicContact CE2-CD2 3.77Å; F312-W329 AromaticContact CE2-CE3 3.68Å; F312-W329 HydrophobicContact CE2-CE3 3.68Å; F312-W329 HydrophobicContact CE2-CG 4.12Å; F312-W329 HydrophobicContact CE2-CZ3 4.2Å; F312-W329 HydrophobicContact CG-CD2 4.24Å; F312-W329 HydrophobicContact CG-CG 4.15Å; S313-W329 WeakPolarHBondContact O-CZ2 3.31Å; C327-W329 HydrophobicContact CB-CE3 4.4Å; C327-W329 HydrophobicContact CB-CH2 3.5Å; C327-W329 VanDerWaalsContact CB-CH2 3.5Å; C327-W329 HydrophobicContact CB-CZ2 4.08Å; C327-W329 HydrophobicContact CB-CZ3 3.68Å; W329-A393 CarbonylContact O-C 3.56Å; W329-A393 VanDerWaalsContact O-CA 3.3Å; W329-A393 WeakPolarHBondContact O-CA 3.22Å; W329-V394 HydrophobicContact CB-CB 4.48Å; W329-V394 HydrophobicContact CE3-CB 4.33Å; W329-V394 HydrophobicContact CE3-CG1 4.25Å; W329-V394 PolarHBondContact N-O 3.44Å; W329-V394 PolarHBondContact O-N 3.44Å; W329-F396 HydrophobicContact CH2-CB 4.28Å; W329-F396 HydrophobicContact CZ3-CB 3.77Å; W329-F407 HydrophobicContact CH2-CZ 4.25Å; W329-F407 AromaticContact CZ3-CZ 3.94Å; W329-F407 HydrophobicContact CZ3-CZ 3.94Å
330H85.4Confident80.7Confident64 Ų6441.1 Ų41.130%0.29624%0.236SC..EExtended strand (participates in β ladder)trans-102.9104.7177.1-57.1-84.9000109.4G303 N304 L305 T328G303-H330 PolarHBondContact O-N 3Å; G303-H330 VanDerWaalsContact O-N 3.08Å; N304-H330 CarbonylContact C-O 3.56Å; N304-H330 WeakPolarHBondContact CA-O 3.48Å; L305-H330 PolarHBondContact N-O 2.96Å; T328-H330 WeakPolarHBondContact CG2-NE2 3.48Å
331I86.9Confident81.3Confident2 Ų234.9 Ų34.91%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-88.3122.7175.2-56.3166.3000107.8L305 F312 V333 I339 L341 E391 L392 Y411L305-I331 HydrophobicContact CB-CG1 3.98Å; L305-I331 HydrophobicContact CD1-CG1 3.94Å; L305-I331 WeakPolarHBondContact O-CA 3.43Å; F312-I331 HydrophobicContact CE1-CD1 4.01Å; I331-V333 HydrophobicContact CG2-CG1 4.03Å; I331-I339 HydrophobicContact CB-CD1 4.24Å; I331-I339 HydrophobicContact CG2-CD1 3.73Å; I331-I339 HydrophobicContact CG2-CG1 4.35Å; I331-I339 HydrophobicContact CG2-CG2 4.21Å; I331-L341 HydrophobicContact CD1-CD1 4.49Å; I331-E391 VanDerWaalsContact O-CA 3.31Å; I331-E391 WeakPolarHBondContact O-CA 3.41Å; I331-L392 WeakPolarHBondContact CB-O 3.36Å; I331-L392 HydrophobicContact CD1-CD2 3.88Å; I331-L392 PolarHBondContact N-O 3.38Å; I331-L392 PolarHBondContact O-N 3.19Å; I331-Y411 HydrophobicContact CD1-CD1 3.8Å; I331-Y411 HydrophobicContact CD1-CD2 4.5Å; I331-Y411 HydrophobicContact CD1-CE1 4.43Å; I331-Y411 HydrophobicContact CD1-CG 3.85Å; I331-Y411 HydrophobicContact CG1-CD1 4.22Å; I331-Y411 HydrophobicContact CG1-CE1 4.37Å; I331-Y411 HydrophobicContact CG1-CG 4.45Å; I331-Y411 HydrophobicContact CG2-CD1 4.45Å; I331-Y411 HydrophobicContact CG2-CD2 3.64Å; I331-Y411 HydrophobicContact CG2-CE1 4.42Å; I331-Y411 HydrophobicContact CG2-CE2 3.6Å; I331-Y411 HydrophobicContact CG2-CG 4.08Å
332S85.8Confident81.9Confident38 Ų3837.7 Ų37.727%0.26622%0.22SC..EExtended strand (participates in β ladder)trans-137.6111.6-179.7-178.70000109.5L305 T306 H390 E391L305-S332 PolarHBondContact O-N 3.46Å; L305-S332 VanDerWaalsContact O-N 3.08Å; T306-S332 VanDerWaalsContact CA-O 3.31Å; T306-S332 WeakPolarHBondContact CA-O 3.48Å; S332-H390 WeakPolarHBondContact CA-O 3.4Å; S332-E391 PolarHBondContact OG-OE1 3.46Å
333V84.2Confident82.8Confident7 Ų736.2 Ų36.24%0.04221%0.21CC..  trans-110.3165.7-171.5-53.10000110.7G307 I331 A335 H337 I339 H390 Y411 A413G307-V333 WeakPolarHBondContact O-CG1 3.41Å; I331-V333 HydrophobicContact CG2-CG1 4.03Å; V333-A335 PolarHBondContact O-N 3.48Å; V333-H337 HydrophobicContact CG2-CB 3.81Å; V333-I339 HydrophobicContact CB-CG1 4.45Å; V333-I339 HydrophobicContact CG1-CD1 4.07Å; V333-I339 HydrophobicContact CG1-CG1 3.82Å; V333-I339 HydrophobicContact CG2-CD1 4.13Å; V333-I339 HydrophobicContact CG2-CG1 3.7Å; V333-H390 HydrophobicContact CG2-CB 3.88Å; V333-H390 WeakPolarHBondContact CG2-O 3.06Å; V333-H390 PolarHBondContact N-O 3.11Å; V333-H390 WeakPolarHBondContact O-CB 3.45Å; V333-H390 PolarHBondContact O-CD2 3.14Å; V333-H390 VanDerWaalsContact O-CD2 3.28Å; V333-Y411 HydrophobicContact CG1-CE2 4.48Å; V333-A413 HydrophobicContact CB-CB 4.1Å; V333-A413 HydrophobicContact CG1-CB 4Å; V333-A413 HydrophobicContact CG2-CB 4.26Å
334P81.7Confident83.4Confident69 Ų6935.7 Ų35.745%0.44821%0.207SC..  trans-61.3129.8-178.5-24.235.9000112.4L308 G336 H337L308-P334 HydrophobicContact CD2-CG 3.97Å; P334-G336 PolarHBondContact O-N 2.94Å; P334-H337 WeakPolarHBondContact O-CB 3.43Å; P334-H337 PolarHBondContact O-N 2.8Å; P334-H337 VanDerWaalsContact O-N 3.12Å; P334-H337 PolarHBondContact O-ND1 3.21Å
335A76.2Confident84.1Confident80 Ų8035.1 Ų35.166%0.66121%0.208SC*.THydrogen-bonded Turntrans-51.7134.9-177.100000112.4V333V333-A335 PolarHBondContact O-N 3.48Å
336G72Confident85.1Confident51 Ų5134.7 Ų34.753%0.52621%0.206SC..THydrogen-bonded Turntrans98.6-4.2-168.600000114.3P334 A416P334-G336 PolarHBondContact O-N 2.94Å; G336-A416 WeakPolarHBondContact O-CB 3.33Å; G336-A416 PolarHBondContact O-N 2.99Å
337H75.3Confident85.6Confident37 Ų3735 Ų3517%0.17121%0.21CC..EExtended strand (participates in β ladder)trans-103.7151.1167.2-6071000111.5V333 P334 H390 A413 F414V333-H337 HydrophobicContact CG2-CB 3.81Å; P334-H337 WeakPolarHBondContact O-CB 3.43Å; P334-H337 PolarHBondContact O-N 2.8Å; P334-H337 VanDerWaalsContact O-N 3.12Å; P334-H337 PolarHBondContact O-ND1 3.21Å; H337-H390 WeakPolarHBondContact O-CA 3.36Å; H337-H390 WeakPolarHBondContact O-CB 3.48Å; H337-A413 HydrophobicContact CB-CB 4.26Å; H337-F414 CarbonylContact C-O 3.6Å; H337-F414 WeakPolarHBondContact CA-O 3.27Å; H337-F414 VanDerWaalsContact CB-O 3.31Å; H337-F414 WeakPolarHBondContact CB-O 3.4Å
338S84.3Confident86Confident5 Ų535.3 Ų35.34%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-106.4161.9163.4-79.30000109.7S387 A413 F414S338-S387 VanDerWaalsContact CB-O 3.28Å; S338-S387 WeakPolarHBondContact CB-O 3.01Å; S338-S387 PolarHBondContact OG-O 3.22Å; S338-A413 WeakPolarHBondContact O-CA 3.02Å; S338-F414 PolarHBondContact N-O 3.05Å; S338-F414 PolarHBondContact O-N 3.17Å
339I87.9Confident86.3Confident0 Ų035.6 Ų35.60%021%0.211CC..EExtended strand (participates in β ladder)trans-114.5115.4-175-54.8159.7000108.9I331 V333 V386 S387 L392 Y411 L412I331-I339 HydrophobicContact CB-CD1 4.24Å; I331-I339 HydrophobicContact CG2-CD1 3.73Å; I331-I339 HydrophobicContact CG2-CG1 4.35Å; I331-I339 HydrophobicContact CG2-CG2 4.21Å; V333-I339 HydrophobicContact CB-CG1 4.45Å; V333-I339 HydrophobicContact CG1-CD1 4.07Å; V333-I339 HydrophobicContact CG1-CG1 3.82Å; V333-I339 HydrophobicContact CG2-CD1 4.13Å; V333-I339 HydrophobicContact CG2-CG1 3.7Å; I339-V386 WeakPolarHBondContact O-CA 3.43Å; I339-S387 WeakPolarHBondContact CB-OG 3.34Å; I339-S387 PolarHBondContact N-OG 3.4Å; I339-S387 PolarHBondContact O-N 2.62Å; I339-L392 HydrophobicContact CD1-CB 3.82Å; I339-Y411 HydrophobicContact CG2-CD2 4.17Å; I339-Y411 HydrophobicContact CG2-CG 4.43Å; I339-L412 WeakPolarHBondContact CA-O 3.3Å
340E88.3Confident86.2Confident56 Ų5638.8 Ų38.826%0.26224%0.24SC..EExtended strand (participates in β ladder)trans-79.9134.7159.8-174.3-174.6-179.200108.8H384 L385 V386 Y411 L412 F414E340-H384 IonicContact OE1-CE1 3.2Å; E340-H384 IonicContact OE1-CG 2.78Å; E340-H384 IonicContact OE1-ND1 2.98Å; E340-H384 PolarHBondContact OE1-ND1 3.08Å; E340-L385 CarbonylContact C-O 3.49Å; E340-L385 WeakPolarHBondContact CA-O 3.37Å; E340-V386 HydrophobicContact CG-CG2 4.37Å; E340-Y411 CarbonylContact O-C 3.49Å; E340-Y411 WeakPolarHBondContact O-CA 3.41Å; E340-Y411 WeakPolarHBondContact O-CB 3.36Å; E340-L412 PolarHBondContact N-O 3.42Å; E340-L412 PolarHBondContact O-N 2.84Å; E340-F414 HydrophobicContact CB-CD1 4.46Å; E340-F414 HydrophobicContact CB-CE1 4.19Å
341L90.3Very high86.1Confident0 Ų038.7 Ų38.70%024%0.24CC..EExtended strand (participates in β ladder)trans-125127.6174.2177.868.6000109.6F312 I331 F343 V361 L385 L392 V394 A409F312-L341 HydrophobicContact CE1-CD1 3.76Å; F312-L341 HydrophobicContact CZ-CD1 3.89Å; I331-L341 HydrophobicContact CD1-CD1 4.49Å; L341-F343 HydrophobicContact CD2-CE2 3.75Å; L341-F343 HydrophobicContact CD2-CZ 4.09Å; L341-F343 HydrophobicContact CG-CE2 4.09Å; L341-V361 HydrophobicContact CD2-CG1 4.02Å; L341-V361 HydrophobicContact CD2-CG2 4.15Å; L341-L385 HydrophobicContact CB-CB 4.44Å; L341-L385 PolarHBondContact N-O 2.85Å; L341-L385 PolarHBondContact O-N 2.93Å; L341-L392 HydrophobicContact CD2-CD2 3.97Å; L341-V394 HydrophobicContact CD2-CG2 3.73Å; L341-A409 HydrophobicContact CD1-CB 4.03Å
342Q91.9Very high85.5Confident61 Ų6144.1 Ų44.129%0.28527%0.269SS..EExtended strand (participates in β ladder)trans-127.9132178.5-169.4-171.63100110.5H344 H384 A409 T410Q342-H344 VanDerWaalsContact CD-CE1 3.46Å; Q342-H344 PolarHBondContact O-CD2 3.46Å; Q342-H344 PolarHBondContact OE1-CE1 3.15Å; Q342-H344 PolarHBondContact OE1-NE2 3.09Å; Q342-H384 VanDerWaalsContact CD-CE1 3.47Å; Q342-H384 PolarHBondContact NE2-CE1 3.05Å; Q342-H384 PolarHBondContact NE2-NE2 3.35Å; Q342-A409 CarbonylContact O-C 3.55Å; Q342-A409 VanDerWaalsContact O-CA 3.25Å; Q342-A409 WeakPolarHBondContact O-CA 3.17Å; Q342-T410 PolarHBondContact N-O 3.01Å; Q342-T410 PolarHBondContact O-N 3.01Å
343F91.8Very high85.1Confident8 Ų849.5 Ų49.54%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-94.5144.4176.8-73.4-95.5000112L341 F346 V359 V361 P382 L385 V394 F407 A409L341-F343 HydrophobicContact CD2-CE2 3.75Å; L341-F343 HydrophobicContact CD2-CZ 4.09Å; L341-F343 HydrophobicContact CG-CE2 4.09Å; F343-F346 HydrophobicContact CB-CD2 4.38Å; F343-F346 HydrophobicContact CD1-CD2 4.01Å; F343-F346 HydrophobicContact CD1-CE2 4.21Å; F343-F346 HydrophobicContact CG-CD2 4.46Å; F343-V359 HydrophobicContact CE1-CG1 4.01Å; F343-V359 HydrophobicContact CE1-CG2 4.16Å; F343-V359 HydrophobicContact CZ-CG1 4.12Å; F343-V359 HydrophobicContact CZ-CG2 4.15Å; F343-V361 HydrophobicContact CE2-CG2 4.09Å; F343-V361 HydrophobicContact CZ-CG2 3.96Å; F343-P382 HydrophobicContact CB-CG 4.15Å; F343-P382 HydrophobicContact CD1-CG 4.46Å; F343-P382 HydrophobicContact CD2-CB 3.76Å; F343-P382 HydrophobicContact CD2-CG 3.68Å; F343-P382 HydrophobicContact CE2-CB 4.3Å; F343-P382 HydrophobicContact CE2-CG 4.15Å; F343-P382 HydrophobicContact CG-CB 4.33Å; F343-P382 HydrophobicContact CG-CG 3.85Å; F343-L385 HydrophobicContact CE2-CD1 4.34Å; F343-V394 HydrophobicContact CZ-CG1 4.3Å; F343-F407 HydrophobicContact CD1-CB 4.41Å; F343-F407 AromaticContact CD1-CD2 3.71Å; F343-F407 HydrophobicContact CD1-CD2 3.71Å; F343-F407 HydrophobicContact CD1-CE2 4.12Å; F343-F407 HydrophobicContact CD1-CG 4.02Å; F343-F407 AromaticContact CE1-CD2 3.77Å; F343-F407 HydrophobicContact CE1-CD2 3.77Å; F343-F407 HydrophobicContact CE1-CE1 4.42Å; F343-F407 AromaticContact CE1-CE2 3.68Å; F343-F407 HydrophobicContact CE1-CE2 3.68Å; F343-F407 HydrophobicContact CE1-CG 4.22Å; F343-F407 HydrophobicContact CE1-CZ 4.03Å; F343-A409 HydrophobicContact CD1-CB 3.92Å; F343-A409 HydrophobicContact CE1-CB 4.11Å; F343-A409 HydrophobicContact CG-CB 4.31Å
344H88.4Confident85.2Confident62 Ų6250 Ų5029%0.28729%0.293SS..EExtended strand (participates in β ladder)trans-135.7148.8-176.3-58.6-89.1000110.4Q342 F346 S408 T410Q342-H344 VanDerWaalsContact CD-CE1 3.46Å; Q342-H344 PolarHBondContact O-CD2 3.46Å; Q342-H344 PolarHBondContact OE1-CE1 3.15Å; Q342-H344 PolarHBondContact OE1-NE2 3.09Å; H344-F346 PolarHBondContact O-N 2.78Å; H344-F346 VanDerWaalsContact O-N 3.16Å; H344-S408 PolarHBondContact N-O 2.94Å; H344-S408 PolarHBondContact O-N 2.83Å; H344-S408 PolarHBondContact O-OG 3.09Å; H344-T410 PolarHBondContact NE2-OG1 2.79Å
345N87.6Confident85.2Confident113 Ų11351.3 Ų51.360%0.60429%0.292SS*.EExtended strand (participates in β ladder)trans49.739.8178.7-60.7-33.2000113.4Y317 S347Y317-N345 PolarHBondContact OH-ND2 2.73Å; N345-S347 PolarHBondContact O-N 2.04Å
346F91.8Very high85.6Confident11 Ų1151.7 Ų51.75%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-75.7121.7-172.3-167.7-94.2000111.9F343 H344 L348 V359 F376 G378 E380 P381 P382 G406 F407F343-F346 HydrophobicContact CB-CD2 4.38Å; F343-F346 HydrophobicContact CD1-CD2 4.01Å; F343-F346 HydrophobicContact CD1-CE2 4.21Å; F343-F346 HydrophobicContact CG-CD2 4.46Å; H344-F346 PolarHBondContact O-N 2.78Å; H344-F346 VanDerWaalsContact O-N 3.16Å; F346-L348 HydrophobicContact CE1-CG 4.28Å; F346-L348 HydrophobicContact CE2-CD1 4.14Å; F346-L348 HydrophobicContact CE2-CG 4.25Å; F346-L348 HydrophobicContact CZ-CD1 3.73Å; F346-L348 HydrophobicContact CZ-CG 3.88Å; F346-V359 HydrophobicContact CE2-CG1 3.7Å; F346-V359 HydrophobicContact CZ-CG1 3.97Å; F346-F376 HydrophobicContact CZ-CB 4.03Å; F346-G378 WeakPolarHBondContact CD1-O 3.11Å; F346-G378 WeakPolarHBondContact CE1-O 3.48Å; F346-E380 VanDerWaalsContact CD1-O 3.25Å; F346-E380 WeakPolarHBondContact CD1-O 3.35Å; F346-P381 HydrophobicContact CB-CB 3.91Å; F346-P382 HydrophobicContact CD2-CG 4.39Å; F346-P382 HydrophobicContact CE2-CG 4.16Å; F346-P382 HydrophobicContact CZ-CG 4.35Å; F346-G406 CarbonylContact C-O 3.55Å; F346-F407 HydrophobicContact CB-CB 4.5Å; F346-F407 HydrophobicContact CD2-CB 3.59Å; F346-F407 HydrophobicContact CD2-CD1 4.25Å; F346-F407 HydrophobicContact CD2-CG 4.13Å; F346-F407 HydrophobicContact CE2-CB 4.26Å; F346-F407 HydrophobicContact CE2-CD1 4.04Å; F346-F407 HydrophobicContact CE2-CG 4.35Å; F346-F407 HydrophobicContact CG-CB 4.41Å
347S91.1Very high86.5Confident33 Ų3349.3 Ų49.323%0.23125%0.254CS..EExtended strand (participates in β ladder)trans-157.296.5174.1-165.90000111N345 G378 S404 G405 G406N345-S347 PolarHBondContact O-N 2.04Å; S347-G378 CarbonylContact C-O 3.53Å; S347-G378 WeakPolarHBondContact CA-O 2.96Å; S347-S404 CarbonylContact O-C 3.56Å; S347-S404 VanDerWaalsContact O-CB 3.25Å; S347-S404 WeakPolarHBondContact O-CB 3.42Å; S347-S404 PolarHBondContact O-OG 2.99Å; S347-S404 PolarHBondContact OG-OG 3.22Å; S347-G405 PolarHBondContact O-N 2.03Å; S347-G406 CarbonylContact C-O 3.53Å; S347-G406 PolarHBondContact N-O 2.85Å; S347-G406 PolarHBondContact O-N 3.48Å
348L91.8Very high87.2Confident6 Ų648.3 Ų48.33%0.03125%0.249CC..  trans-104.4176.7168.6-55.2-171.9000110.2Y321 F346 D357 C377 G378 F396 F407Y321-L348 HydrophobicContact CD1-CD2 4.25Å; Y321-L348 HydrophobicContact CE1-CD2 3.55Å; Y321-L348 WeakPolarHBondContact OH-CA 3.36Å; F346-L348 HydrophobicContact CE1-CG 4.28Å; F346-L348 HydrophobicContact CE2-CD1 4.14Å; F346-L348 HydrophobicContact CE2-CG 4.25Å; F346-L348 HydrophobicContact CZ-CD1 3.73Å; F346-L348 HydrophobicContact CZ-CG 3.88Å; L348-D357 HydrophobicContact CB-CB 4.23Å; L348-C377 HydrophobicContact CB-CB 4.49Å; L348-G378 PolarHBondContact N-O 2.95Å; L348-G378 WeakPolarHBondContact O-CA 3.43Å; L348-F396 HydrophobicContact CD1-CD2 4.09Å; L348-F396 HydrophobicContact CD1-CE2 3.76Å; L348-F396 HydrophobicContact CD2-CD2 4.36Å; L348-F396 HydrophobicContact CD2-CE2 3.44Å; L348-F396 VanDerWaalsContact CD2-CE2 3.44Å; L348-F396 HydrophobicContact CD2-CZ 3.9Å; L348-F396 HydrophobicContact CG-CE2 4.25Å; L348-F407 HydrophobicContact CD2-CD1 4.33Å
349E91.2Very high87.7Confident33 Ų3348.1 Ų48.115%0.15425%0.248CC..  trans-58.9142.3167.5-174.6172.1-158.200110.6Y321 F356 D357 C377 G378 I402Y321-E349 PolarHBondContact OH-N 3.18Å; Y321-E349 VanDerWaalsContact OH-N 3.15Å; E349-F356 VanDerWaalsContact OE2-CB 3.22Å; E349-F356 WeakPolarHBondContact OE2-CB 3.49Å; E349-F356 WeakPolarHBondContact OE2-CD2 3.23Å; E349-D357 HydrophobicContact CB-CB 4.05Å; E349-D357 WeakPolarHBondContact CB-OD2 3Å; E349-C377 WeakPolarHBondContact O-CB 3.02Å; E349-G378 PolarHBondContact O-N 3.02Å; E349-I402 HydrophobicContact CG-CB 4.36Å; E349-I402 HydrophobicContact CG-CG2 4.49Å; E349-I402 WeakPolarHBondContact OE1-CD1 3.38Å
350A85.9Confident87.8Confident79 Ų7948.7 Ų48.765%0.65325%0.25SS*.  trans-102.3112.2178.700000110.6
351Q83.4Confident87.9Confident61 Ų6146 Ų4629%0.28524%0.238SC..  trans-137.5150.5172.1-141.9-54.8-85.700109.2E353 C354 F356Q351-E353 PolarHBondContact O-N 3.37Å; Q351-C354 PolarHBondContact O-N 2.98Å; Q351-C354 VanDerWaalsContact O-N 3.09Å; Q351-F356 HydrophobicContact CB-CD2 4.09Å; Q351-F356 HydrophobicContact CB-CE2 4.39Å; Q351-F356 HydrophobicContact CG-CD2 3.74Å; Q351-F356 HydrophobicContact CG-CE2 3.53Å; Q351-F356 HydrophobicContact CG-CZ 4.29Å
352D74.4Confident87.6Confident116 Ų11647.7 Ų47.762%0.6224%0.244SC*.G310 helixtrans-48.9131.7169.2-44.6-62.4000109.8C354 K355D352-C354 PolarHBondContact O-N 2.8Å; D352-K355 PolarHBondContact O-NZ 2.87Å
353E77.4Confident87.3Confident152 Ų15245.4 Ų45.471%0.7123%0.234SC*.G310 helixtrans59.212.3178.4-48.3165.7130.800115.3Q351 K355Q351-E353 PolarHBondContact O-N 3.37Å; E353-K355 WeakPolarHBondContact OE2-CE 2.96Å; E353-K355 IonicContact OE2-NZ 2.71Å; E353-K355 PolarHBondContact OE2-NZ 2.91Å
354C86.2Confident86.3Confident17 Ų1746 Ų4612%0.11524%0.238CC..G310 helixtrans55.160.2175-57.80000114.1Q351 D352 Y358 R375 C377Q351-C354 PolarHBondContact O-N 2.98Å; Q351-C354 VanDerWaalsContact O-N 3.09Å; D352-C354 PolarHBondContact O-N 2.8Å; C354-Y358 VanDerWaalsContact O-CD1 3.3Å; C354-Y358 WeakPolarHBondContact O-CD1 3.44Å; C354-R375 HydrophobicContact CB-CG 3.96Å; C354-R375 PolarHBondContact O-NH1 2.9Å; C354-C377 WeakPolarHBondContact CA-SG 3.45Å; C354-C377 HydrophobicContact CB-CB 3.53Å; C354-C377 WeakPolarHBondContact CB-SG 3.19Å; C354-C377 WeakPolarHBondContact SG-CB 3.33Å; C354-C377 PolarHBondContact SG-N 2.85Å; C354-C377 CovalentContact SG-SG 2.03Å; C354-C377 PolarHBondContact SG-SG 2.03Å
355K82.4Confident85Confident96 Ų9644.6 Ų44.642%0.41724%0.235SC..  trans-85-21.7-173.7-64.1-176.7-172.573.90116.2D352 E353D352-K355 PolarHBondContact O-NZ 2.87Å; E353-K355 WeakPolarHBondContact OE2-CE 2.96Å; E353-K355 IonicContact OE2-NZ 2.71Å; E353-K355 PolarHBondContact OE2-NZ 2.91Å
356F84Confident83.4Confident88 Ų8844.7 Ų44.739%0.38625%0.245SC..SBendtrans-104.1-100.3-177.2-56.2-41.3000109.7E349 Q351 Y358 D399E349-F356 VanDerWaalsContact OE2-CB 3.22Å; E349-F356 WeakPolarHBondContact OE2-CB 3.49Å; E349-F356 WeakPolarHBondContact OE2-CD2 3.23Å; Q351-F356 HydrophobicContact CB-CD2 4.09Å; Q351-F356 HydrophobicContact CB-CE2 4.39Å; Q351-F356 HydrophobicContact CG-CD2 3.74Å; Q351-F356 HydrophobicContact CG-CE2 3.53Å; Q351-F356 HydrophobicContact CG-CZ 4.29Å; F356-Y358 WeakPolarHBondContact O-CD1 3.3Å; F356-D399 HydrophobicContact CB-CB 4.09Å
357D90.3Very high81.4Confident2 Ų248.7 Ų48.71%0.01127%0.274CS..SBendtrans-78.7129.6172.2-58.2-34.1000111.6Y321 L348 E349 C377 R397 T398 D399Y321-D357 HydrophobicContact CE2-CB 4.4Å; Y321-D357 WeakPolarHBondContact CE2-OD2 3.27Å; Y321-D357 PolarHBondContact OH-OD2 3.05Å; L348-D357 HydrophobicContact CB-CB 4.23Å; E349-D357 HydrophobicContact CB-CB 4.05Å; E349-D357 WeakPolarHBondContact CB-OD2 3Å; D357-C377 VanDerWaalsContact O-CB 3.25Å; D357-C377 WeakPolarHBondContact O-CB 3.41Å; D357-R397 WeakPolarHBondContact CA-O 3.37Å; D357-T398 HydrophobicContact CB-CG2 4.46Å; D357-T398 WeakPolarHBondContact OD1-CA 3.46Å; D357-T398 WeakPolarHBondContact OD1-CB 3.33Å; D357-D399 PolarHBondContact OD1-N 2.97Å
358Y91.8Very high79.6Confident16 Ų1649.6 Ų49.66%0.06329%0.288CS..EExtended strand (participates in β ladder)trans-153.8158.4178.564.9-104.2000113.2C354 F356 E360 R375 F376 F396 R397C354-Y358 VanDerWaalsContact O-CD1 3.3Å; C354-Y358 WeakPolarHBondContact O-CD1 3.44Å; F356-Y358 WeakPolarHBondContact O-CD1 3.3Å; Y358-E360 HydrophobicContact CD2-CG 3.8Å; Y358-E360 HydrophobicContact CE2-CG 3.79Å; Y358-E360 WeakPolarHBondContact CE2-OE2 3.02Å; Y358-R375 HydrophobicContact CD2-CG 4.15Å; Y358-R375 HydrophobicContact CG-CG 4.19Å; Y358-F376 WeakPolarHBondContact CA-O 3.02Å; Y358-F396 VanDerWaalsContact O-CD2 3.3Å; Y358-F396 WeakPolarHBondContact O-CD2 3.05Å; Y358-R397 HydrophobicContact CD2-CB 4.4Å; Y358-R397 HydrophobicContact CE1-CB 4.31Å; Y358-R397 HydrophobicContact CE1-CG 4.49Å; Y358-R397 HydrophobicContact CE2-CB 4.01Å; Y358-R397 PolarHBondContact N-O 2.85Å; Y358-R397 PolarHBondContact O-N 2.76Å; Y358-R397 WeakPolarHBondContact OH-CD 3.07Å
359V93.8Very high77.6Confident0 Ų051.9 Ų51.90%031%0.308CS..EExtended strand (participates in β ladder)trans-114.3134.5162.669.80000110.2F343 F346 R375 F376 V394 L395 F396 F407F343-V359 HydrophobicContact CE1-CG1 4.01Å; F343-V359 HydrophobicContact CE1-CG2 4.16Å; F343-V359 HydrophobicContact CZ-CG1 4.12Å; F343-V359 HydrophobicContact CZ-CG2 4.15Å; F346-V359 HydrophobicContact CE2-CG1 3.7Å; F346-V359 HydrophobicContact CZ-CG1 3.97Å; V359-R375 CarbonylContact O-C 3.51Å; V359-R375 WeakPolarHBondContact O-CA 3.11Å; V359-F376 HydrophobicContact CG1-CB 4.03Å; V359-F376 HydrophobicContact CG1-CD2 4.28Å; V359-F376 PolarHBondContact N-O 2.81Å; V359-F376 PolarHBondContact O-N 3.38Å; V359-V394 HydrophobicContact CG2-CG1 3.51Å; V359-L395 CarbonylContact C-O 3.5Å; V359-L395 WeakPolarHBondContact CA-O 3.4Å; V359-L395 WeakPolarHBondContact CG2-O 3.43Å; V359-F396 HydrophobicContact CB-CD2 4.46Å; V359-F396 HydrophobicContact CG2-CB 4.3Å; V359-F407 HydrophobicContact CB-CE1 3.98Å; V359-F407 HydrophobicContact CB-CZ 4.46Å; V359-F407 HydrophobicContact CG1-CE1 4.5Å; V359-F407 HydrophobicContact CG2-CE1 3.96Å; V359-F407 HydrophobicContact CG2-CZ 3.93Å
360E90.8Very high76.4Confident12 Ų1253.3 Ų53.36%0.05631%0.314CS..EExtended strand (participates in β ladder)trans-112.9146170.8-75.6-177.8127.100110Y358 Y362 L372 G374 R375 L395Y358-E360 HydrophobicContact CD2-CG 3.8Å; Y358-E360 HydrophobicContact CE2-CG 3.79Å; Y358-E360 WeakPolarHBondContact CE2-OE2 3.02Å; E360-Y362 HydrophobicContact CB-CD2 4.47Å; E360-Y362 HydrophobicContact CB-CE2 3.67Å; E360-Y362 PolarHBondContact OE2-OH 2.81Å; E360-L372 HydrophobicContact CB-CD1 3.85Å; E360-L372 HydrophobicContact CG-CD1 4Å; E360-G374 WeakPolarHBondContact CA-O 3.34Å; E360-R375 VanDerWaalsContact CD-NE 3.28Å; E360-R375 HydrophobicContact CG-CB 3.75Å; E360-R375 HydrophobicContact CG-CG 3.76Å; E360-R375 IonicContact OE1-CZ 3.17Å; E360-R375 IonicContact OE1-NE 3.27Å; E360-R375 PolarHBondContact OE1-NE 2.89Å; E360-R375 IonicContact OE1-NH2 2.8Å; E360-R375 PolarHBondContact OE1-NH2 2.88Å; E360-R375 IonicContact OE2-CZ 3.66Å; E360-R375 IonicContact OE2-NE 2.99Å; E360-R375 IonicContact OE2-NH2 2.72Å; E360-R375 PolarHBondContact OE2-NH2 2.84Å; E360-L395 HydrophobicContact CB-CB 4.44Å; E360-L395 PolarHBondContact N-O 2.03Å; E360-L395 PolarHBondContact O-N 3.28Å
361V89.3Confident76Confident0 Ų051.3 Ų51.30%030%0.295CS..EExtended strand (participates in β ladder)trans-126127.8179.2-177.70000109L341 F343 L373 G374 F376 L385 L392 V394L341-V361 HydrophobicContact CD2-CG1 4.02Å; L341-V361 HydrophobicContact CD2-CG2 4.15Å; F343-V361 HydrophobicContact CE2-CG2 4.09Å; F343-V361 HydrophobicContact CZ-CG2 3.96Å; V361-L373 HydrophobicContact CB-CB 4.41Å; V361-L373 HydrophobicContact CG1-CB 4.36Å; V361-L373 HydrophobicContact CG1-CD1 4.13Å; V361-L373 PolarHBondContact O-N 3.29Å; V361-G374 PolarHBondContact N-O 2.79Å; V361-F376 HydrophobicContact CG2-CE2 4.44Å; V361-L385 HydrophobicContact CB-CD1 3.89Å; V361-L385 HydrophobicContact CG1-CD1 3.93Å; V361-L385 HydrophobicContact CG2-CD1 3.76Å; V361-L392 HydrophobicContact CG1-CD1 3.86Å; V361-L392 HydrophobicContact CG1-CD2 4.01Å; V361-L392 HydrophobicContact CG1-CG 4.03Å; V361-V394 HydrophobicContact CG1-CG2 4.3Å; V361-V394 HydrophobicContact CG2-CG1 4.3Å; V361-V394 HydrophobicContact CG2-CG2 4.28Å
362Y84.2Confident75.8Confident35 Ų3552.5 Ų52.514%0.13730%0.303CS..EExtended strand (participates in β ladder)trans-124.3144.2-177.6-56.7-95.1000111.5F282 E360 F370 S371 L372 L392 A393 L395F282-Y362 HydrophobicContact CZ-CD1 4.26Å; F282-Y362 HydrophobicContact CZ-CE1 4.18Å; E360-Y362 HydrophobicContact CB-CD2 4.47Å; E360-Y362 HydrophobicContact CB-CE2 3.67Å; E360-Y362 PolarHBondContact OE2-OH 2.81Å; Y362-F370 HydrophobicContact CD1-CB 4.36Å; Y362-S371 CarbonylContact C-O 3.05Å; Y362-S371 WeakPolarHBondContact CA-O 3.44Å; Y362-L372 HydrophobicContact CD1-CB 4.01Å; Y362-L372 HydrophobicContact CD1-CD1 3.97Å; Y362-L372 HydrophobicContact CE1-CB 3.98Å; Y362-L372 HydrophobicContact CE1-CD1 3.62Å; Y362-L372 HydrophobicContact CE1-CG 4.36Å; Y362-L372 HydrophobicContact CE2-CD1 4.29Å; Y362-L372 HydrophobicContact CG-CD1 4.44Å; Y362-L392 CarbonylContact O-C 3.6Å; Y362-L392 WeakPolarHBondContact O-CA 3.37Å; Y362-L392 WeakPolarHBondContact O-CG 3.46Å; Y362-A393 PolarHBondContact N-O 3.24Å; Y362-A393 PolarHBondContact O-N 2.94Å; Y362-L395 HydrophobicContact CE2-CB 4.05Å; Y362-L395 HydrophobicContact CE2-CD2 4.19Å
363E84.9Confident76.1Confident14 Ų1449.6 Ų49.67%0.06529%0.288CS..EExtended strand (participates in β ladder)trans-111.8145170.956.5174.6-16100111.7S365 F370 S371 L373 S388E363-S365 PolarHBondContact O-N 3.3Å; E363-F370 CarbonylContact O-C 3.07Å; E363-F370 WeakPolarHBondContact O-CA 3.33Å; E363-S371 PolarHBondContact N-O 2.71Å; E363-S371 PolarHBondContact O-N 2.77Å; E363-L373 HydrophobicContact CB-CD1 4.31Å; E363-L373 HydrophobicContact CB-CG 4.43Å; E363-L373 HydrophobicContact CG-CD1 4.38Å; E363-L373 HydrophobicContact CG-CD2 3.98Å; E363-L373 HydrophobicContact CG-CG 4.04Å; E363-S388 PolarHBondContact OE1-OG 3.01Å; E363-S388 WeakPolarHBondContact OE2-CB 3.47Å; E363-S388 PolarHBondContact OE2-N 3.06Å; E363-S388 PolarHBondContact OE2-OG 3.26Å
364T72.4Confident76.3Confident20 Ų2043.1 Ų43.112%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-80.3115.4176.8-51.20000109.9H389 E391T364-H389 WeakPolarHBondContact O-CB 3.36Å; T364-H389 PolarHBondContact O-ND1 3Å; T364-E391 PolarHBondContact N-O 2.98Å; T364-E391 WeakPolarHBondContact OG1-CB 3.46Å
365S61.2Low76.4Confident33 Ų3347 Ų4723%0.23127%0.274CS..  trans-72.5163.1173.874.30000112.1E363 S367 G368 A369E363-S365 PolarHBondContact O-N 3.3Å; S365-S367 PolarHBondContact O-N 2.71Å; S365-S367 PolarHBondContact OG-N 3.29Å; S365-S367 PolarHBondContact OG-OG 2.94Å; S365-G368 PolarHBondContact O-N 3.32Å; S365-A369 VanDerWaalsContact CB-O 3.23Å; S365-A369 WeakPolarHBondContact CB-O 3.25Å; S365-A369 PolarHBondContact N-O 3.04Å; S365-A369 PolarHBondContact OG-O 3.27Å
366S52.8Low76.8Confident115 Ų11544.2 Ų44.280%0.80426%0.262SS*.THydrogen-bonded Turntrans-59.2-6.5175.458.70000115.8H389S366-H389 PolarHBondContact N-NE2 3.38Å
367S50Low77.2Confident94 Ų9441.1 Ų41.166%0.65725%0.251SS*.THydrogen-bonded Turntrans-95.5-7.5172.569.30000114.4S365 A369S365-S367 PolarHBondContact O-N 2.71Å; S365-S367 PolarHBondContact OG-N 3.29Å; S365-S367 PolarHBondContact OG-OG 2.94Å; S367-A369 VanDerWaalsContact C-N 3.3Å; S367-A369 PolarHBondContact OG-N 2.99Å
368G53.4Low77.3Confident52 Ų5241.3 Ų41.354%0.53625%0.253SS..SBendtrans85.7-7.6-170.200000114.4S365S365-G368 PolarHBondContact O-N 3.32Å
369A50.3Low77.1Confident54 Ų5444 Ų4445%0.44628%0.279SS..  trans-79.3139.2171.700000111.3S365 S367S365-A369 VanDerWaalsContact CB-O 3.23Å; S365-A369 WeakPolarHBondContact CB-O 3.25Å; S365-A369 PolarHBondContact N-O 3.04Å; S365-A369 PolarHBondContact OG-O 3.27Å; S367-A369 VanDerWaalsContact C-N 3.3Å; S367-A369 PolarHBondContact OG-N 2.99Å
370F66.6Low76.8Confident63 Ų6352.1 Ų52.128%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-77.3147.3176-61.4-77.4000112.4F282 Y362 E363 A393F282-F370 AromaticContact CD1-CD2 3.96Å; F282-F370 HydrophobicContact CD1-CD2 3.96Å; F282-F370 HydrophobicContact CD2-CD2 4.42Å; F282-F370 HydrophobicContact CE1-CB 3.77Å; F282-F370 AromaticContact CE1-CD2 3.56Å; F282-F370 HydrophobicContact CE1-CD2 3.56Å; F282-F370 HydrophobicContact CE1-CG 4.1Å; F282-F370 HydrophobicContact CE2-CD2 4.03Å; F282-F370 HydrophobicContact CG-CD2 4.38Å; F282-F370 HydrophobicContact CZ-CB 3.63Å; F282-F370 AromaticContact CZ-CD2 3.59Å; F282-F370 HydrophobicContact CZ-CD2 3.59Å; F282-F370 AromaticContact CZ-CG 3.89Å; F282-F370 HydrophobicContact CZ-CG 3.89Å; Y362-F370 HydrophobicContact CD1-CB 4.36Å; E363-F370 CarbonylContact O-C 3.07Å; E363-F370 WeakPolarHBondContact O-CA 3.33Å; F370-A393 HydrophobicContact CE1-CB 4.46Å
371S75.9Confident76.5Confident38 Ų3855.3 Ų55.327%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-122.6130.8173.8-165.60000110.4Y362 E363 L373Y362-S371 CarbonylContact C-O 3.05Å; Y362-S371 WeakPolarHBondContact CA-O 3.44Å; E363-S371 PolarHBondContact N-O 2.71Å; E363-S371 PolarHBondContact O-N 2.77Å; S371-L373 PolarHBondContact O-N 2.85Å
372L79.8Confident76.5Confident85 Ų8555.8 Ų55.845%0.44534%0.342SS..EExtended strand (participates in β ladder)trans-78.2116.1-178.7-179.770.7000110.7E360 Y362E360-L372 HydrophobicContact CB-CD1 3.85Å; E360-L372 HydrophobicContact CG-CD1 4Å; Y362-L372 HydrophobicContact CD1-CB 4.01Å; Y362-L372 HydrophobicContact CD1-CD1 3.97Å; Y362-L372 HydrophobicContact CE1-CB 3.98Å; Y362-L372 HydrophobicContact CE1-CD1 3.62Å; Y362-L372 HydrophobicContact CE1-CG 4.36Å; Y362-L372 HydrophobicContact CE2-CD1 4.29Å; Y362-L372 HydrophobicContact CG-CD1 4.44Å
373L80.8Confident76.3Confident56 Ų5658.1 Ų58.129%0.29336%0.361SS..EExtended strand (participates in β ladder)trans-78.5-27.2172.5-67.7-178.2000112.7V361 E363 S371 L392V361-L373 HydrophobicContact CB-CB 4.41Å; V361-L373 HydrophobicContact CG1-CB 4.36Å; V361-L373 HydrophobicContact CG1-CD1 4.13Å; V361-L373 PolarHBondContact O-N 3.29Å; E363-L373 HydrophobicContact CB-CD1 4.31Å; E363-L373 HydrophobicContact CB-CG 4.43Å; E363-L373 HydrophobicContact CG-CD1 4.38Å; E363-L373 HydrophobicContact CG-CD2 3.98Å; E363-L373 HydrophobicContact CG-CG 4.04Å; S371-L373 PolarHBondContact O-N 2.85Å; L373-L392 HydrophobicContact CD1-CD1 3.97Å
374G81.1Confident76.1Confident16 Ų1662.3 Ų62.317%0.16538%0.381CS..EExtended strand (participates in β ladder)trans165.5165.9172.400000114.5E360 V361 F376E360-G374 WeakPolarHBondContact CA-O 3.34Å; V361-G374 PolarHBondContact N-O 2.79Å; G374-F376 VanDerWaalsContact C-CE2 3.48Å
375R88.1Confident76.7Confident97 Ų9762.2 Ų62.237%0.36638%0.379SS..EExtended strand (participates in β ladder)trans-118.7135.5172.6-178.7-177.1-71.2-144-6.5109.3C354 Y358 V359 E360C354-R375 HydrophobicContact CB-CG 3.96Å; C354-R375 PolarHBondContact O-NH1 2.9Å; Y358-R375 HydrophobicContact CD2-CG 4.15Å; Y358-R375 HydrophobicContact CG-CG 4.19Å; V359-R375 CarbonylContact O-C 3.51Å; V359-R375 WeakPolarHBondContact O-CA 3.11Å; E360-R375 VanDerWaalsContact CD-NE 3.28Å; E360-R375 HydrophobicContact CG-CB 3.75Å; E360-R375 HydrophobicContact CG-CG 3.76Å; E360-R375 IonicContact OE1-CZ 3.17Å; E360-R375 IonicContact OE1-NE 3.27Å; E360-R375 PolarHBondContact OE1-NE 2.89Å; E360-R375 IonicContact OE1-NH2 2.8Å; E360-R375 PolarHBondContact OE1-NH2 2.88Å; E360-R375 IonicContact OE2-CZ 3.66Å; E360-R375 IonicContact OE2-NE 2.99Å; E360-R375 IonicContact OE2-NH2 2.72Å; E360-R375 PolarHBondContact OE2-NH2 2.84Å
376F91.8Very high77.7Confident38 Ų3861.6 Ų61.617%0.16737%0.374CS..EExtended strand (participates in β ladder)trans-141.3146.7-172.6-46.8-85.6000112.8F346 Y358 V359 V361 G374 P382 L385F346-F376 HydrophobicContact CZ-CB 4.03Å; Y358-F376 WeakPolarHBondContact CA-O 3.02Å; V359-F376 HydrophobicContact CG1-CB 4.03Å; V359-F376 HydrophobicContact CG1-CD2 4.28Å; V359-F376 PolarHBondContact N-O 2.81Å; V359-F376 PolarHBondContact O-N 3.38Å; V361-F376 HydrophobicContact CG2-CE2 4.44Å; G374-F376 VanDerWaalsContact C-CE2 3.48Å; F376-P382 HydrophobicContact CB-CG 3.7Å; F376-P382 HydrophobicContact CD1-CB 3.86Å; F376-P382 HydrophobicContact CD1-CG 3.91Å; F376-P382 HydrophobicContact CD2-CB 4.16Å; F376-P382 HydrophobicContact CD2-CG 3.91Å; F376-P382 HydrophobicContact CE1-CB 4.02Å; F376-P382 HydrophobicContact CE2-CB 4.31Å; F376-P382 HydrophobicContact CG-CB 3.94Å; F376-P382 HydrophobicContact CG-CG 3.56Å; F376-P382 HydrophobicContact CZ-CB 4.24Å; F376-L385 HydrophobicContact CE2-CD1 3.96Å; F376-L385 HydrophobicContact CZ-CD1 4.21Å; F376-L385 HydrophobicContact CZ-CD2 4.25Å
377C93.2Very high79.1Confident23 Ų2356.1 Ų56.116%0.15534%0.336CS..  trans-159.3-178.8-179.867.10000111.2L348 E349 C354 D357L348-C377 HydrophobicContact CB-CB 4.49Å; E349-C377 WeakPolarHBondContact O-CB 3.02Å; C354-C377 WeakPolarHBondContact CA-SG 3.45Å; C354-C377 HydrophobicContact CB-CB 3.53Å; C354-C377 WeakPolarHBondContact CB-SG 3.19Å; C354-C377 WeakPolarHBondContact SG-CB 3.33Å; C354-C377 PolarHBondContact SG-N 2.85Å; C354-C377 CovalentContact SG-SG 2.03Å; C354-C377 PolarHBondContact SG-SG 2.03Å; D357-C377 VanDerWaalsContact O-CB 3.25Å; D357-C377 WeakPolarHBondContact O-CB 3.41Å
378G91.2Very high80.3Confident6 Ų652.5 Ų52.56%0.06231%0.31CS..SBendtrans72.6-153.8-175.900000113.8F346 S347 L348 E349F346-G378 WeakPolarHBondContact CD1-O 3.11Å; F346-G378 WeakPolarHBondContact CE1-O 3.48Å; S347-G378 CarbonylContact C-O 3.53Å; S347-G378 WeakPolarHBondContact CA-O 2.96Å; L348-G378 PolarHBondContact N-O 2.95Å; L348-G378 WeakPolarHBondContact O-CA 3.43Å; E349-G378 PolarHBondContact O-N 3.02Å
379A88.1Confident81.5Confident74 Ų7452.1 Ų52.161%0.61230%0.295SS*.SBendtrans-113.25.3-167.700000115.3
380E86.7Confident83Confident169 Ų16952.6 Ų52.679%0.7929%0.287SS*.SBendtrans-98.1127.6170.8-62.9-165.8158.500108.7F346F346-E380 VanDerWaalsContact CD1-O 3.25Å; F346-E380 WeakPolarHBondContact CD1-O 3.35Å
381P85.2Confident83.8Confident79 Ų7952.8 Ų52.851%0.51329%0.289SS..PPolyproline II helixtrans-68.9143.3-178.828.4-34000111F346F346-P381 HydrophobicContact CB-CB 3.91Å
382P88.1Confident84.4Confident11 Ų1151.2 Ų51.27%0.07128%0.278CS..PPolyproline II helixtrans-50.2152.7170-2832.7000113.3F343 F346 F376F343-P382 HydrophobicContact CB-CG 4.15Å; F343-P382 HydrophobicContact CD1-CG 4.46Å; F343-P382 HydrophobicContact CD2-CB 3.76Å; F343-P382 HydrophobicContact CD2-CG 3.68Å; F343-P382 HydrophobicContact CE2-CB 4.3Å; F343-P382 HydrophobicContact CE2-CG 4.15Å; F343-P382 HydrophobicContact CG-CB 4.33Å; F343-P382 HydrophobicContact CG-CG 3.85Å; F346-P382 HydrophobicContact CD2-CG 4.39Å; F346-P382 HydrophobicContact CE2-CG 4.16Å; F346-P382 HydrophobicContact CZ-CG 4.35Å; F376-P382 HydrophobicContact CB-CG 3.7Å; F376-P382 HydrophobicContact CD1-CB 3.86Å; F376-P382 HydrophobicContact CD1-CG 3.91Å; F376-P382 HydrophobicContact CD2-CB 4.16Å; F376-P382 HydrophobicContact CD2-CG 3.91Å; F376-P382 HydrophobicContact CE1-CB 4.02Å; F376-P382 HydrophobicContact CE2-CB 4.31Å; F376-P382 HydrophobicContact CG-CB 3.94Å; F376-P382 HydrophobicContact CG-CG 3.56Å; F376-P382 HydrophobicContact CZ-CB 4.24Å
383P81.1Confident84.7Confident84 Ų8447.5 Ų47.555%0.54526%0.259SS..PPolyproline II helixtrans-60.9167.9167.829.9-36000111.1L385P383-L385 HydrophobicContact CG-CD2 4.28Å; P383-L385 PolarHBondContact O-N 2.6Å
384H81.2Confident85.2Confident102 Ų10244.8 Ų44.847%0.47225%0.245SC..PPolyproline II helixtrans-61.3127.8169.5-70.8-123000108.9E340 Q342E340-H384 IonicContact OE1-CE1 3.2Å; E340-H384 IonicContact OE1-CG 2.78Å; E340-H384 IonicContact OE1-ND1 2.98Å; E340-H384 PolarHBondContact OE1-ND1 3.08Å; Q342-H384 VanDerWaalsContact CD-CE1 3.47Å; Q342-H384 PolarHBondContact NE2-CE1 3.05Å; Q342-H384 PolarHBondContact NE2-NE2 3.35Å
385L83.9Confident85.6Confident18 Ų1844.8 Ų44.89%0.09424%0.241CC..EExtended strand (participates in β ladder)trans-108.7131.3178-58.5178.3000108.7E340 L341 F343 V361 F376 P383E340-L385 CarbonylContact C-O 3.49Å; E340-L385 WeakPolarHBondContact CA-O 3.37Å; L341-L385 HydrophobicContact CB-CB 4.44Å; L341-L385 PolarHBondContact N-O 2.85Å; L341-L385 PolarHBondContact O-N 2.93Å; F343-L385 HydrophobicContact CE2-CD1 4.34Å; V361-L385 HydrophobicContact CB-CD1 3.89Å; V361-L385 HydrophobicContact CG1-CD1 3.93Å; V361-L385 HydrophobicContact CG2-CD1 3.76Å; F376-L385 HydrophobicContact CE2-CD1 3.96Å; F376-L385 HydrophobicContact CZ-CD1 4.21Å; F376-L385 HydrophobicContact CZ-CD2 4.25Å; P383-L385 HydrophobicContact CG-CD2 4.28Å; P383-L385 PolarHBondContact O-N 2.6Å
386V83.5Confident85.7Confident19 Ų1940.1 Ų40.112%0.11522%0.224CC..EExtended strand (participates in β ladder)trans-120.3121.8178.6178.30000108.9I339 E340 F414 C433I339-V386 WeakPolarHBondContact O-CA 3.43Å; E340-V386 HydrophobicContact CG-CG2 4.37Å; V386-F414 HydrophobicContact CG1-CE1 3.98Å; V386-F414 HydrophobicContact CG1-CZ 3.64Å; V386-C433 HydrophobicContact CB-CB 4.21Å; V386-C433 VanDerWaalsContact CB-SG 3.53Å; V386-C433 VanDerWaalsContact CG1-SG 3.59Å
387S82.1Confident85.4Confident1 Ų141.5 Ų41.51%0.00723%0.228CC..  trans-74.4143.1-179.975.60000112.4S338 I339 H389S338-S387 VanDerWaalsContact CB-O 3.28Å; S338-S387 WeakPolarHBondContact CB-O 3.01Å; S338-S387 PolarHBondContact OG-O 3.22Å; I339-S387 WeakPolarHBondContact CB-OG 3.34Å; I339-S387 PolarHBondContact N-OG 3.4Å; I339-S387 PolarHBondContact O-N 2.62Å; S387-H389 WeakPolarHBondContact CB-O 3.33Å; S387-H389 PolarHBondContact OG-O 2.64Å
388S75.1Confident84.9Confident17 Ų1740.7 Ų40.712%0.11922%0.222CC..SBendtrans-61.3-44.316751.90000114.3E363 A430 G432E363-S388 PolarHBondContact OE1-OG 3.01Å; E363-S388 WeakPolarHBondContact OE2-CB 3.47Å; E363-S388 PolarHBondContact OE2-N 3.06Å; E363-S388 PolarHBondContact OE2-OG 3.26Å; S388-A430 WeakPolarHBondContact CB-O 3.22Å; S388-G432 VanDerWaalsContact CA-N 3.33Å
389H78.6Confident84.4Confident45 Ų4542.5 Ų42.521%0.20823%0.23CC..SBendtrans-119.2170.2-169.7-66.974.3000110.8T364 S366 S387 E391 A430T364-H389 WeakPolarHBondContact O-CB 3.36Å; T364-H389 PolarHBondContact O-ND1 3Å; S366-H389 PolarHBondContact N-NE2 3.38Å; S387-H389 WeakPolarHBondContact CB-O 3.33Å; S387-H389 PolarHBondContact OG-O 2.64Å; H389-E391 PolarHBondContact O-N 3.11Å; H389-A430 PolarHBondContact CE1-O 3.28Å
390H81.1Confident83.7Confident63 Ų6345.6 Ų45.629%0.29223%0.232SC..SBendtrans-68.77.2177.369.1-68.9000115.1S332 V333 H337S332-H390 WeakPolarHBondContact CA-O 3.4Å; V333-H390 HydrophobicContact CG2-CB 3.88Å; V333-H390 WeakPolarHBondContact CG2-O 3.06Å; V333-H390 PolarHBondContact N-O 3.11Å; V333-H390 WeakPolarHBondContact O-CB 3.45Å; V333-H390 PolarHBondContact O-CD2 3.14Å; V333-H390 VanDerWaalsContact O-CD2 3.28Å; H337-H390 WeakPolarHBondContact O-CA 3.36Å; H337-H390 WeakPolarHBondContact O-CB 3.48Å
391E83.9Confident83.2Confident68 Ų6839.8 Ų39.832%0.31822%0.217SC..EExtended strand (participates in β ladder)trans-137.5135.4179.8-58.7-161.3132.200111.8I331 S332 T364 H389I331-E391 VanDerWaalsContact O-CA 3.31Å; I331-E391 WeakPolarHBondContact O-CA 3.41Å; S332-E391 PolarHBondContact OG-OE1 3.46Å; T364-E391 PolarHBondContact N-O 2.98Å; T364-E391 WeakPolarHBondContact OG1-CB 3.46Å; H389-E391 PolarHBondContact O-N 3.11Å
392L87.7Confident82.8Confident4 Ų440.8 Ų40.82%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-147.9132.7-178.7176.8144.2000109.8I331 I339 L341 V361 Y362 L373 V394I331-L392 WeakPolarHBondContact CB-O 3.36Å; I331-L392 HydrophobicContact CD1-CD2 3.88Å; I331-L392 PolarHBondContact N-O 3.38Å; I331-L392 PolarHBondContact O-N 3.19Å; I339-L392 HydrophobicContact CD1-CB 3.82Å; L341-L392 HydrophobicContact CD2-CD2 3.97Å; V361-L392 HydrophobicContact CG1-CD1 3.86Å; V361-L392 HydrophobicContact CG1-CD2 4.01Å; V361-L392 HydrophobicContact CG1-CG 4.03Å; Y362-L392 CarbonylContact O-C 3.6Å; Y362-L392 WeakPolarHBondContact O-CA 3.37Å; Y362-L392 WeakPolarHBondContact O-CG 3.46Å; L373-L392 HydrophobicContact CD1-CD1 3.97Å; L392-V394 HydrophobicContact CD2-CG2 3.58Å
393A87.3Confident82.6Confident7 Ų741 Ų416%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-109.3139.5177.200000110.8W329 Y362 F370W329-A393 CarbonylContact O-C 3.56Å; W329-A393 VanDerWaalsContact O-CA 3.3Å; W329-A393 WeakPolarHBondContact O-CA 3.22Å; Y362-A393 PolarHBondContact N-O 3.24Å; Y362-A393 PolarHBondContact O-N 2.94Å; F370-A393 HydrophobicContact CE1-CB 4.46Å
394V90.4Very high82.8Confident0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-122.3122.4175.9-177.60000108.9F312 T328 W329 L341 F343 V359 V361 L392F312-V394 HydrophobicContact CE2-CB 4.21Å; F312-V394 HydrophobicContact CE2-CG1 3.98Å; F312-V394 HydrophobicContact CE2-CG2 4.5Å; F312-V394 HydrophobicContact CZ-CB 4.13Å; F312-V394 HydrophobicContact CZ-CG1 4.15Å; F312-V394 HydrophobicContact CZ-CG2 3.93Å; T328-V394 CarbonylContact C-O 3.58Å; T328-V394 WeakPolarHBondContact CA-O 3.4Å; W329-V394 HydrophobicContact CB-CB 4.48Å; W329-V394 HydrophobicContact CE3-CB 4.33Å; W329-V394 HydrophobicContact CE3-CG1 4.25Å; W329-V394 PolarHBondContact N-O 3.44Å; W329-V394 PolarHBondContact O-N 3.44Å; L341-V394 HydrophobicContact CD2-CG2 3.73Å; F343-V394 HydrophobicContact CZ-CG1 4.3Å; V359-V394 HydrophobicContact CG2-CG1 3.51Å; V361-V394 HydrophobicContact CG1-CG2 4.3Å; V361-V394 HydrophobicContact CG2-CG1 4.3Å; V361-V394 HydrophobicContact CG2-CG2 4.28Å; L392-V394 HydrophobicContact CD2-CG2 3.58Å
395L88.6Confident82.9Confident15 Ų1535.3 Ų35.38%0.07920%0.198CC..EExtended strand (participates in β ladder)trans-113.2113-176.9-176.171.2000109.2L326 C327 T328 V359 E360 Y362L326-L395 HydrophobicContact CD1-CD1 3.81Å; L326-L395 HydrophobicContact CD1-CG 4.31Å; L326-L395 HydrophobicContact CG-CD1 4.03Å; C327-L395 WeakPolarHBondContact O-CA 3.44Å; T328-L395 HydrophobicContact CG2-CD1 4.24Å; T328-L395 WeakPolarHBondContact OG1-CD1 3.46Å; V359-L395 CarbonylContact C-O 3.5Å; V359-L395 WeakPolarHBondContact CA-O 3.4Å; V359-L395 WeakPolarHBondContact CG2-O 3.43Å; E360-L395 HydrophobicContact CB-CB 4.44Å; E360-L395 PolarHBondContact N-O 2.03Å; E360-L395 PolarHBondContact O-N 3.28Å; Y362-L395 HydrophobicContact CE2-CB 4.05Å; Y362-L395 HydrophobicContact CE2-CD2 4.19Å
396F90.7Very high83.2Confident0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-105.1130.6171169.9-120.1000110.1T314 Y321 L326 C327 W329 L348 Y358 V359 T398 F407T314-F396 HydrophobicContact CG2-CD1 3.79Å; T314-F396 HydrophobicContact CG2-CE1 3.49Å; T314-F396 VanDerWaalsContact CG2-CE1 3.49Å; T314-F396 HydrophobicContact CG2-CE2 4.31Å; T314-F396 HydrophobicContact CG2-CG 4.29Å; T314-F396 HydrophobicContact CG2-CZ 3.77Å; Y321-F396 HydrophobicContact CD1-CZ 4.04Å; Y321-F396 HydrophobicContact CD2-CZ 4.11Å; Y321-F396 HydrophobicContact CE1-CZ 4.32Å; Y321-F396 HydrophobicContact CE2-CZ 4.37Å; Y321-F396 HydrophobicContact CG-CE1 4.41Å; Y321-F396 AromaticContact CG-CZ 3.92Å; Y321-F396 HydrophobicContact CG-CZ 3.92Å; L326-F396 CarbonylContact C-O 3.54Å; L326-F396 WeakPolarHBondContact CA-O 3.39Å; C327-F396 HydrophobicContact CB-CB 4.16Å; C327-F396 HydrophobicContact CB-CD1 4.26Å; C327-F396 PolarHBondContact N-O 3.28Å; C327-F396 PolarHBondContact O-N 3.3Å; W329-F396 HydrophobicContact CH2-CB 4.28Å; W329-F396 HydrophobicContact CZ3-CB 3.77Å; L348-F396 HydrophobicContact CD1-CD2 4.09Å; L348-F396 HydrophobicContact CD1-CE2 3.76Å; L348-F396 HydrophobicContact CD2-CD2 4.36Å; L348-F396 HydrophobicContact CD2-CE2 3.44Å; L348-F396 VanDerWaalsContact CD2-CE2 3.44Å; L348-F396 HydrophobicContact CD2-CZ 3.9Å; L348-F396 HydrophobicContact CG-CE2 4.25Å; Y358-F396 VanDerWaalsContact O-CD2 3.3Å; Y358-F396 WeakPolarHBondContact O-CD2 3.05Å; V359-F396 HydrophobicContact CB-CD2 4.46Å; V359-F396 HydrophobicContact CG2-CB 4.3Å; F396-T398 HydrophobicContact CE1-CG2 3.63Å; F396-T398 HydrophobicContact CE2-CG2 3.67Å; F396-T398 HydrophobicContact CZ-CG2 3.13Å; F396-F407 HydrophobicContact CB-CE1 3.95Å; F396-F407 HydrophobicContact CB-CZ 4.08Å; F396-F407 HydrophobicContact CD1-CE1 4.48Å; F396-F407 AromaticContact CD2-CE1 3.76Å; F396-F407 HydrophobicContact CD2-CE1 3.76Å; F396-F407 HydrophobicContact CE2-CE1 4.39Å; F396-F407 AromaticContact CG-CE1 3.81Å; F396-F407 HydrophobicContact CG-CE1 3.81Å; F396-F407 HydrophobicContact CG-CZ 4.36Å
397R85.4Confident83.6Confident67 Ų6733.6 Ų33.625%0.25319%0.188SC..EExtended strand (participates in β ladder)trans-127.4142-179.3-176-176.9169.6174.74.4110.7D276 Q325 L326 D357 Y358D276-R397 IonicContact OD1-CZ 2.67Å; D276-R397 VanDerWaalsContact OD1-CZ 3.25Å; D276-R397 IonicContact OD1-NE 2.76Å; D276-R397 IonicContact OD1-NH1 3.93Å; D276-R397 IonicContact OD1-NH2 3.53Å; D276-R397 PolarHBondContact OD1-NH2 2.94Å; D276-R397 IonicContact OD2-CZ 3.25Å; D276-R397 IonicContact OD2-NH1 3.59Å; D276-R397 PolarHBondContact OD2-NH1 3.38Å; D276-R397 IonicContact OD2-NH2 3.56Å; D276-R397 PolarHBondContact OD2-NH2 2.96Å; Q325-R397 WeakPolarHBondContact O-CA 3.45Å; L326-R397 HydrophobicContact CD1-CB 4Å; L326-R397 HydrophobicContact CD1-CG 4.07Å; D357-R397 WeakPolarHBondContact CA-O 3.37Å; Y358-R397 HydrophobicContact CD2-CB 4.4Å; Y358-R397 HydrophobicContact CE1-CB 4.31Å; Y358-R397 HydrophobicContact CE1-CG 4.49Å; Y358-R397 HydrophobicContact CE2-CB 4.01Å; Y358-R397 PolarHBondContact N-O 2.85Å; Y358-R397 PolarHBondContact O-N 2.76Å; Y358-R397 WeakPolarHBondContact OH-CD 3.07Å
398T83.3Confident84.1Confident5 Ų534 Ų343%0.03119%0.191CC..  trans-127.7151.2172.264.60000113.4Y321 P322 Q324 Q325 D357 F396Y321-T398 HydrophobicContact CD2-CG2 3.46Å; Y321-T398 VanDerWaalsContact CD2-CG2 3.46Å; Y321-T398 HydrophobicContact CE2-CG2 3.52Å; Y321-T398 HydrophobicContact CG-CG2 4.31Å; P322-T398 PolarHBondContact O-OG1 3.38Å; Q324-T398 WeakPolarHBondContact CA-O 3.25Å; Q324-T398 PolarHBondContact N-OG1 3.06Å; Q324-T398 VanDerWaalsContact N-OG1 3.15Å; Q325-T398 PolarHBondContact N-OG1 3.32Å; Q325-T398 PolarHBondContact O-N 2.69Å; D357-T398 HydrophobicContact CB-CG2 4.46Å; D357-T398 WeakPolarHBondContact OD1-CA 3.46Å; D357-T398 WeakPolarHBondContact OD1-CB 3.33Å; F396-T398 HydrophobicContact CE1-CG2 3.63Å; F396-T398 HydrophobicContact CE2-CG2 3.67Å; F396-T398 HydrophobicContact CZ-CG2 3.13Å
399D80.4Confident85Confident44 Ų4433.2 Ų33.224%0.23519%0.185CC..  trans-89.5-164.3-176.7111.2-62.7000112H323 Q324 F356 D357 G401H323-D399 CarbonylContact C-O 3.55Å; H323-D399 WeakPolarHBondContact CA-O 3.35Å; H323-D399 VanDerWaalsContact CB-O 3.3Å; H323-D399 WeakPolarHBondContact CB-O 3.28Å; Q324-D399 PolarHBondContact N-O 3.33Å; F356-D399 HydrophobicContact CB-CB 4.09Å; D357-D399 PolarHBondContact OD1-N 2.97Å; D399-G401 VanDerWaalsContact CG-N 3.27Å; D399-G401 VanDerWaalsContact OD1-CA 3.3Å; D399-G401 WeakPolarHBondContact OD1-CA 3.47Å; D399-G401 PolarHBondContact OD1-N 3.06Å; D399-G401 PolarHBondContact OD2-N 3.4Å
400H74.6Confident85.7Confident140 Ų14033 Ų3365%0.64819%0.187SC*.SBendtrans-86.4-7.5174.5-80.8-96.2000114.9Q324Q324-H400 PolarHBondContact NE2-CE1 2.96Å; Q324-H400 PolarHBondContact NE2-NE2 2.9Å; Q324-H400 PolarHBondContact OE1-CE1 3.33Å
401G74.4Confident86.2Confident46 Ų4630.3 Ų30.347%0.47417%0.174SC..SBendtrans-105.1-95.4-154.700000115.1H323 D399H323-G401 PolarHBondContact CE1-O 3.43Å; D399-G401 VanDerWaalsContact CG-N 3.27Å; D399-G401 VanDerWaalsContact OD1-CA 3.3Å; D399-G401 WeakPolarHBondContact OD1-CA 3.47Å; D399-G401 PolarHBondContact OD1-N 3.06Å; D399-G401 PolarHBondContact OD2-N 3.4Å
402I78.2Confident86.6Confident101 Ų10131 Ų3152%0.51818%0.18SC..  trans-91.2165.6-175.5-60.5-168.8000109.3H323 E349H323-I402 PolarHBondContact CE1-O 3.35Å; H323-I402 VanDerWaalsContact CE1-O 3.26Å; H323-I402 PolarHBondContact ND1-O 3.16Å; H323-I402 VanDerWaalsContact ND1-O 3.13Å; E349-I402 HydrophobicContact CG-CB 4.36Å; E349-I402 HydrophobicContact CG-CG2 4.49Å; E349-I402 WeakPolarHBondContact OE1-CD1 3.38Å
403S82.9Confident86.4Confident14 Ų1431.8 Ų31.810%0.09819%0.187CC..  trans-152147.4167.756.90000111.1Q320 Y321 H323Q320-S403 PolarHBondContact NE2-O 3.29Å; Y321-S403 VanDerWaalsContact CE2-CB 3.43Å; Y321-S403 VanDerWaalsContact O-CB 3.29Å; Y321-S403 WeakPolarHBondContact O-CB 3.06Å; Y321-S403 PolarHBondContact O-OG 3.31Å; H323-S403 PolarHBondContact CE1-OG 3.13Å; H323-S403 VanDerWaalsContact CE1-OG 3.31Å
404S85Confident86.1Confident35 Ų3534 Ų3425%0.24520%0.196CC..  trans-128.5-166.9-178.4-1670000111.3Q320 Y321 S347 G406Q320-S404 WeakPolarHBondContact CA-O 3.24Å; Y321-S404 WeakPolarHBondContact CD1-O 3.45Å; Y321-S404 VanDerWaalsContact CE1-N 3.34Å; Y321-S404 WeakPolarHBondContact CE1-O 3.06Å; Y321-S404 PolarHBondContact N-O 3.17Å; Y321-S404 PolarHBondContact OH-N 2.93Å; S347-S404 CarbonylContact O-C 3.56Å; S347-S404 VanDerWaalsContact O-CB 3.25Å; S347-S404 WeakPolarHBondContact O-CB 3.42Å; S347-S404 PolarHBondContact O-OG 2.99Å; S347-S404 PolarHBondContact OG-OG 3.22Å; S404-G406 PolarHBondContact O-N 2.88Å; S404-G406 VanDerWaalsContact O-N 3.16Å
405G84.4Confident85.3Confident33 Ų3337.8 Ų37.834%0.3422%0.216SC..  trans-67.8-8.7-170.300000116.8S347S347-G405 PolarHBondContact O-N 2.03Å
406G90.4Very high83.7Confident0 Ų039.2 Ų39.20%023%0.23CC..EExtended strand (participates in β ladder)trans81.4-143.6177.400000113T314 Y321 F346 S347 S404T314-G406 WeakPolarHBondContact OG1-CA 3.32Å; Y321-G406 VanDerWaalsContact CD1-CA 3.43Å; F346-G406 CarbonylContact C-O 3.55Å; S347-G406 CarbonylContact C-O 3.53Å; S347-G406 PolarHBondContact N-O 2.85Å; S347-G406 PolarHBondContact O-N 3.48Å; S404-G406 PolarHBondContact O-N 2.88Å; S404-G406 VanDerWaalsContact O-N 3.16Å
407F92Very high82Confident0 Ų045.6 Ų45.60%027%0.269CS..EExtended strand (participates in β ladder)trans-154.2161.3172.766-100.7000111.4F312 S313 T314 W329 F343 F346 L348 V359 F396 A409F312-F407 HydrophobicContact CD2-CE2 4.25Å; F312-F407 AromaticContact CE2-CE2 3.88Å; F312-F407 HydrophobicContact CE2-CE2 3.88Å; F312-F407 HydrophobicContact CE2-CZ 4.48Å; S313-F407 CarbonylContact C-O 3.58Å; S313-F407 VanDerWaalsContact CA-O 3.23Å; S313-F407 WeakPolarHBondContact CA-O 3.34Å; S313-F407 VanDerWaalsContact CB-O 3.26Å; S313-F407 WeakPolarHBondContact CB-O 3.1Å; T314-F407 HydrophobicContact CG2-CD1 3.43Å; T314-F407 VanDerWaalsContact CG2-CD1 3.43Å; T314-F407 HydrophobicContact CG2-CD2 4.44Å; T314-F407 HydrophobicContact CG2-CE1 3.54Å; T314-F407 HydrophobicContact CG2-CG 3.91Å; T314-F407 HydrophobicContact CG2-CZ 4.1Å; T314-F407 PolarHBondContact N-O 2.91Å; T314-F407 PolarHBondContact OG1-N 3.37Å; T314-F407 PolarHBondContact OG1-O 2.87Å; W329-F407 HydrophobicContact CH2-CZ 4.25Å; W329-F407 AromaticContact CZ3-CZ 3.94Å; W329-F407 HydrophobicContact CZ3-CZ 3.94Å; F343-F407 HydrophobicContact CD1-CB 4.41Å; F343-F407 AromaticContact CD1-CD2 3.71Å; F343-F407 HydrophobicContact CD1-CD2 3.71Å; F343-F407 HydrophobicContact CD1-CE2 4.12Å; F343-F407 HydrophobicContact CD1-CG 4.02Å; F343-F407 AromaticContact CE1-CD2 3.77Å; F343-F407 HydrophobicContact CE1-CD2 3.77Å; F343-F407 HydrophobicContact CE1-CE1 4.42Å; F343-F407 AromaticContact CE1-CE2 3.68Å; F343-F407 HydrophobicContact CE1-CE2 3.68Å; F343-F407 HydrophobicContact CE1-CG 4.22Å; F343-F407 HydrophobicContact CE1-CZ 4.03Å; F346-F407 HydrophobicContact CB-CB 4.5Å; F346-F407 HydrophobicContact CD2-CB 3.59Å; F346-F407 HydrophobicContact CD2-CD1 4.25Å; F346-F407 HydrophobicContact CD2-CG 4.13Å; F346-F407 HydrophobicContact CE2-CB 4.26Å; F346-F407 HydrophobicContact CE2-CD1 4.04Å; F346-F407 HydrophobicContact CE2-CG 4.35Å; F346-F407 HydrophobicContact CG-CB 4.41Å; L348-F407 HydrophobicContact CD2-CD1 4.33Å; V359-F407 HydrophobicContact CB-CE1 3.98Å; V359-F407 HydrophobicContact CB-CZ 4.46Å; V359-F407 HydrophobicContact CG1-CE1 4.5Å; V359-F407 HydrophobicContact CG2-CE1 3.96Å; V359-F407 HydrophobicContact CG2-CZ 3.93Å; F396-F407 HydrophobicContact CB-CE1 3.95Å; F396-F407 HydrophobicContact CB-CZ 4.08Å; F396-F407 HydrophobicContact CD1-CE1 4.48Å; F396-F407 AromaticContact CD2-CE1 3.76Å; F396-F407 HydrophobicContact CD2-CE1 3.76Å; F396-F407 HydrophobicContact CE2-CE1 4.39Å; F396-F407 AromaticContact CG-CE1 3.81Å; F396-F407 HydrophobicContact CG-CE1 3.81Å; F396-F407 HydrophobicContact CG-CZ 4.36Å; F407-A409 HydrophobicContact CD2-CB 4.27Å; F407-A409 HydrophobicContact CE2-CB 4.33Å
408S91.9Very high80.5Confident10 Ų1049.2 Ų49.27%0.0729%0.288CS..EExtended strand (participates in β ladder)trans-114.7158.5152.150.70000110F312 Y317 H344F312-S408 CarbonylContact O-C 3.59Å; F312-S408 WeakPolarHBondContact O-CA 3.48Å; Y317-S408 VanDerWaalsContact CE2-CB 3.45Å; Y317-S408 WeakPolarHBondContact CE2-OG 3.43Å; Y317-S408 PolarHBondContact OH-OG 2.86Å; H344-S408 PolarHBondContact N-O 2.94Å; H344-S408 PolarHBondContact O-N 2.83Å; H344-S408 PolarHBondContact O-OG 3.09Å
409A92.9Very high79.1Confident0 Ų054.2 Ų54.20%032%0.315CS..EExtended strand (participates in β ladder)trans-142.9142.6176.800000110T311 F312 L341 Q342 F343 F407T311-A409 CarbonylContact C-O 3.59Å; T311-A409 VanDerWaalsContact CA-O 3.3Å; T311-A409 WeakPolarHBondContact CA-O 3.19Å; T311-A409 WeakPolarHBondContact CG2-O 3.34Å; F312-A409 HydrophobicContact CD1-CB 4.31Å; F312-A409 HydrophobicContact CD2-CB 4.48Å; F312-A409 HydrophobicContact CE1-CB 3.75Å; F312-A409 HydrophobicContact CE2-CB 3.97Å; F312-A409 HydrophobicContact CZ-CB 3.57Å; F312-A409 PolarHBondContact N-O 3.08Å; F312-A409 PolarHBondContact O-N 2.8Å; L341-A409 HydrophobicContact CD1-CB 4.03Å; Q342-A409 CarbonylContact O-C 3.55Å; Q342-A409 VanDerWaalsContact O-CA 3.25Å; Q342-A409 WeakPolarHBondContact O-CA 3.17Å; F343-A409 HydrophobicContact CD1-CB 3.92Å; F343-A409 HydrophobicContact CE1-CB 4.11Å; F343-A409 HydrophobicContact CG-CB 4.31Å; F407-A409 HydrophobicContact CD2-CB 4.27Å; F407-A409 HydrophobicContact CE2-CB 4.33Å
410T93.6Very high77.9Confident41 Ų4153.1 Ų53.125%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-115.5137.6176.152.60000109.3G310 T311 Q342 H344G310-T410 WeakPolarHBondContact O-CA 3.45Å; T311-T410 HydrophobicContact CG2-CG2 4.02Å; Q342-T410 PolarHBondContact N-O 3.01Å; Q342-T410 PolarHBondContact O-N 3.01Å; H344-T410 PolarHBondContact NE2-OG1 2.79Å
411Y92.8Very high77.2Confident6 Ų647.2 Ų47.22%0.02429%0.285CS..EExtended strand (participates in β ladder)trans-120.3148.817275.7-89.5000111.8L305 G307 Q309 G310 F312 I331 V333 I339 E340L305-Y411 HydrophobicContact CB-CE1 3.97Å; L305-Y411 HydrophobicContact CD1-CE1 4.03Å; L305-Y411 HydrophobicContact CG-CE1 4.48Å; G307-Y411 PolarHBondContact N-OH 3.24Å; G307-Y411 WeakPolarHBondContact O-CE2 3.22Å; Q309-Y411 VanDerWaalsContact CA-O 3.24Å; Q309-Y411 WeakPolarHBondContact CA-O 3.17Å; G310-Y411 VanDerWaalsContact CA-CE1 3.41Å; G310-Y411 PolarHBondContact N-O 3.26Å; G310-Y411 PolarHBondContact O-N 2.76Å; F312-Y411 HydrophobicContact CD1-CD1 4.48Å; I331-Y411 HydrophobicContact CD1-CD1 3.8Å; I331-Y411 HydrophobicContact CD1-CD2 4.5Å; I331-Y411 HydrophobicContact CD1-CE1 4.43Å; I331-Y411 HydrophobicContact CD1-CG 3.85Å; I331-Y411 HydrophobicContact CG1-CD1 4.22Å; I331-Y411 HydrophobicContact CG1-CE1 4.37Å; I331-Y411 HydrophobicContact CG1-CG 4.45Å; I331-Y411 HydrophobicContact CG2-CD1 4.45Å; I331-Y411 HydrophobicContact CG2-CD2 3.64Å; I331-Y411 HydrophobicContact CG2-CE1 4.42Å; I331-Y411 HydrophobicContact CG2-CE2 3.6Å; I331-Y411 HydrophobicContact CG2-CG 4.08Å; V333-Y411 HydrophobicContact CG1-CE2 4.48Å; I339-Y411 HydrophobicContact CG2-CD2 4.17Å; I339-Y411 HydrophobicContact CG2-CG 4.43Å; E340-Y411 CarbonylContact O-C 3.49Å; E340-Y411 WeakPolarHBondContact O-CA 3.41Å; E340-Y411 WeakPolarHBondContact O-CB 3.36Å
412L90.9Very high76.1Confident83 Ų8346.2 Ų46.244%0.43528%0.275SS..EExtended strand (participates in β ladder)trans-134132178.6-62.8177.2000109.7Q309 I339 E340Q309-L412 HydrophobicContact CB-CD2 3.69Å; I339-L412 WeakPolarHBondContact CA-O 3.3Å; E340-L412 PolarHBondContact N-O 3.42Å; E340-L412 PolarHBondContact O-N 2.84Å
413A84.8Confident74.8Confident21 Ų2148.6 Ų48.617%0.17430%0.297CS..EExtended strand (participates in β ladder)trans-96.4129.3174.200000110.5L308 V333 H337 S338L308-A413 HydrophobicContact CB-CB 4.25Å; L308-A413 HydrophobicContact CD2-CB 3.77Å; L308-A413 VanDerWaalsContact O-CB 3.3Å; L308-A413 WeakPolarHBondContact O-CB 3.04Å; L308-A413 PolarHBondContact O-N 3.43Å; V333-A413 HydrophobicContact CB-CB 4.1Å; V333-A413 HydrophobicContact CG1-CB 4Å; V333-A413 HydrophobicContact CG2-CB 4.26Å; H337-A413 HydrophobicContact CB-CB 4.26Å; S338-A413 WeakPolarHBondContact O-CA 3.02Å
414F81.1Confident73.3Confident54 Ų5451.1 Ų51.124%0.23731%0.314CS..EExtended strand (participates in β ladder)trans-129.7155.5177.463.7-96.2000111H337 S338 E340 V386 A416 P420H337-F414 CarbonylContact C-O 3.6Å; H337-F414 WeakPolarHBondContact CA-O 3.27Å; H337-F414 VanDerWaalsContact CB-O 3.31Å; H337-F414 WeakPolarHBondContact CB-O 3.4Å; S338-F414 PolarHBondContact N-O 3.05Å; S338-F414 PolarHBondContact O-N 3.17Å; E340-F414 HydrophobicContact CB-CD1 4.46Å; E340-F414 HydrophobicContact CB-CE1 4.19Å; V386-F414 HydrophobicContact CG1-CE1 3.98Å; V386-F414 HydrophobicContact CG1-CZ 3.64Å; F414-A416 PolarHBondContact O-N 3.06Å; F414-P420 HydrophobicContact CE2-CB 3.61Å; F414-P420 HydrophobicContact CE2-CG 4.16Å; F414-P420 HydrophobicContact CZ-CB 3.82Å; F414-P420 WeakPolarHBondContact CZ-O 3.24Å
415N72.4Confident72.1Confident78 Ų7852.9 Ų52.942%0.41732%0.319SS..EExtended strand (participates in β ladder)trans-68.3121.2-178.7-64.4-74.9000110.4T417 E418N415-T417 PolarHBondContact O-N 3.12Å; N415-E418 PolarHBondContact O-N 2.94Å
416A56.5Low71Confident45 Ų4553.6 Ų53.637%0.37231%0.314SS..THydrogen-bonded Turntrans-68.32.8-179.900000114.3G336 F414G336-A416 WeakPolarHBondContact O-CB 3.33Å; G336-A416 PolarHBondContact O-N 2.99Å; F414-A416 PolarHBondContact O-N 3.06Å
417T54.4Low69.6Low134 Ų13455.1 Ų55.182%0.82233%0.325SS*.THydrogen-bonded Turntrans-92.9-14.1172.5560000113.8N415N415-T417 PolarHBondContact O-N 3.12Å
418E54.1Low68.3Low143 Ų14355.5 Ų55.567%0.66833%0.328SS*.SBendtrans-95.8145.5162.1-64.6-173.6136.800107.5N415 P420N415-E418 PolarHBondContact O-N 2.94Å; E418-P420 VanDerWaalsContact O-CD 3.22Å; E418-P420 WeakPolarHBondContact O-CD 3.25Å; E418-P420 VanDerWaalsContact O-N 3.09Å
419N52.5Low66.7Low110 Ų11060.7 Ų60.759%0.58835%0.351SS*.  trans-60.2114.1-161.2-164.767.9000111.7C421N419-C421 PolarHBondContact O-N 3.42Å
420P56.7Low65Low22 Ų2262.2 Ų62.214%0.14336%0.364CS..  trans-64.6-10.4-163.4-30.838.4000118.4F414 E418F414-P420 HydrophobicContact CE2-CB 3.61Å; F414-P420 HydrophobicContact CE2-CG 4.16Å; F414-P420 HydrophobicContact CZ-CB 3.82Å; F414-P420 WeakPolarHBondContact CZ-O 3.24Å; E418-P420 VanDerWaalsContact O-CD 3.22Å; E418-P420 WeakPolarHBondContact O-CD 3.25Å; E418-P420 VanDerWaalsContact O-N 3.09Å
421C58.8Low63.2Low15 Ų1561 Ų6110%0.10136%0.359CS..SBendtrans-127.7159.6-164.8-52.40000112N419 E425 S427 C433N419-C421 PolarHBondContact O-N 3.42Å; C421-E425 HydrophobicContact CB-CB 3.57Å; C421-S427 WeakPolarHBondContact SG-CA 2.98Å; C421-S427 VanDerWaalsContact SG-CB 3.59Å; C421-S427 PolarHBondContact SG-N 2.78Å; C421-C433 WeakPolarHBondContact CA-SG 3.35Å; C421-C433 HydrophobicContact CB-CB 3.77Å; C421-C433 WeakPolarHBondContact CB-SG 3.41Å; C421-C433 WeakPolarHBondContact SG-CA 3.35Å; C421-C433 WeakPolarHBondContact SG-CB 3.43Å; C421-C433 CovalentContact SG-SG 2.03Å; C421-C433 PolarHBondContact SG-SG 2.94Å
422G52.3Low61.6Low26 Ų2661.1 Ų61.127%0.26836%0.362SS..  trans-61.7168.2-179.700000113.5S424 E425G422-S424 PolarHBondContact O-N 2.93Å; G422-E425 PolarHBondContact N-OE2 2.98Å; G422-E425 PolarHBondContact O-N 3.2Å
423P49.6Very low60.3Low150 Ų15058.8 Ų58.897%0.97435%0.353SS*.THydrogen-bonded Turntrans-65.52.5-18029.1-36.7000114.8
424S52.7Low59.4Low68 Ų6861 Ų6148%0.47636%0.358SS..THydrogen-bonded Turntrans-120.711.1176.748.70000113G422 G435 V436G422-S424 PolarHBondContact O-N 2.93Å; S424-G435 WeakPolarHBondContact O-CA 3.01Å; S424-V436 PolarHBondContact O-N 2.81Å
425E58.5Low58.1Low71 Ų7159.4 Ų59.433%0.33236%0.357SS..EExtended strand (participates in β ladder)trans-137.1139.6-169.6-68.5159.4-177.300112.7C421 G422 C433 K434C421-E425 HydrophobicContact CB-CB 3.57Å; G422-E425 PolarHBondContact N-OE2 2.98Å; G422-E425 PolarHBondContact O-N 3.2Å; E425-C433 HydrophobicContact CB-CB 4.43Å; E425-K434 CarbonylContact C-O 3.55Å; E425-K434 VanDerWaalsContact CA-O 3.25Å; E425-K434 WeakPolarHBondContact CA-O 3.38Å
426L61.3Low57.2Low48 Ų4858.8 Ų58.825%0.25136%0.356SS..EExtended strand (participates in β ladder)trans-90.7139.3170.7178.368.1000110.3C433 K434 M439L426-C433 WeakPolarHBondContact O-CA 3.41Å; L426-K434 PolarHBondContact N-O 2.78Å; L426-K434 PolarHBondContact O-N 3.41Å; L426-M439 HydrophobicContact CB-CG 4.22Å; L426-M439 HydrophobicContact CB-SD 3.84Å; L426-M439 HydrophobicContact CD1-CE 4.21Å; L426-M439 HydrophobicContact CD1-SD 4.47Å; L426-M439 HydrophobicContact CD2-CE 3.88Å; L426-M439 HydrophobicContact CD2-CG 3.74Å; L426-M439 HydrophobicContact CD2-SD 3.92Å; L426-M439 HydrophobicContact CG-CE 4.45Å; L426-M439 HydrophobicContact CG-SD 4.27Å
427S62.1Low57.1Low33 Ų3361.2 Ų61.223%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-84.6119.5162.6-173.90000109.8C421 G432C421-S427 WeakPolarHBondContact SG-CA 2.98Å; C421-S427 VanDerWaalsContact SG-CB 3.59Å; C421-S427 PolarHBondContact SG-N 2.78Å; S427-G432 WeakPolarHBondContact CA-O 3.43Å
428C64.1Low57.1Low7 Ų759.6 Ų59.65%0.04734%0.338CS..PPolyproline II helixtrans-59.9157.5169.2-59.80000110.4G431 G432 C446C428-G431 WeakPolarHBondContact CB-O 3.23Å; C428-G431 WeakPolarHBondContact O-CA 3.26Å; C428-G431 PolarHBondContact O-N 2.83Å; C428-G432 PolarHBondContact N-O 2.84Å; C428-C446 VanDerWaalsContact CA-SG 3.59Å; C428-C446 HydrophobicContact CB-CB 3.62Å; C428-C446 WeakPolarHBondContact CB-SG 3.34Å; C428-C446 VanDerWaalsContact SG-CA 3.51Å; C428-C446 WeakPolarHBondContact SG-CB 3.45Å; C428-C446 CovalentContact SG-SG 2.03Å; C428-C446 PolarHBondContact SG-SG 2.93Å
429Q59.1Low57.4Low120 Ų12055.7 Ų55.756%0.56132%0.321SS*.THydrogen-bonded Turntrans-83.4-22.4-178.2-147.4-173.9-113.900113.1D448 S450Q429-D448 WeakPolarHBondContact CB-OD2 3.4Å; Q429-S450 PolarHBondContact N-OG 3.04Å
430A55.8Low57.6Low32 Ų3252.3 Ų52.326%0.26431%0.306SS..THydrogen-bonded Turntrans-77.1-1.1156.700000113.1S388 H389 D448S388-A430 WeakPolarHBondContact CB-O 3.22Å; H389-A430 PolarHBondContact CE1-O 3.28Å; A430-D448 HydrophobicContact CB-CB 3.91Å; A430-D448 PolarHBondContact N-OD2 2.87Å
431G57.1Low57.4Low15 Ų1551.4 Ų51.416%0.15530%0.3CS..SBendtrans86.7169.7179.500000114.7C428C428-G431 WeakPolarHBondContact CB-O 3.23Å; C428-G431 WeakPolarHBondContact O-CA 3.26Å; C428-G431 PolarHBondContact O-N 2.83Å
432G59.8Low56.9Low9 Ų956.8 Ų56.89%0.09333%0.325CS..  trans94.2153.1-173.800000112S388 S427 C428S388-G432 VanDerWaalsContact CA-N 3.33Å; S427-G432 WeakPolarHBondContact CA-O 3.43Å; C428-G432 PolarHBondContact N-O 2.84Å
433C63.3Low56.8Low34 Ų3463.2 Ų63.223%0.2334%0.341CS..EExtended strand (participates in β ladder)trans-104132.8-174.9-62.90000112.6V386 C421 E425 L426V386-C433 HydrophobicContact CB-CB 4.21Å; V386-C433 VanDerWaalsContact CB-SG 3.53Å; V386-C433 VanDerWaalsContact CG1-SG 3.59Å; C421-C433 WeakPolarHBondContact CA-SG 3.35Å; C421-C433 HydrophobicContact CB-CB 3.77Å; C421-C433 WeakPolarHBondContact CB-SG 3.41Å; C421-C433 WeakPolarHBondContact SG-CA 3.35Å; C421-C433 WeakPolarHBondContact SG-CB 3.43Å; C421-C433 CovalentContact SG-SG 2.03Å; C421-C433 PolarHBondContact SG-SG 2.94Å; E425-C433 HydrophobicContact CB-CB 4.43Å; L426-C433 WeakPolarHBondContact O-CA 3.41Å
434K64.7Low57.1Low66 Ų6664.7 Ų64.729%0.28733%0.327SS..EExtended strand (participates in β ladder)trans-126.8133.8175.8-65.6-71.6-177149.60109.3E425 L426 W438 D445E425-K434 CarbonylContact C-O 3.55Å; E425-K434 VanDerWaalsContact CA-O 3.25Å; E425-K434 WeakPolarHBondContact CA-O 3.38Å; L426-K434 PolarHBondContact N-O 2.78Å; L426-K434 PolarHBondContact O-N 3.41Å; K434-W438 HydrophobicContact CB-CB 4.41Å; K434-D445 HydrophobicContact CD-CB 4.27Å; K434-D445 WeakPolarHBondContact CE-O 3.03Å; K434-D445 PolarHBondContact NZ-O 2.98Å
435G53.4Low57.8Low21 Ų2163.9 Ų63.922%0.21632%0.317CS..EExtended strand (participates in β ladder)trans-55.9140.7174.100000111.4S424 Q437 W438S424-G435 WeakPolarHBondContact O-CA 3.01Å; G435-Q437 PolarHBondContact O-N 2.8Å; G435-W438 WeakPolarHBondContact O-CB 3.32Å; G435-W438 VanDerWaalsContact O-CD1 3.3Å; G435-W438 PolarHBondContact O-N 2.9Å
436V54.2Low57.9Low66 Ų6660.5 Ų60.540%0.430%0.302SS..THydrogen-bonded Turntrans-62.6-3.8-172.4-65.80000115.6S424 W438 M439S424-V436 PolarHBondContact O-N 2.81Å; V436-W438 VanDerWaalsContact C-N 3.31Å; V436-M439 HydrophobicContact CB-SD 3.89Å; V436-M439 HydrophobicContact CG1-SD 3.88Å
437Q53.7Low57.9Low95 Ų9562.6 Ų62.644%0.44432%0.317SS..THydrogen-bonded Turntrans-71.7-22.9167.466.4-164.157.600113.5G435 M439 P485 I487G435-Q437 PolarHBondContact O-N 2.8Å; Q437-M439 VanDerWaalsContact C-N 3.34Å; Q437-M439 PolarHBondContact O-N 2.87Å; Q437-P485 HydrophobicContact CB-CG 3.9Å; Q437-I487 WeakPolarHBondContact O-CG2 3.45Å
438W55.7Low57.9Low100 Ų10064.1 Ų64.138%0.37932%0.322SS..SBendtrans-98.352-180-50.4114.6000110.1K434 G435 V436 D445K434-W438 HydrophobicContact CB-CB 4.41Å; G435-W438 WeakPolarHBondContact O-CB 3.32Å; G435-W438 VanDerWaalsContact O-CD1 3.3Å; G435-W438 PolarHBondContact O-N 2.9Å; V436-W438 VanDerWaalsContact C-N 3.31Å; W438-D445 HydrophobicContact CB-CB 4.48Å; W438-D445 WeakPolarHBondContact CB-OD2 3.39Å
439M60.1Low57.6Low61 Ų6164.7 Ų64.730%0.333%0.33SS..SBendtrans-136.3132.3-176.8-74-17666.400109.6L426 V436 Q437 D441L426-M439 HydrophobicContact CB-CG 4.22Å; L426-M439 HydrophobicContact CB-SD 3.84Å; L426-M439 HydrophobicContact CD1-CE 4.21Å; L426-M439 HydrophobicContact CD1-SD 4.47Å; L426-M439 HydrophobicContact CD2-CE 3.88Å; L426-M439 HydrophobicContact CD2-CG 3.74Å; L426-M439 HydrophobicContact CD2-SD 3.92Å; L426-M439 HydrophobicContact CG-CE 4.45Å; L426-M439 HydrophobicContact CG-SD 4.27Å; V436-M439 HydrophobicContact CB-SD 3.89Å; V436-M439 HydrophobicContact CG1-SD 3.88Å; Q437-M439 VanDerWaalsContact C-N 3.34Å; Q437-M439 PolarHBondContact O-N 2.87Å; M439-D441 PolarHBondContact O-N 2.87Å; M439-D441 VanDerWaalsContact O-N 3.17Å
440C56.1Low57.7Low40 Ų4060.1 Ų60.127%0.2731%0.311SS..SBendtrans53.730.7178.6-66.70000114.2D451 C454C440-D451 PolarHBondContact N-O 3.35Å; C440-C454 HydrophobicContact CB-CB 4.39Å; C440-C454 WeakPolarHBondContact CB-SG 3.39Å; C440-C454 WeakPolarHBondContact SG-CB 3.25Å; C440-C454 CovalentContact SG-SG 2.03Å; C440-C454 PolarHBondContact SG-SG 2.82Å
441D54.1Low58Low2 Ų258.7 Ų58.71%0.01130%0.299CS..SBendtrans-96-3.8-174.481.3-25.6000113.4M439 W443 I487M439-D441 PolarHBondContact O-N 2.87Å; M439-D441 VanDerWaalsContact O-N 3.17Å; D441-W443 VanDerWaalsContact C-N 3.32Å; D441-W443 WeakPolarHBondContact OD1-CB 3.17Å; D441-W443 PolarHBondContact OD1-N 2.93Å; D441-I487 HydrophobicContact CB-CB 3.72Å; D441-I487 HydrophobicContact CB-CG1 4.39Å
442M47.3Very low58.3Low128 Ų12860.6 Ų60.663%0.63131%0.305SS*.SBendtrans73.412.5-175.2-51-74.6-51.900115.1D452M442-D452 VanDerWaalsContact CA-OD1 3.26Å; M442-D452 WeakPolarHBondContact CA-OD1 3.3Å; M442-D452 PolarHBondContact N-OD1 2.86Å
443W51Low58.4Low162 Ų16263.7 Ų63.761%0.61432%0.32SS*.SBendtrans-102.3159.4166.5-64.482.7000110.1D441D441-W443 VanDerWaalsContact C-N 3.32Å; D441-W443 WeakPolarHBondContact OD1-CB 3.17Å; D441-W443 PolarHBondContact OD1-N 2.93Å
444R55.9Low58.3Low181 Ų18166.1 Ų66.168%0.68334%0.336SS*.  trans-106.375.6-179.9-172.6-177.7-63.4-159-0.6109.5C446R444-C446 WeakPolarHBondContact CG-O 3.3Å
445D65.8Low57.7Low50 Ų5067.7 Ų67.727%0.26736%0.355SS..  trans-81.7-36177.5-82.1-31.1000111.9K434 W438 D451K434-D445 HydrophobicContact CD-CB 4.27Å; K434-D445 WeakPolarHBondContact CE-O 3.03Å; K434-D445 PolarHBondContact NZ-O 2.98Å; W438-D445 HydrophobicContact CB-CB 4.48Å; W438-D445 WeakPolarHBondContact CB-OD2 3.39Å; D445-D451 WeakPolarHBondContact CA-OD2 3.41Å; D445-D451 PolarHBondContact N-OD2 2.92Å
446C61.1Low57.2Low1 Ų174.6 Ų74.61%0.00738%0.375CS..SBendtrans-81.1124.7161.4-65.50000109.2C428 R444 D448 G449 D451C428-C446 VanDerWaalsContact CA-SG 3.59Å; C428-C446 HydrophobicContact CB-CB 3.62Å; C428-C446 WeakPolarHBondContact CB-SG 3.34Å; C428-C446 VanDerWaalsContact SG-CA 3.51Å; C428-C446 WeakPolarHBondContact SG-CB 3.45Å; C428-C446 CovalentContact SG-SG 2.03Å; C428-C446 PolarHBondContact SG-SG 2.93Å; R444-C446 WeakPolarHBondContact CG-O 3.3Å; C446-D448 WeakPolarHBondContact CB-OD1 3.39Å; C446-D448 PolarHBondContact O-N 3.47Å; C446-G449 PolarHBondContact O-N 2.52Å; C446-D451 HydrophobicContact CB-CB 4.04Å; C446-D451 PolarHBondContact N-OD2 2.88Å
447T61.4Low56.9Low91 Ų9177.6 Ų77.656%0.55840%0.396SS*.THydrogen-bonded Turntrans-58.7-21.9-17253.60000114.8
448D61.6Low56.2Low65 Ų6579.3 Ų79.335%0.34841%0.407SS..THydrogen-bonded Turntrans-94.2-8.2176.965.4-18.3000115.3Q429 A430 C446 S450Q429-D448 WeakPolarHBondContact CB-OD2 3.4Å; A430-D448 HydrophobicContact CB-CB 3.91Å; A430-D448 PolarHBondContact N-OD2 2.87Å; C446-D448 WeakPolarHBondContact CB-OD1 3.39Å; C446-D448 PolarHBondContact O-N 3.47Å; D448-S450 VanDerWaalsContact CG-OG 3.28Å; D448-S450 VanDerWaalsContact OD1-CB 3.28Å; D448-S450 WeakPolarHBondContact OD1-CB 3.31Å; D448-S450 PolarHBondContact OD1-N 2.73Å; D448-S450 VanDerWaalsContact OD1-N 3.13Å; D448-S450 PolarHBondContact OD1-OG 3.15Å; D448-S450 WeakPolarHBondContact OD2-CB 3.12Å; D448-S450 PolarHBondContact OD2-OG 2.88Å
449G58Low55.3Low20 Ų2082.6 Ų82.621%0.20643%0.425CS..SBendtrans74.930.4-172.900000114C446 D451C446-G449 PolarHBondContact O-N 2.52Å; G449-D451 WeakPolarHBondContact CA-OD1 3.28Å
450S62.6Low53.9Low24 Ų2484.7 Ų84.717%0.16844%0.443CS..  trans-82.2-23.9178.552.50000114.8Q429 D448 N453Q429-S450 PolarHBondContact N-OG 3.04Å; D448-S450 VanDerWaalsContact CG-OG 3.28Å; D448-S450 VanDerWaalsContact OD1-CB 3.28Å; D448-S450 WeakPolarHBondContact OD1-CB 3.31Å; D448-S450 PolarHBondContact OD1-N 2.73Å; D448-S450 VanDerWaalsContact OD1-N 3.13Å; D448-S450 PolarHBondContact OD1-OG 3.15Å; D448-S450 WeakPolarHBondContact OD2-CB 3.12Å; D448-S450 PolarHBondContact OD2-OG 2.88Å; S450-N453 PolarHBondContact O-N 3.23Å
451D62Low52.8Low2 Ų287.9 Ų87.91%0.01146%0.463CS..SBendtrans-54.6-46.1162.844.6-1.8000113.1C440 D445 C446 G449 N453C440-D451 PolarHBondContact N-O 3.35Å; D445-D451 WeakPolarHBondContact CA-OD2 3.41Å; D445-D451 PolarHBondContact N-OD2 2.92Å; C446-D451 HydrophobicContact CB-CB 4.04Å; C446-D451 PolarHBondContact N-OD2 2.88Å; G449-D451 WeakPolarHBondContact CA-OD1 3.28Å; D451-N453 VanDerWaalsContact C-N 3.27Å; D451-N453 PolarHBondContact O-N 3.42Å
452D61.8Low52Low54 Ų5492 Ų9229%0.28949%0.49SS..SBendtrans-79.6-6.8-179.9-108.2-6.1000112.8M442 C454M442-D452 VanDerWaalsContact CA-OD1 3.26Å; M442-D452 WeakPolarHBondContact CA-OD1 3.3Å; M442-D452 PolarHBondContact N-OD1 2.86Å; D452-C454 VanDerWaalsContact C-N 3.27Å; D452-C454 PolarHBondContact O-N 3.31Å; D452-C454 PolarHBondContact O-SG 3.38Å; D452-C454 VanDerWaalsContact O-SG 3.37Å
453N62.3Low51.7Low75 Ų7595.2 Ų95.240%0.40150%0.503SS..  trans-85.565.4-178.7-1694.7000112.5S450 D451 S455S450-N453 PolarHBondContact O-N 3.23Å; D451-N453 VanDerWaalsContact C-N 3.27Å; D451-N453 PolarHBondContact O-N 3.42Å; N453-S455 PolarHBondContact O-N 3.07Å; N453-S455 VanDerWaalsContact OD1-CB 3.26Å; N453-S455 WeakPolarHBondContact OD1-CB 3.38Å; N453-S455 PolarHBondContact OD1-OG 2.74Å
454C61.1Low51.7Low84 Ų8490.3 Ų90.357%0.56849%0.489SS*.THydrogen-bonded Turntrans-62.113.9178.8-42.70000115.2C440 D452C440-C454 HydrophobicContact CB-CB 4.39Å; C440-C454 WeakPolarHBondContact CB-SG 3.39Å; C440-C454 WeakPolarHBondContact SG-CB 3.25Å; C440-C454 CovalentContact SG-SG 2.03Å; C440-C454 PolarHBondContact SG-SG 2.82Å; D452-C454 VanDerWaalsContact C-N 3.27Å; D452-C454 PolarHBondContact O-N 3.31Å; D452-C454 PolarHBondContact O-SG 3.38Å; D452-C454 VanDerWaalsContact O-SG 3.37Å
455S51.8Low52Low99 Ų9985.6 Ų85.669%0.69249%0.489SS*.THydrogen-bonded Turntrans-83.8-7.4-176.7-46.10000114.1N453N453-S455 PolarHBondContact O-N 3.07Å; N453-S455 VanDerWaalsContact OD1-CB 3.26Å; N453-S455 WeakPolarHBondContact OD1-CB 3.38Å; N453-S455 PolarHBondContact OD1-OG 2.74Å
456R43.8Very low52.6Low166 Ų16685.3 Ų85.363%0.62649%0.49SS*.  trans-107121.1-175.9-86.6-174.2170.21594.4112.3L458R456-L458 PolarHBondContact O-N 2.02Å; R456-L458 VanDerWaalsContact O-N 3.1Å
457P47.8Very low53.7Low129 Ų12988.3 Ų88.384%0.83850%0.504SS*.  trans-83.681.7173.934-33.6000110.5
458L39.9Very low55.2Low132 Ų13288.1 Ų88.169%0.69150%0.504SS*.  trans-129.2132169.4-86.6173.6000111.4R456R456-L458 PolarHBondContact O-N 2.02Å; R456-L458 VanDerWaalsContact O-N 3.1Å
459F34.8Very low56.6Low168 Ų16885.7 Ų85.774%0.73749%0.492SS*.SBendtrans66.2141.3-171.4-62.5-79.4000115.6
460P30.8Very low58.3Low106 Ų10690.3 Ų90.369%0.68851%0.508SS*.PPolyproline II helixtrans-69.5155.917631.9-35.2000109.7
461P34.5Very low59.6Low107 Ų10789.3 Ų89.370%0.69550%0.501SS*.PPolyproline II helixtrans-58.4144.4170.927.4-34.8000109.6
462P37.6Very low60.9Low87 Ų8797 Ų9757%0.56554%0.537SS*.PPolyproline II helixtrans-56.5150.6161.228.2-34.2000108.6L464P462-L464 PolarHBondContact O-N 2.89Å
463E41.2Very low62.1Low197 Ų19796 Ų9692%0.92153%0.531SS*.  trans-68.783.2172.2-73-171.4123.200109.6A465E463-A465 PolarHBondContact O-N 3.08Å
464L49.8Very low63.4Low58 Ų5892.4 Ų92.430%0.30451%0.511SS..  trans-63.777164.6-86157.3000108.2P462 C466 A483P462-L464 PolarHBondContact O-N 2.89Å; L464-C466 PolarHBondContact O-N 3.1Å; L464-C466 VanDerWaalsContact O-N 3.08Å; L464-A483 HydrophobicContact CB-CB 4.39Å; L464-A483 HydrophobicContact CD2-CB 4.06Å
465A62.8Low64.9Low83 Ų8392.7 Ų92.769%0.68651%0.507SS*.  trans-63.6109.3-179.500000108.9E463 E467E463-A465 PolarHBondContact O-N 3.08Å; A465-E467 PolarHBondContact O-N 2.85Å; A465-E467 VanDerWaalsContact O-N 3.12Å
466C78Confident66.5Low44 Ų4491.8 Ų91.830%0.29751%0.513SS..PPolyproline II helixtrans-56.3120.2-178.8-57.40000111.6L464 T481 T482 C528 T529L464-C466 PolarHBondContact O-N 3.1Å; L464-C466 VanDerWaalsContact O-N 3.08Å; C466-T481 HydrophobicContact CB-CG2 4.12Å; C466-T482 CarbonylContact C-O 3.53Å; C466-T482 VanDerWaalsContact CA-O 3.32Å; C466-T482 WeakPolarHBondContact CA-O 3.37Å; C466-C528 WeakPolarHBondContact CA-SG 3.42Å; C466-C528 HydrophobicContact CB-CB 3.71Å; C466-C528 WeakPolarHBondContact CB-SG 3.35Å; C466-C528 WeakPolarHBondContact SG-CB 3.19Å; C466-C528 CovalentContact SG-SG 2.03Å; C466-C528 PolarHBondContact SG-SG 3.13Å; C466-T529 PolarHBondContact SG-O 3.26Å
467E85.4Confident68.6Low64 Ų6485 Ų8530%0.29949%0.489SS..EExtended strand (participates in β ladder)trans-95.1157.517554.4164.3-155.200111.1A465 T481 T482 F484 Q494A465-E467 PolarHBondContact O-N 2.85Å; A465-E467 VanDerWaalsContact O-N 3.12Å; E467-T481 WeakPolarHBondContact O-CA 3.4Å; E467-T482 HydrophobicContact CG-CG2 3.94Å; E467-T482 PolarHBondContact N-O 2.84Å; E467-T482 PolarHBondContact O-N 2.75Å; E467-F484 WeakPolarHBondContact OE1-CD2 3.36Å; E467-Q494 VanDerWaalsContact CD-NE2 3.34Å; E467-Q494 PolarHBondContact OE1-NE2 2.97Å
468P91.3Very high70.4Confident87 Ų8781.9 Ų81.957%0.56547%0.471SS*.EExtended strand (participates in β ladder)trans-64.9144.9173.827.7-35.4000111.5Q470 N480 Q494P468-Q470 PolarHBondContact O-N 2.96Å; P468-N480 WeakPolarHBondContact CA-O 3.48Å; P468-Q494 PolarHBondContact O-NE2 2.97Å
469V92.7Very high72.7Confident14 Ų1476.2 Ų76.29%0.08544%0.44CS..PPolyproline II helixtrans-65.2122.4166.81740000109.1C474 L475 Y479 N480 T482 V525V469-C474 HydrophobicContact CG1-CB 3.97Å; V469-L475 HydrophobicContact CB-CD2 4.48Å; V469-L475 HydrophobicContact CG1-CD2 4.15Å; V469-L475 WeakPolarHBondContact O-CD2 3.48Å; V469-Y479 HydrophobicContact CG2-CD2 4.37Å; V469-Y479 HydrophobicContact CG2-CE2 4.23Å; V469-N480 PolarHBondContact N-O 2.71Å; V469-T482 HydrophobicContact CG2-CG2 4.11Å; V469-V525 HydrophobicContact CG1-CG1 4.07Å; V469-V525 HydrophobicContact CG2-CG1 3.9Å
470Q91.9Very high75.4Confident116 Ų11674 Ų7454%0.54244%0.436SS..  trans-104.4-25.8177.8-57.8-170.985.500112P468 E472P468-Q470 PolarHBondContact O-N 2.96Å; Q470-E472 PolarHBondContact O-N 3.38Å
471V90.4Very high78.2Confident3 Ų370.8 Ų70.82%0.01842%0.415CS..  trans-61107.6178.9-178.50000110.8M473 C474 L475 Q494 V497 V498 L501 V525V471-M473 HydrophobicContact CG1-CB 4.26Å; V471-M473 PolarHBondContact O-N 2.91Å; V471-M473 VanDerWaalsContact O-N 3.13Å; V471-C474 HydrophobicContact CB-CB 4.35Å; V471-C474 HydrophobicContact CG1-CB 4.39Å; V471-C474 PolarHBondContact O-N 2.88Å; V471-L475 PolarHBondContact O-N 2.82Å; V471-Q494 HydrophobicContact CG2-CB 4.1Å; V471-Q494 HydrophobicContact CG2-CG 4.38Å; V471-V497 HydrophobicContact CG1-CG1 4.35Å; V471-V497 HydrophobicContact CG2-CB 4.27Å; V471-V497 HydrophobicContact CG2-CG1 4.1Å; V471-V498 HydrophobicContact CG1-CG2 4.31Å; V471-V498 HydrophobicContact CG2-CG2 4.1Å; V471-L501 HydrophobicContact CG1-CD1 3.7Å; V471-V525 HydrophobicContact CB-CG2 4.07Å; V471-V525 HydrophobicContact CG1-CG2 4.33Å; V471-V525 HydrophobicContact CG2-CG2 3.75Å
472E89.6Confident80.7Confident164 Ų16465.7 Ų65.777%0.76638%0.382SS*.G310 helixtrans-51-41.9-175.5-175.6-177.3-154.900112.6Q470 C474 L475Q470-E472 PolarHBondContact O-N 3.38Å; E472-C474 PolarHBondContact O-N 2.88Å; E472-C474 VanDerWaalsContact O-N 3.14Å; E472-L475 PolarHBondContact O-N 3.32Å
473M86.8Confident82.5Confident32 Ų3261.7 Ų61.716%0.15836%0.356CS..G310 helixtrans-59.7-25.7179.1-164.8176.3-168.800113.1V471 L501 Y513 R517V471-M473 HydrophobicContact CG1-CB 4.26Å; V471-M473 PolarHBondContact O-N 2.91Å; V471-M473 VanDerWaalsContact O-N 3.13Å; M473-L501 HydrophobicContact CB-CD1 4.26Å; M473-L501 HydrophobicContact SD-CB 4.06Å; M473-L501 HydrophobicContact SD-CD1 3.85Å; M473-L501 HydrophobicContact SD-CD2 3.75Å; M473-L501 HydrophobicContact SD-CG 4.11Å; M473-Y513 HydrophobicContact CE-CE2 3.55Å; M473-Y513 WeakPolarHBondContact CE-OH 3.25Å; M473-R517 VanDerWaalsContact O-CZ 3.22Å; M473-R517 PolarHBondContact O-NE 2.85Å; M473-R517 PolarHBondContact O-NH2 3.49Å
474C90.8Very high84Confident0 Ų053.8 Ų53.80%032%0.319CS..G310 helixtrans-103.7-1.9-175.7-560000113.9V469 V471 E472 L477 C521 V525V469-C474 HydrophobicContact CG1-CB 3.97Å; V471-C474 HydrophobicContact CB-CB 4.35Å; V471-C474 HydrophobicContact CG1-CB 4.39Å; V471-C474 PolarHBondContact O-N 2.88Å; E472-C474 PolarHBondContact O-N 2.88Å; E472-C474 VanDerWaalsContact O-N 3.14Å; C474-L477 HydrophobicContact CB-CD1 4.16Å; C474-L477 WeakPolarHBondContact O-CD1 3.2Å; C474-L477 WeakPolarHBondContact O-CG 3.33Å; C474-C521 WeakPolarHBondContact CA-SG 3.12Å; C474-C521 HydrophobicContact CB-CB 3.7Å; C474-C521 WeakPolarHBondContact CB-SG 3.03Å; C474-C521 VanDerWaalsContact SG-CA 3.55Å; C474-C521 WeakPolarHBondContact SG-CB 3.09Å; C474-C521 CovalentContact SG-SG 2.04Å; C474-C521 PolarHBondContact SG-SG 2.95Å; C474-V525 HydrophobicContact CB-CB 4.49Å; C474-V525 HydrophobicContact CB-CG2 4.43Å
475L91.2Very high84.2Confident90 Ų9053.5 Ų53.547%0.47132%0.32SS..THydrogen-bonded Turntrans-65.3137.5174.9-65.2178.5000112.2V469 V471 E472 R517V469-L475 HydrophobicContact CB-CD2 4.48Å; V469-L475 HydrophobicContact CG1-CD2 4.15Å; V469-L475 WeakPolarHBondContact O-CD2 3.48Å; V471-L475 PolarHBondContact O-N 2.82Å; E472-L475 PolarHBondContact O-N 3.32Å; L475-R517 PolarHBondContact O-NH2 3.5Å
476G85.4Confident84.3Confident80 Ų8049.6 Ų49.683%0.82529%0.288SS*.THydrogen-bonded Turntrans80.521.2176.600000115.5
477L88.4Confident82.8Confident24 Ų2449.5 Ų49.513%0.12628%0.284CS..SBendtrans-79.2-178163.9-65.4171.6000110.8C474 Y479 R518 C521 P579C474-L477 HydrophobicContact CB-CD1 4.16Å; C474-L477 WeakPolarHBondContact O-CD1 3.2Å; C474-L477 WeakPolarHBondContact O-CG 3.33Å; L477-Y479 HydrophobicContact CB-CD1 4.24Å; L477-Y479 HydrophobicContact CB-CE1 4.05Å; L477-Y479 HydrophobicContact CD1-CE1 4.23Å; L477-Y479 PolarHBondContact O-N 2.58Å; L477-R518 HydrophobicContact CD2-CG 4.01Å; L477-C521 HydrophobicContact CD1-CB 3.36Å; L477-P579 HydrophobicContact CD1-CB 4.29Å; L477-P579 HydrophobicContact CD2-CB 4.34Å
478S86Confident81.2Confident64 Ų6450.5 Ų50.545%0.44829%0.285SS..SBendtrans-66.22.6179.568.50000115.6Q578 P579S478-Q578 PolarHBondContact OG-O 3.24Å; S478-P579 VanDerWaalsContact CB-OXT 3.23Å; S478-P579 WeakPolarHBondContact CB-OXT 3.48Å; S478-P579 PolarHBondContact N-OXT 2.91Å; S478-P579 WeakPolarHBondContact OG-CA 3.41Å; S478-P579 PolarHBondContact OG-OXT 3.19Å
479Y88.4Confident79.5Confident12 Ų1248.7 Ų48.75%0.04727%0.272CS..  trans-144.9157.4177.763.4-77.9000110.8V469 L477 T481 C521 V525 R527 P579V469-Y479 HydrophobicContact CG2-CD2 4.37Å; V469-Y479 HydrophobicContact CG2-CE2 4.23Å; L477-Y479 HydrophobicContact CB-CD1 4.24Å; L477-Y479 HydrophobicContact CB-CE1 4.05Å; L477-Y479 HydrophobicContact CD1-CE1 4.23Å; L477-Y479 PolarHBondContact O-N 2.58Å; Y479-T481 WeakPolarHBondContact CD2-O 3.24Å; Y479-C521 PolarHBondContact OH-O 3.3Å; Y479-C521 VanDerWaalsContact OH-O 3.11Å; Y479-V525 WeakPolarHBondContact CE2-O 3.25Å; Y479-V525 VanDerWaalsContact CZ-O 3.31Å; Y479-V525 PolarHBondContact OH-O 3.5Å; Y479-R527 HydrophobicContact CD1-CB 4.04Å; Y479-R527 HydrophobicContact CD1-CG 4.36Å; Y479-R527 HydrophobicContact CD2-CB 3.77Å; Y479-R527 HydrophobicContact CD2-CG 4.08Å; Y479-R527 HydrophobicContact CE1-CB 4.35Å; Y479-R527 HydrophobicContact CE2-CB 4.07Å; Y479-R527 HydrophobicContact CG-CB 3.75Å; Y479-R527 HydrophobicContact CG-CG 3.8Å; Y479-P579 HydrophobicContact CE1-CB 3.93Å; Y479-P579 HydrophobicContact CE1-CG 4Å
480N91.4Very high77.7Confident122 Ų12250 Ų5065%0.65229%0.289SS*.  trans-125.70.817963.5-31.7000113P468 V469P468-N480 WeakPolarHBondContact CA-O 3.48Å; V469-N480 PolarHBondContact N-O 2.71Å
481T88.8Confident76Confident39 Ų3945.8 Ų45.824%0.23927%0.269CS..EExtended strand (participates in β ladder)trans-120.1131.3-175.943.20000111.7C466 E467 Y479 C528C466-T481 HydrophobicContact CB-CG2 4.12Å; E467-T481 WeakPolarHBondContact O-CA 3.4Å; Y479-T481 WeakPolarHBondContact CD2-O 3.24Å; T481-C528 PolarHBondContact O-N 3.47Å; T481-C528 PolarHBondContact OG1-O 2.84Å
482T87.3Confident74.6Confident0 Ų048.4 Ų48.40%029%0.291CS..EExtended strand (participates in β ladder)trans-125.9173.7173.6-169.70000108.8C466 E467 V469 F484 Q494 V525 P526 C528C466-T482 CarbonylContact C-O 3.53Å; C466-T482 VanDerWaalsContact CA-O 3.32Å; C466-T482 WeakPolarHBondContact CA-O 3.37Å; E467-T482 HydrophobicContact CG-CG2 3.94Å; E467-T482 PolarHBondContact N-O 2.84Å; E467-T482 PolarHBondContact O-N 2.75Å; V469-T482 HydrophobicContact CG2-CG2 4.11Å; T482-F484 HydrophobicContact CG2-CD2 4.05Å; T482-F484 HydrophobicContact CG2-CE2 3.82Å; T482-F484 WeakPolarHBondContact OG1-CE2 3.32Å; T482-Q494 HydrophobicContact CG2-CG 4.45Å; T482-V525 HydrophobicContact CG2-CG1 3.96Å; T482-P526 WeakPolarHBondContact CA-O 3.4Å; T482-P526 PolarHBondContact OG1-O 3.48Å; T482-P526 VanDerWaalsContact OG1-O 3.12Å; T482-C528 WeakPolarHBondContact O-CB 3.15Å
483A74.6Confident74.1Confident3 Ų343 Ų433%0.02527%0.269CS..  trans-143.5150.716200000109.1L464 C528 V534L464-A483 HydrophobicContact CB-CB 4.39Å; L464-A483 HydrophobicContact CD2-CB 4.06Å; A483-C528 HydrophobicContact CB-CB 4.16Å; A483-V534 HydrophobicContact CB-CG2 3.87Å
484F72.7Confident74Confident31 Ų3141.6 Ų41.614%0.13626%0.263CS..SBendtrans-128154179.9-82.3-101.3000109.5E467 T482 N486 M491 T493 Q494 V497 L524 V525E467-F484 WeakPolarHBondContact OE1-CD2 3.36Å; T482-F484 HydrophobicContact CG2-CD2 4.05Å; T482-F484 HydrophobicContact CG2-CE2 3.82Å; T482-F484 WeakPolarHBondContact OG1-CE2 3.32Å; F484-N486 HydrophobicContact CD1-CB 3.83Å; F484-N486 HydrophobicContact CE1-CB 3.55Å; F484-N486 HydrophobicContact CZ-CB 4.1Å; F484-M491 HydrophobicContact CE1-CB 4.44Å; F484-T493 WeakPolarHBondContact CE1-O 2.99Å; F484-Q494 HydrophobicContact CD2-CG 3.69Å; F484-Q494 HydrophobicContact CE1-CG 4.46Å; F484-Q494 HydrophobicContact CE2-CG 3.3Å; F484-Q494 HydrophobicContact CG-CG 4.45Å; F484-Q494 HydrophobicContact CZ-CG 3.75Å; F484-V497 HydrophobicContact CE1-CG2 3.86Å; F484-V497 HydrophobicContact CZ-CG2 3.88Å; F484-L524 WeakPolarHBondContact CZ-O 3.4Å; F484-V525 HydrophobicContact CE2-CG1 4.41Å
485P55.3Low73.7Confident52 Ų5247.3 Ų47.334%0.33829%0.289SS..SBendcis-66.6144.74.828.7-36.1000113.4Q437 I487 M491Q437-P485 HydrophobicContact CB-CG 3.9Å; P485-I487 HydrophobicContact CG-CG2 4.47Å; P485-I487 PolarHBondContact O-N 2.92Å; P485-M491 CarbonylContact C-O 3.45Å; P485-M491 WeakPolarHBondContact CA-O 3Å
486N63.2Low73.1Confident1 Ų146.2 Ų46.21%0.00528%0.282CS..BIsolated β-bridgetrans-86.886174.4-1795.6000109.3F484 W488 V489 G490 M491 L523 L524 P526F484-N486 HydrophobicContact CD1-CB 3.83Å; F484-N486 HydrophobicContact CE1-CB 3.55Å; F484-N486 HydrophobicContact CZ-CB 4.1Å; N486-W488 PolarHBondContact O-N 2.79Å; N486-V489 HydrophobicContact CB-CG2 4.23Å; N486-V489 VanDerWaalsContact ND2-CG2 3.32Å; N486-V489 WeakPolarHBondContact ND2-CG2 3.3Å; N486-V489 PolarHBondContact O-N 3.16Å; N486-G490 PolarHBondContact O-N 3.3Å; N486-M491 PolarHBondContact N-O 2.79Å; N486-M491 PolarHBondContact O-N 3.03Å; N486-L523 PolarHBondContact ND2-O 2.86Å; N486-L524 WeakPolarHBondContact ND2-CA 3.42Å; N486-L524 PolarHBondContact ND2-O 3.03Å; N486-P526 WeakPolarHBondContact ND2-CD 3.34Å
487I47.4Very low72.9Confident41 Ų4142.4 Ų42.421%0.2124%0.242CC..G310 helixtrans-54.1-44.8-171.963.8177.9000113Q437 D441 P485 V489 G490Q437-I487 WeakPolarHBondContact O-CG2 3.45Å; D441-I487 HydrophobicContact CB-CB 3.72Å; D441-I487 HydrophobicContact CB-CG1 4.39Å; P485-I487 HydrophobicContact CG-CG2 4.47Å; P485-I487 PolarHBondContact O-N 2.92Å; I487-V489 PolarHBondContact O-N 2.86Å; I487-G490 PolarHBondContact O-N 2.91Å
488W50.8Low72.8Confident86 Ų8645 Ų4533%0.32626%0.259SS..G310 helixtrans-62.6-10-174-59.2-63.8000115.8N486 P526 V534 P536N486-W488 PolarHBondContact O-N 2.79Å; W488-P526 HydrophobicContact CE3-CB 4.36Å; W488-P526 HydrophobicContact CE3-CG 4.07Å; W488-P526 HydrophobicContact CZ3-CB 3.94Å; W488-P526 HydrophobicContact CZ3-CG 3.78Å; W488-V534 HydrophobicContact CH2-CB 3.86Å; W488-V534 HydrophobicContact CH2-CG1 4.04Å; W488-V534 WeakPolarHBondContact CH2-O 3.27Å; W488-V534 HydrophobicContact CZ3-CB 4.06Å; W488-V534 HydrophobicContact CZ3-CG1 3.74Å; W488-P536 HydrophobicContact CZ2-CG 4.43Å
489V56.7Low72.6Confident48 Ų4849 Ų4929%0.29127%0.271SS..G310 helixtrans-134.79.5177.5-610000113N486 I487 M491 L524N486-V489 HydrophobicContact CB-CG2 4.23Å; N486-V489 VanDerWaalsContact ND2-CG2 3.32Å; N486-V489 WeakPolarHBondContact ND2-CG2 3.3Å; N486-V489 PolarHBondContact O-N 3.16Å; I487-V489 PolarHBondContact O-N 2.86Å; V489-M491 VanDerWaalsContact C-N 3.35Å; V489-M491 HydrophobicContact CG2-CB 4.19Å; V489-M491 HydrophobicContact CG2-CE 4.44Å; V489-M491 HydrophobicContact CG2-CG 3.93Å; V489-M491 HydrophobicContact CG2-SD 3.89Å; V489-M491 PolarHBondContact O-N 2.93Å; V489-L524 HydrophobicContact CB-CD2 4.27Å; V489-L524 HydrophobicContact CG1-CD2 4.1Å; V489-L524 HydrophobicContact CG2-CD2 4.02Å
490G54.2Low72.1Confident43 Ų4351.5 Ų51.544%0.44329%0.287SS..THydrogen-bonded Turntrans64.428.9176.600000115.4N486 I487N486-G490 PolarHBondContact O-N 3.3Å; I487-G490 PolarHBondContact O-N 2.91Å
491M56Low71.6Confident26 Ų2646.1 Ų46.113%0.12826%0.258CS..BIsolated β-bridgetrans-103.6124.5-178.1-68.3176.5-175.600111.6F484 P485 N486 V489 E496 V497 V500 L524F484-M491 HydrophobicContact CE1-CB 4.44Å; P485-M491 CarbonylContact C-O 3.45Å; P485-M491 WeakPolarHBondContact CA-O 3Å; N486-M491 PolarHBondContact N-O 2.79Å; N486-M491 PolarHBondContact O-N 3.03Å; V489-M491 VanDerWaalsContact C-N 3.35Å; V489-M491 HydrophobicContact CG2-CB 4.19Å; V489-M491 HydrophobicContact CG2-CE 4.44Å; V489-M491 HydrophobicContact CG2-CG 3.93Å; V489-M491 HydrophobicContact CG2-SD 3.89Å; V489-M491 PolarHBondContact O-N 2.93Å; M491-E496 WeakPolarHBondContact CA-OE2 3.26Å; M491-V497 HydrophobicContact CB-CG2 4.47Å; M491-V497 HydrophobicContact SD-CB 4.44Å; M491-V497 HydrophobicContact SD-CG2 3.58Å; M491-V497 VanDerWaalsContact SD-CG2 3.58Å; M491-V500 HydrophobicContact CE-CB 4.23Å; M491-V500 HydrophobicContact CE-CG1 4.27Å; M491-V500 HydrophobicContact CE-CG2 3.82Å; M491-L524 HydrophobicContact CE-CD2 3.96Å; M491-L524 HydrophobicContact SD-CD2 4.03Å
492A61.6Low71.1Confident58 Ų5847.8 Ų47.848%0.47927%0.272SS..  trans-81.9-27.8-177.500000113E496A492-E496 PolarHBondContact N-OE2 3.09Å
493T79.1Confident70.3Confident50 Ų5050.6 Ų50.631%0.30730%0.3SS..  trans-136.1162.4-172.966.40000114.1F484 E495 E496F484-T493 WeakPolarHBondContact CE1-O 2.99Å; T493-E495 PolarHBondContact O-N 3.37Å; T493-E496 WeakPolarHBondContact CB-OE1 3.09Å; T493-E496 WeakPolarHBondContact CG2-OE1 3.1Å; T493-E496 PolarHBondContact N-OE1 3.34Å; T493-E496 VanDerWaalsContact N-OE1 3.08Å; T493-E496 VanDerWaalsContact OG1-CD 3.24Å; T493-E496 WeakPolarHBondContact OG1-CG 3.42Å; T493-E496 PolarHBondContact OG1-N 3.01Å; T493-E496 PolarHBondContact OG1-OE1 2.87Å
494Q84.9Confident70.2Confident4 Ų454.5 Ų54.52%0.01932%0.315CS..Hα-helixtrans-70.7-23.1170.3-75-169.37300112.1E467 P468 V471 T482 F484 V497 V498E467-Q494 VanDerWaalsContact CD-NE2 3.34Å; E467-Q494 PolarHBondContact OE1-NE2 2.97Å; P468-Q494 PolarHBondContact O-NE2 2.97Å; V471-Q494 HydrophobicContact CG2-CB 4.1Å; V471-Q494 HydrophobicContact CG2-CG 4.38Å; T482-Q494 HydrophobicContact CG2-CG 4.45Å; F484-Q494 HydrophobicContact CD2-CG 3.69Å; F484-Q494 HydrophobicContact CE1-CG 4.46Å; F484-Q494 HydrophobicContact CE2-CG 3.3Å; F484-Q494 HydrophobicContact CG-CG 4.45Å; F484-Q494 HydrophobicContact CZ-CG 3.75Å; Q494-V497 WeakPolarHBondContact O-CB 3.48Å; Q494-V497 PolarHBondContact O-N 3Å; Q494-V498 WeakPolarHBondContact O-CG2 3.16Å; Q494-V498 PolarHBondContact O-N 2.95Å
495E84.1Confident70Confident120 Ų12060.1 Ų60.156%0.56134%0.339SS*.Hα-helixtrans-66.1-44.4177.7-73.667.2-160.900111.9T493 V497 V498 E499T493-E495 PolarHBondContact O-N 3.37Å; E495-V497 VanDerWaalsContact C-N 3.27Å; E495-V497 PolarHBondContact O-N 3.35Å; E495-V498 WeakPolarHBondContact O-CB 3.26Å; E495-V498 PolarHBondContact O-N 2.03Å; E495-V498 VanDerWaalsContact O-N 3.07Å; E495-E499 PolarHBondContact O-N 3.07Å; E495-E499 VanDerWaalsContact O-N 3.14Å
496E78.4Confident70.7Confident66 Ų6662.2 Ų62.231%0.30836%0.355SS..Hα-helixtrans-57.7-40.2172.4-71.5148.6-122.400111.9M491 A492 T493 V498 E499 V500M491-E496 WeakPolarHBondContact CA-OE2 3.26Å; A492-E496 PolarHBondContact N-OE2 3.09Å; T493-E496 WeakPolarHBondContact CB-OE1 3.09Å; T493-E496 WeakPolarHBondContact CG2-OE1 3.1Å; T493-E496 PolarHBondContact N-OE1 3.34Å; T493-E496 VanDerWaalsContact N-OE1 3.08Å; T493-E496 VanDerWaalsContact OG1-CD 3.24Å; T493-E496 WeakPolarHBondContact OG1-CG 3.42Å; T493-E496 PolarHBondContact OG1-N 3.01Å; T493-E496 PolarHBondContact OG1-OE1 2.87Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 2.89Å; E496-E499 PolarHBondContact O-N 2.92Å; E496-V500 PolarHBondContact O-N 2.94Å
497V82.1Confident71.1Confident0 Ų063.4 Ų63.40%036%0.361CS..Hα-helixtrans-62.8-36.9176.2179.30000111.4V471 F484 M491 Q494 E495 L501 L524 V525V471-V497 HydrophobicContact CG1-CG1 4.35Å; V471-V497 HydrophobicContact CG2-CB 4.27Å; V471-V497 HydrophobicContact CG2-CG1 4.1Å; F484-V497 HydrophobicContact CE1-CG2 3.86Å; F484-V497 HydrophobicContact CZ-CG2 3.88Å; M491-V497 HydrophobicContact CB-CG2 4.47Å; M491-V497 HydrophobicContact SD-CB 4.44Å; M491-V497 HydrophobicContact SD-CG2 3.58Å; M491-V497 VanDerWaalsContact SD-CG2 3.58Å; Q494-V497 WeakPolarHBondContact O-CB 3.48Å; Q494-V497 PolarHBondContact O-N 3Å; E495-V497 VanDerWaalsContact C-N 3.27Å; E495-V497 PolarHBondContact O-N 3.35Å; V497-L501 HydrophobicContact CG1-CD1 3.65Å; V497-L501 HydrophobicContact CG1-CG 4.11Å; V497-L501 VanDerWaalsContact O-CB 3.22Å; V497-L501 WeakPolarHBondContact O-CB 3.49Å; V497-L501 VanDerWaalsContact O-CG 3.25Å; V497-L501 WeakPolarHBondContact O-CG 3.06Å; V497-L501 PolarHBondContact O-N 3.1Å; V497-L524 HydrophobicContact CG1-CB 3.71Å; V497-L524 HydrophobicContact CG1-CD1 4.36Å; V497-L524 HydrophobicContact CG2-CB 4.38Å; V497-L524 WeakPolarHBondContact CG2-O 3.44Å; V497-V525 HydrophobicContact CG1-CG2 3.72Å
498V85.9Confident72.4Confident79 Ų7965 Ų6548%0.47937%0.373SS..Hα-helixtrans-67.1-38.4176.31730000111.4V471 Q494 E495 E496 S502V471-V498 HydrophobicContact CG1-CG2 4.31Å; V471-V498 HydrophobicContact CG2-CG2 4.1Å; Q494-V498 WeakPolarHBondContact O-CG2 3.16Å; Q494-V498 PolarHBondContact O-N 2.95Å; E495-V498 WeakPolarHBondContact O-CB 3.26Å; E495-V498 PolarHBondContact O-N 2.03Å; E495-V498 VanDerWaalsContact O-N 3.07Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 2.89Å; V498-S502 PolarHBondContact O-N 3.41Å; V498-S502 VanDerWaalsContact O-N 3.11Å
499E82Confident73.6Confident149 Ų14965.6 Ų65.670%0.69639%0.39SS*.Hα-helixtrans-64.1-50.7175-176.8163.8-162.300111.3E495 E496 L501 S502E495-E499 PolarHBondContact O-N 3.07Å; E495-E499 VanDerWaalsContact O-N 3.14Å; E496-E499 PolarHBondContact O-N 2.92Å; E499-L501 PolarHBondContact O-N 3.01Å; E499-S502 VanDerWaalsContact O-CB 3.23Å; E499-S502 WeakPolarHBondContact O-CB 3Å; E499-S502 PolarHBondContact O-N 2.67Å; E499-S502 VanDerWaalsContact O-N 3.11Å; E499-S502 PolarHBondContact O-OG 2.8Å
500V78.3Confident74.7Confident63 Ų6365 Ų6538%0.38239%0.386SS..Hα-helixtrans-62.3-42178.3172.40000111.9M491 E496 S502 Y504M491-V500 HydrophobicContact CE-CB 4.23Å; M491-V500 HydrophobicContact CE-CG1 4.27Å; M491-V500 HydrophobicContact CE-CG2 3.82Å; E496-V500 PolarHBondContact O-N 2.94Å; V500-S502 PolarHBondContact O-N 2.72Å; V500-Y504 HydrophobicContact CG1-CE2 4.21Å; V500-Y504 VanDerWaalsContact O-CD2 3.31Å; V500-Y504 WeakPolarHBondContact O-CD2 3.23Å
501L80.3Confident76Confident9 Ų969.6 Ų69.65%0.04741%0.407CS..Hα-helixtrans-68.7-17.4177.3-73.5178.1000113.7V471 M473 V497 E499 G503 Y504 L520 L524V471-L501 HydrophobicContact CG1-CD1 3.7Å; M473-L501 HydrophobicContact CB-CD1 4.26Å; M473-L501 HydrophobicContact SD-CB 4.06Å; M473-L501 HydrophobicContact SD-CD1 3.85Å; M473-L501 HydrophobicContact SD-CD2 3.75Å; M473-L501 HydrophobicContact SD-CG 4.11Å; V497-L501 HydrophobicContact CG1-CD1 3.65Å; V497-L501 HydrophobicContact CG1-CG 4.11Å; V497-L501 VanDerWaalsContact O-CB 3.22Å; V497-L501 WeakPolarHBondContact O-CB 3.49Å; V497-L501 VanDerWaalsContact O-CG 3.25Å; V497-L501 WeakPolarHBondContact O-CG 3.06Å; V497-L501 PolarHBondContact O-N 3.1Å; E499-L501 PolarHBondContact O-N 3.01Å; L501-G503 VanDerWaalsContact C-N 3.29Å; L501-G503 PolarHBondContact O-N 2.72Å; L501-Y504 HydrophobicContact CD2-CD2 4.39Å; L501-Y504 PolarHBondContact O-N 3.16Å; L501-Y504 VanDerWaalsContact O-N 3.16Å; L501-L520 HydrophobicContact CD2-CB 4.33Å; L501-L520 HydrophobicContact CD2-CD1 3.94Å; L501-L524 HydrophobicContact CD1-CD1 4.48Å; L501-L524 HydrophobicContact CD2-CD1 3.65Å; L501-L524 HydrophobicContact CG-CD1 3.95Å
502S77.2Confident77.4Confident75 Ų7569 Ų6952%0.52441%0.406SS..Hα-helixtrans-60.6-37.5178790000112.5V498 E499 V500 Y504 K505V498-S502 PolarHBondContact O-N 3.41Å; V498-S502 VanDerWaalsContact O-N 3.11Å; E499-S502 VanDerWaalsContact O-CB 3.23Å; E499-S502 WeakPolarHBondContact O-CB 3Å; E499-S502 PolarHBondContact O-N 2.67Å; E499-S502 VanDerWaalsContact O-N 3.11Å; E499-S502 PolarHBondContact O-OG 2.8Å; V500-S502 PolarHBondContact O-N 2.72Å; S502-Y504 VanDerWaalsContact C-N 3.33Å; S502-Y504 PolarHBondContact O-N 3.11Å; S502-K505 WeakPolarHBondContact O-CB 3.17Å; S502-K505 PolarHBondContact O-N 3.29Å
503G71.6Confident78.7Confident58 Ų5868 Ų6860%0.59839%0.39SS*.Hα-helixtrans-66.3-31.1176.700000113.7L501 K505L501-G503 VanDerWaalsContact C-N 3.29Å; L501-G503 PolarHBondContact O-N 2.72Å; G503-K505 VanDerWaalsContact C-N 3.27Å; G503-K505 PolarHBondContact O-N 3.34Å
504Y73.2Confident79.1Confident86 Ų8670.2 Ų70.234%0.33740%0.397SS..G310 helixtrans-81-3.8-179.9-63.7-83.9000113.6V500 L501 S502 S506 L507 F516 L520V500-Y504 HydrophobicContact CG1-CE2 4.21Å; V500-Y504 VanDerWaalsContact O-CD2 3.31Å; V500-Y504 WeakPolarHBondContact O-CD2 3.23Å; L501-Y504 HydrophobicContact CD2-CD2 4.39Å; L501-Y504 PolarHBondContact O-N 3.16Å; L501-Y504 VanDerWaalsContact O-N 3.16Å; S502-Y504 VanDerWaalsContact C-N 3.33Å; S502-Y504 PolarHBondContact O-N 3.11Å; Y504-S506 PolarHBondContact O-N 2.03Å; Y504-S506 VanDerWaalsContact O-N 3.13Å; Y504-L507 HydrophobicContact CD1-CD1 3.83Å; Y504-L507 WeakPolarHBondContact O-CB 3.47Å; Y504-L507 PolarHBondContact O-N 3.05Å; Y504-F516 HydrophobicContact CD1-CE1 4.03Å; Y504-F516 HydrophobicContact CE1-CE1 4.49Å; Y504-L520 HydrophobicContact CD1-CD1 4.41Å; Y504-L520 HydrophobicContact CG-CD1 4.25Å
505K68.3Low79.4Confident149 Ų14972 Ų7265%0.64841%0.406SS*.G310 helixtrans-57.2-30.2-177-169.4166.5-173.9164.60113.8S502 G503 L507 T508S502-K505 WeakPolarHBondContact O-CB 3.17Å; S502-K505 PolarHBondContact O-N 3.29Å; G503-K505 VanDerWaalsContact C-N 3.27Å; G503-K505 PolarHBondContact O-N 3.34Å; K505-L507 VanDerWaalsContact C-N 3.25Å; K505-L507 PolarHBondContact O-N 2.78Å; K505-T508 WeakPolarHBondContact O-CB 3.11Å; K505-T508 WeakPolarHBondContact O-CG2 3.41Å; K505-T508 PolarHBondContact O-N 2.87Å; K505-T508 PolarHBondContact O-OG1 3.18Å
506S70.2Confident79.5Confident95 Ų9566.7 Ų66.766%0.66438%0.381SS*.G310 helixtrans-62.6-28.7175.3-57.80000113.6Y504 T508 S509Y504-S506 PolarHBondContact O-N 2.03Å; Y504-S506 VanDerWaalsContact O-N 3.13Å; S506-T508 PolarHBondContact O-N 3.3Å; S506-S509 PolarHBondContact O-OG 2.68Å
507L70.8Confident80.1Confident26 Ų2665.6 Ų65.614%0.13637%0.374CS..G310 helixtrans-76.7-7.8-177.9-53.5-178.8000113.5Y504 K505 S509 L510 F516 L553 L556Y504-L507 HydrophobicContact CD1-CD1 3.83Å; Y504-L507 WeakPolarHBondContact O-CB 3.47Å; Y504-L507 PolarHBondContact O-N 3.05Å; K505-L507 VanDerWaalsContact C-N 3.25Å; K505-L507 PolarHBondContact O-N 2.78Å; L507-S509 PolarHBondContact O-N 3.44Å; L507-L510 HydrophobicContact CB-CD1 4.28Å; L507-L510 HydrophobicContact CD2-CD1 3.87Å; L507-L510 WeakPolarHBondContact O-CB 3.2Å; L507-L510 PolarHBondContact O-N 3.24Å; L507-F516 HydrophobicContact CD1-CD1 4.05Å; L507-F516 HydrophobicContact CD1-CE1 3.51Å; L507-F516 HydrophobicContact CD1-CZ 4.24Å; L507-L553 HydrophobicContact CD1-CD2 4.14Å; L507-L553 HydrophobicContact CD2-CD2 4.17Å; L507-L556 HydrophobicContact CD2-CD1 3.96Å
508T74.4Confident80.5Confident74 Ų7470.7 Ų70.745%0.45439%0.394SS..G310 helixtrans-56.9-19.1172.455.60000113.6K505 S506 Y513K505-T508 WeakPolarHBondContact O-CB 3.11Å; K505-T508 WeakPolarHBondContact O-CG2 3.41Å; K505-T508 PolarHBondContact O-N 2.87Å; K505-T508 PolarHBondContact O-OG1 3.18Å; S506-T508 PolarHBondContact O-N 3.3Å; T508-Y513 HydrophobicContact CG2-CD2 4.45Å; T508-Y513 HydrophobicContact CG2-CE1 4.43Å; T508-Y513 HydrophobicContact CG2-CE2 3.77Å
509S76.6Confident80.6Confident99 Ų9967 Ų6769%0.69237%0.371SS*.G310 helixtrans-81.9-13.6177.461.50000114.9S506 L507S506-S509 PolarHBondContact O-OG 2.68Å; L507-S509 PolarHBondContact O-N 3.44Å
510L78.9Confident81Confident37 Ų3760 Ų6019%0.19434%0.339CS..SBendtrans-81143.2-174.6-65.5-179.9000112.4L507 C512 Y513 L556L507-L510 HydrophobicContact CB-CD1 4.28Å; L507-L510 HydrophobicContact CD2-CD1 3.87Å; L507-L510 WeakPolarHBondContact O-CB 3.2Å; L507-L510 PolarHBondContact O-N 3.24Å; L510-C512 PolarHBondContact O-N 2.96Å; L510-Y513 WeakPolarHBondContact O-CB 3.48Å; L510-Y513 PolarHBondContact O-N 2.88Å; L510-L556 HydrophobicContact CD1-CD1 4.35Å
511P82.2Confident81.6Confident139 Ų13957 Ų5790%0.90332%0.321SS*.THydrogen-bonded Turntrans-63.9-26.617926.4-34.9000113.1Y513P511-Y513 VanDerWaalsContact C-N 3.28Å; P511-Y513 PolarHBondContact O-N 3.43Å
512C86.3Confident81.8Confident14 Ų1456.6 Ų56.610%0.09532%0.318CS..THydrogen-bonded Turntrans-81.4-4.4177.280.90000113.8L510 Q514 N515 F516 Q548 C549L510-C512 PolarHBondContact O-N 2.96Å; C512-Q514 VanDerWaalsContact C-N 3.26Å; C512-Q514 PolarHBondContact O-N 3.29Å; C512-N515 PolarHBondContact O-N 3.21Å; C512-F516 PolarHBondContact O-N 2.98Å; C512-Q548 HydrophobicContact CB-CB 3.98Å; C512-Q548 WeakPolarHBondContact CB-O 3.46Å; C512-C549 HydrophobicContact CB-CB 4.05Å; C512-C549 WeakPolarHBondContact CB-SG 3.48Å; C512-C549 WeakPolarHBondContact SG-CA 3.48Å; C512-C549 WeakPolarHBondContact SG-CB 3.38Å; C512-C549 CovalentContact SG-SG 2.03Å; C512-C549 PolarHBondContact SG-SG 3.29Å
513Y86.9Confident82.1Confident35 Ų3554.7 Ų54.714%0.13730%0.302CS..Hα-helixtrans-49.9-39.9-168.8169.6-110.8000114.1M473 T508 L510 P511 N515 F516 R517M473-Y513 HydrophobicContact CE-CE2 3.55Å; M473-Y513 WeakPolarHBondContact CE-OH 3.25Å; T508-Y513 HydrophobicContact CG2-CD2 4.45Å; T508-Y513 HydrophobicContact CG2-CE1 4.43Å; T508-Y513 HydrophobicContact CG2-CE2 3.77Å; L510-Y513 WeakPolarHBondContact O-CB 3.48Å; L510-Y513 PolarHBondContact O-N 2.88Å; P511-Y513 VanDerWaalsContact C-N 3.28Å; P511-Y513 PolarHBondContact O-N 3.43Å; Y513-N515 VanDerWaalsContact C-N 3.26Å; Y513-N515 PolarHBondContact O-N 3.44Å; Y513-F516 PolarHBondContact O-N 2.78Å; Y513-R517 HydrophobicContact CE1-CB 4.48Å; Y513-R517 HydrophobicContact CE2-CB 4.23Å; Y513-R517 WeakPolarHBondContact O-CB 3.35Å; Y513-R517 PolarHBondContact O-N 2.76Å
514Q88.9Confident82.7Confident97 Ų9752.7 Ų52.745%0.45328%0.277SS..Hα-helixtrans-64.5-28.2-178.2-64.5-63.9-19.700113.4C512 R518C512-Q514 VanDerWaalsContact C-N 3.26Å; C512-Q514 PolarHBondContact O-N 3.29Å; Q514-R518 WeakPolarHBondContact O-CD 3.4Å; Q514-R518 VanDerWaalsContact O-CG 3.24Å; Q514-R518 WeakPolarHBondContact O-CG 3.33Å; Q514-R518 PolarHBondContact O-N 2.8Å
515N89.9Confident83.4Confident42 Ų4248.6 Ų48.623%0.22526%0.261CS..Hα-helixtrans-82.7-40176.7-64.2-7.3000110.7C512 Y513 R517 R518 L519 A545C512-N515 PolarHBondContact O-N 3.21Å; Y513-N515 VanDerWaalsContact C-N 3.26Å; Y513-N515 PolarHBondContact O-N 3.44Å; N515-R517 VanDerWaalsContact C-N 3.33Å; N515-R517 PolarHBondContact O-N 2.97Å; N515-R518 PolarHBondContact O-N 2.76Å; N515-L519 PolarHBondContact O-N 2.51Å; N515-A545 HydrophobicContact CB-CB 4.29Å
516F87.6Confident84Confident8 Ų841.5 Ų41.54%0.03523%0.231CC..Hα-helixtrans-60.1-43.2172.4-157.1-114.9000112.2Y504 L507 C512 Y513 R518 L519 L520 C549 L553 W560 F562Y504-F516 HydrophobicContact CD1-CE1 4.03Å; Y504-F516 HydrophobicContact CE1-CE1 4.49Å; L507-F516 HydrophobicContact CD1-CD1 4.05Å; L507-F516 HydrophobicContact CD1-CE1 3.51Å; L507-F516 HydrophobicContact CD1-CZ 4.24Å; C512-F516 PolarHBondContact O-N 2.98Å; Y513-F516 PolarHBondContact O-N 2.78Å; F516-R518 PolarHBondContact O-N 3.15Å; F516-L519 PolarHBondContact O-N 3.15Å; F516-L520 HydrophobicContact CD1-CD1 3.64Å; F516-L520 HydrophobicContact CD1-CG 4.14Å; F516-L520 HydrophobicContact CE1-CD1 3.5Å; F516-L520 HydrophobicContact CE1-CD2 4.47Å; F516-L520 HydrophobicContact CE1-CG 4.01Å; F516-L520 HydrophobicContact CZ-CD1 4.37Å; F516-L520 HydrophobicContact CZ-CG 4.48Å; F516-L520 WeakPolarHBondContact O-CB 3.45Å; F516-L520 PolarHBondContact O-N 2.87Å; F516-C549 HydrophobicContact CD2-CB 4.34Å; F516-L553 HydrophobicContact CD2-CD1 4.46Å; F516-L553 HydrophobicContact CE2-CD1 3.87Å; F516-L553 HydrophobicContact CZ-CD1 4.3Å; F516-W560 HydrophobicContact CD2-CH2 4.01Å; F516-W560 AromaticContact CD2-CZ3 3.79Å; F516-W560 HydrophobicContact CD2-CZ3 3.79Å; F516-W560 AromaticContact CE2-CH2 3.99Å; F516-W560 HydrophobicContact CE2-CH2 3.99Å; F516-W560 AromaticContact CE2-CZ3 3.59Å; F516-W560 HydrophobicContact CE2-CZ3 3.59Å; F516-F562 AromaticContact CE2-CE2 3.89Å; F516-F562 HydrophobicContact CE2-CE2 3.89Å; F516-F562 HydrophobicContact CZ-CE2 4.12Å
517R90.6Very high84.6Confident43 Ų4341.3 Ų41.316%0.16222%0.215CC..Hα-helixtrans-57.4-45.3174.5-178.8-171.5-175.6-137-9.4112.1M473 L475 Y513 N515 C521M473-R517 VanDerWaalsContact O-CZ 3.22Å; M473-R517 PolarHBondContact O-NE 2.85Å; M473-R517 PolarHBondContact O-NH2 3.49Å; L475-R517 PolarHBondContact O-NH2 3.5Å; Y513-R517 HydrophobicContact CE1-CB 4.48Å; Y513-R517 HydrophobicContact CE2-CB 4.23Å; Y513-R517 WeakPolarHBondContact O-CB 3.35Å; Y513-R517 PolarHBondContact O-N 2.76Å; N515-R517 VanDerWaalsContact C-N 3.33Å; N515-R517 PolarHBondContact O-N 2.97Å; R517-C521 VanDerWaalsContact O-CB 3.24Å; R517-C521 WeakPolarHBondContact O-CB 3.06Å; R517-C521 PolarHBondContact O-N 2.89Å; R517-C521 PolarHBondContact O-SG 3.16Å; R517-C521 VanDerWaalsContact O-SG 3.36Å
518R90.7Very high85.1Confident108 Ų10840.1 Ų40.141%0.40821%0.209SC..Hα-helixtrans-63.1-42.4176.1-73.4167.8-170.8-125.613.5112L477 Q514 N515 F516 G522 V541 P579L477-R518 HydrophobicContact CD2-CG 4.01Å; Q514-R518 WeakPolarHBondContact O-CD 3.4Å; Q514-R518 VanDerWaalsContact O-CG 3.24Å; Q514-R518 WeakPolarHBondContact O-CG 3.33Å; Q514-R518 PolarHBondContact O-N 2.8Å; N515-R518 PolarHBondContact O-N 2.76Å; F516-R518 PolarHBondContact O-N 3.15Å; R518-G522 PolarHBondContact O-N 3.46Å; R518-V541 HydrophobicContact CB-CG1 4.07Å; R518-P579 HydrophobicContact CB-CB 4Å; R518-P579 VanDerWaalsContact CD-O 3.27Å; R518-P579 WeakPolarHBondContact CD-O 3.45Å; R518-P579 HydrophobicContact CG-CB 4.14Å; R518-P579 WeakPolarHBondContact CG-O 3.32Å; R518-P579 PolarHBondContact NH1-O 3.46Å
519L88.8Confident85.1Confident0 Ų037.1 Ų37.10%019%0.191CC..Hα-helixtrans-64.1-53.8175.7179.460000111.4N515 F516 C521 G522 L523 P537 C542 A545 W560 F562 L567N515-L519 PolarHBondContact O-N 2.51Å; F516-L519 PolarHBondContact O-N 3.15Å; L519-C521 PolarHBondContact O-N 2.84Å; L519-G522 PolarHBondContact O-N 2.79Å; L519-L523 HydrophobicContact CD1-CD1 3.85Å; L519-L523 HydrophobicContact CD1-CG 4.09Å; L519-L523 HydrophobicContact CG-CD1 3.96Å; L519-L523 WeakPolarHBondContact O-CG 3.45Å; L519-L523 PolarHBondContact O-N 3.47Å; L519-P537 HydrophobicContact CD1-CG 4.26Å; L519-C542 HydrophobicContact CD1-CB 3.65Å; L519-C542 HydrophobicContact CD2-CB 4.31Å; L519-A545 HydrophobicContact CB-CB 3.97Å; L519-A545 HydrophobicContact CD2-CB 3.94Å; L519-W560 HydrophobicContact CD2-CH2 3.73Å; L519-W560 HydrophobicContact CD2-CZ2 3.69Å; L519-F562 HydrophobicContact CD2-CB 4.43Å; L519-F562 HydrophobicContact CD2-CD2 3.59Å; L519-F562 HydrophobicContact CD2-CE2 4.01Å; L519-F562 HydrophobicContact CD2-CG 4.07Å; L519-L567 HydrophobicContact CD1-CD1 4.4Å
520L88.7Confident84.5Confident4 Ų438.8 Ų38.82%0.02120%0.2CC..Hα-helixtrans-58.3-47.9-179.9-76.4-179.3000112.2L501 Y504 F516 L523 L524 F562L501-L520 HydrophobicContact CD2-CB 4.33Å; L501-L520 HydrophobicContact CD2-CD1 3.94Å; Y504-L520 HydrophobicContact CD1-CD1 4.41Å; Y504-L520 HydrophobicContact CG-CD1 4.25Å; F516-L520 HydrophobicContact CD1-CD1 3.64Å; F516-L520 HydrophobicContact CD1-CG 4.14Å; F516-L520 HydrophobicContact CE1-CD1 3.5Å; F516-L520 HydrophobicContact CE1-CD2 4.47Å; F516-L520 HydrophobicContact CE1-CG 4.01Å; F516-L520 HydrophobicContact CZ-CD1 4.37Å; F516-L520 HydrophobicContact CZ-CG 4.48Å; F516-L520 WeakPolarHBondContact O-CB 3.45Å; F516-L520 PolarHBondContact O-N 2.87Å; L520-L523 PolarHBondContact O-N 3.14Å; L520-L524 HydrophobicContact CD2-CD1 4.42Å; L520-L524 WeakPolarHBondContact O-CB 3.22Å; L520-L524 WeakPolarHBondContact O-CG 3.32Å; L520-L524 PolarHBondContact O-N 3.3Å; L520-F562 HydrophobicContact CD2-CE2 4.47Å; L520-F562 HydrophobicContact CD2-CZ 3.9Å
521C91Very high83.5Confident0 Ų043.3 Ų43.30%022%0.223CC..Hα-helixtrans-67.5-36178.1-70.90000112.5C474 L477 Y479 R517 L519 L523 V525C474-C521 WeakPolarHBondContact CA-SG 3.12Å; C474-C521 HydrophobicContact CB-CB 3.7Å; C474-C521 WeakPolarHBondContact CB-SG 3.03Å; C474-C521 VanDerWaalsContact SG-CA 3.55Å; C474-C521 WeakPolarHBondContact SG-CB 3.09Å; C474-C521 CovalentContact SG-SG 2.04Å; C474-C521 PolarHBondContact SG-SG 2.95Å; L477-C521 HydrophobicContact CD1-CB 3.36Å; Y479-C521 PolarHBondContact OH-O 3.3Å; Y479-C521 VanDerWaalsContact OH-O 3.11Å; R517-C521 VanDerWaalsContact O-CB 3.24Å; R517-C521 WeakPolarHBondContact O-CB 3.06Å; R517-C521 PolarHBondContact O-N 2.89Å; R517-C521 PolarHBondContact O-SG 3.16Å; R517-C521 VanDerWaalsContact O-SG 3.36Å; L519-C521 PolarHBondContact O-N 2.84Å; C521-L523 VanDerWaalsContact C-N 3.32Å; C521-L523 PolarHBondContact O-N 3.2Å; C521-V525 CarbonylContact O-C 3.58Å; C521-V525 VanDerWaalsContact O-CA 3.28Å; C521-V525 WeakPolarHBondContact O-CA 3.16Å; C521-V525 PolarHBondContact O-N 2.83Å
522G85.6Confident82.2Confident0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-63.3-36.4173.500000113.2R518 L519 P526 P537R518-G522 PolarHBondContact O-N 3.46Å; L519-G522 PolarHBondContact O-N 2.79Å; G522-P526 WeakPolarHBondContact O-CA 3.45Å; G522-P526 WeakPolarHBondContact O-CB 3.26Å; G522-P537 WeakPolarHBondContact O-CD 3.4Å
523L82.5Confident80.8Confident35 Ų3539.9 Ų39.918%0.18321%0.206CC..Hα-helixtrans-78.6-46177.8-68.5171.8000112.9N486 L519 L520 C521 P537 F562 L567N486-L523 PolarHBondContact ND2-O 2.86Å; L519-L523 HydrophobicContact CD1-CD1 3.85Å; L519-L523 HydrophobicContact CD1-CG 4.09Å; L519-L523 HydrophobicContact CG-CD1 3.96Å; L519-L523 WeakPolarHBondContact O-CG 3.45Å; L519-L523 PolarHBondContact O-N 3.47Å; L520-L523 PolarHBondContact O-N 3.14Å; C521-L523 VanDerWaalsContact C-N 3.32Å; C521-L523 PolarHBondContact O-N 3.2Å; L523-P537 HydrophobicContact CD2-CG 3.75Å; L523-P537 HydrophobicContact CG-CG 3.95Å; L523-F562 HydrophobicContact CD1-CD1 3.96Å; L523-F562 HydrophobicContact CD1-CE1 3.77Å; L523-F562 HydrophobicContact CD1-CZ 4.34Å; L523-L567 HydrophobicContact CD2-CD2 4.18Å
524L83.9Confident79.9Confident15 Ų1539.6 Ų39.68%0.07921%0.208CC..Hα-helixtrans-93.9-22.9-170.1-57.5178000113.6F484 N486 V489 M491 V497 L501 L520F484-L524 WeakPolarHBondContact CZ-O 3.4Å; N486-L524 WeakPolarHBondContact ND2-CA 3.42Å; N486-L524 PolarHBondContact ND2-O 3.03Å; V489-L524 HydrophobicContact CB-CD2 4.27Å; V489-L524 HydrophobicContact CG1-CD2 4.1Å; V489-L524 HydrophobicContact CG2-CD2 4.02Å; M491-L524 HydrophobicContact CE-CD2 3.96Å; M491-L524 HydrophobicContact SD-CD2 4.03Å; V497-L524 HydrophobicContact CG1-CB 3.71Å; V497-L524 HydrophobicContact CG1-CD1 4.36Å; V497-L524 HydrophobicContact CG2-CB 4.38Å; V497-L524 WeakPolarHBondContact CG2-O 3.44Å; L501-L524 HydrophobicContact CD1-CD1 4.48Å; L501-L524 HydrophobicContact CD2-CD1 3.65Å; L501-L524 HydrophobicContact CG-CD1 3.95Å; L520-L524 HydrophobicContact CD2-CD1 4.42Å; L520-L524 WeakPolarHBondContact O-CB 3.22Å; L520-L524 WeakPolarHBondContact O-CG 3.32Å; L520-L524 PolarHBondContact O-N 3.3Å
525V88.3Confident79.1Confident0 Ų035.6 Ų35.60%019%0.19CC..SBendtrans-135.162.8178.1-165.70000109.3V469 V471 C474 Y479 T482 F484 V497 C521V469-V525 HydrophobicContact CG1-CG1 4.07Å; V469-V525 HydrophobicContact CG2-CG1 3.9Å; V471-V525 HydrophobicContact CB-CG2 4.07Å; V471-V525 HydrophobicContact CG1-CG2 4.33Å; V471-V525 HydrophobicContact CG2-CG2 3.75Å; C474-V525 HydrophobicContact CB-CB 4.49Å; C474-V525 HydrophobicContact CB-CG2 4.43Å; Y479-V525 WeakPolarHBondContact CE2-O 3.25Å; Y479-V525 VanDerWaalsContact CZ-O 3.31Å; Y479-V525 PolarHBondContact OH-O 3.5Å; T482-V525 HydrophobicContact CG2-CG1 3.96Å; F484-V525 HydrophobicContact CE2-CG1 4.41Å; V497-V525 HydrophobicContact CG1-CG2 3.72Å; C521-V525 CarbonylContact O-C 3.58Å; C521-V525 VanDerWaalsContact O-CA 3.28Å; C521-V525 WeakPolarHBondContact O-CA 3.16Å; C521-V525 PolarHBondContact O-N 2.83Å
526P82.3Confident78.4Confident1 Ų134.8 Ų34.81%0.00619%0.187CC..PPolyproline II helixtrans-66.5151.6-168.428.6-37.9000113T482 N486 W488 G522 C528 V534T482-P526 WeakPolarHBondContact CA-O 3.4Å; T482-P526 PolarHBondContact OG1-O 3.48Å; T482-P526 VanDerWaalsContact OG1-O 3.12Å; N486-P526 WeakPolarHBondContact ND2-CD 3.34Å; W488-P526 HydrophobicContact CE3-CB 4.36Å; W488-P526 HydrophobicContact CE3-CG 4.07Å; W488-P526 HydrophobicContact CZ3-CB 3.94Å; W488-P526 HydrophobicContact CZ3-CG 3.78Å; G522-P526 WeakPolarHBondContact O-CA 3.45Å; G522-P526 WeakPolarHBondContact O-CB 3.26Å; P526-C528 PolarHBondContact O-N 3.35Å; P526-V534 HydrophobicContact CB-CG1 3.75Å; P526-V534 HydrophobicContact CG-CG1 3.58Å
527R82.6Confident78.1Confident90 Ų9034.4 Ų34.434%0.3419%0.185SC..EExtended strand (participates in β ladder)trans-70.9120.8-173173.4179.3173.2163.8-6.4112Y479 V534 L535Y479-R527 HydrophobicContact CD1-CB 4.04Å; Y479-R527 HydrophobicContact CD1-CG 4.36Å; Y479-R527 HydrophobicContact CD2-CB 3.77Å; Y479-R527 HydrophobicContact CD2-CG 4.08Å; Y479-R527 HydrophobicContact CE1-CB 4.35Å; Y479-R527 HydrophobicContact CE2-CB 4.07Å; Y479-R527 HydrophobicContact CG-CB 3.75Å; Y479-R527 HydrophobicContact CG-CG 3.8Å; R527-V534 CarbonylContact O-C 3.59Å; R527-V534 WeakPolarHBondContact O-CA 3.29Å; R527-L535 HydrophobicContact CB-CB 4.48Å; R527-L535 PolarHBondContact N-O 2.94Å; R527-L535 PolarHBondContact O-N 3.15Å
528C80.5Confident77.8Confident1 Ų132.4 Ų32.41%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-87.9133.5169.3-171.50000111.4C466 T481 T482 A483 P526 S533 V534C466-C528 WeakPolarHBondContact CA-SG 3.42Å; C466-C528 HydrophobicContact CB-CB 3.71Å; C466-C528 WeakPolarHBondContact CB-SG 3.35Å; C466-C528 WeakPolarHBondContact SG-CB 3.19Å; C466-C528 CovalentContact SG-SG 2.03Å; C466-C528 PolarHBondContact SG-SG 3.13Å; T481-C528 PolarHBondContact O-N 3.47Å; T481-C528 PolarHBondContact OG1-O 2.84Å; T482-C528 WeakPolarHBondContact O-CB 3.15Å; A483-C528 HydrophobicContact CB-CB 4.16Å; P526-C528 PolarHBondContact O-N 3.35Å; C528-S533 CarbonylContact C-O 3.55Å; C528-S533 WeakPolarHBondContact CA-O 3.48Å; C528-V534 HydrophobicContact CB-CG2 4.46Å
529T73.9Confident77.5Confident11 Ų1130.2 Ų30.27%0.06717%0.17CC..PPolyproline II helixtrans-90.4159.8179.173.40000111.7C466 L531 G532 S533 L535C466-T529 PolarHBondContact SG-O 3.26Å; T529-L531 PolarHBondContact O-N 3.13Å; T529-L531 PolarHBondContact OG1-N 3.31Å; T529-G532 PolarHBondContact O-N 3.18Å; T529-S533 WeakPolarHBondContact CG2-O 3.34Å; T529-S533 PolarHBondContact N-O 2.74Å; T529-S533 WeakPolarHBondContact OG1-CB 3.29Å; T529-S533 PolarHBondContact OG1-N 3.26Å; T529-S533 PolarHBondContact OG1-O 3.23Å; T529-L535 HydrophobicContact CG2-CD1 3.56Å; T529-L535 HydrophobicContact CG2-CD2 4.47Å; T529-L535 HydrophobicContact CG2-CG 3.81Å
530P65.5Low77.5Confident135 Ų13532.8 Ų32.888%0.87719%0.188SC*.THydrogen-bonded Turntrans-60.4-1173.7-24.135.4000116.2
531L57.3Low77.5Confident132 Ų13233.5 Ų33.569%0.69119%0.192SC*.THydrogen-bonded Turntrans-104.88.3174.8-60.9174.8000112.5T529 S533T529-L531 PolarHBondContact O-N 3.13Å; T529-L531 PolarHBondContact OG1-N 3.31Å; L531-S533 PolarHBondContact O-N 3.26Å
532G55.1Low77.3Confident23 Ų2333.5 Ų33.524%0.23719%0.192CC..SBendtrans77.12.2-177.200000114.6T529T529-G532 PolarHBondContact O-N 3.18Å
533S57.2Low77.5Confident57 Ų5737.7 Ų37.740%0.39921%0.212SC..  trans-80.4136.7177.8-31.70000110.3C528 T529 L531C528-S533 CarbonylContact C-O 3.55Å; C528-S533 WeakPolarHBondContact CA-O 3.48Å; T529-S533 WeakPolarHBondContact CG2-O 3.34Å; T529-S533 PolarHBondContact N-O 2.74Å; T529-S533 WeakPolarHBondContact OG1-CB 3.29Å; T529-S533 PolarHBondContact OG1-N 3.26Å; T529-S533 PolarHBondContact OG1-O 3.23Å; L531-S533 PolarHBondContact O-N 3.26Å
534V67.8Low77.9Confident30 Ų3040.2 Ų40.218%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-105.2139.5179.1-165.30000109.6A483 W488 P526 R527 C528A483-V534 HydrophobicContact CB-CG2 3.87Å; W488-V534 HydrophobicContact CH2-CB 3.86Å; W488-V534 HydrophobicContact CH2-CG1 4.04Å; W488-V534 WeakPolarHBondContact CH2-O 3.27Å; W488-V534 HydrophobicContact CZ3-CB 4.06Å; W488-V534 HydrophobicContact CZ3-CG1 3.74Å; P526-V534 HydrophobicContact CB-CG1 3.75Å; P526-V534 HydrophobicContact CG-CG1 3.58Å; R527-V534 CarbonylContact O-C 3.59Å; R527-V534 WeakPolarHBondContact O-CA 3.29Å; C528-V534 HydrophobicContact CB-CG2 4.46Å
535L72.4Confident78.2Confident12 Ų1239.5 Ų39.56%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-122.2111.1-167.7-61.9-176.4000113.2R527 T529 E574 S577R527-L535 HydrophobicContact CB-CB 4.48Å; R527-L535 PolarHBondContact N-O 2.94Å; R527-L535 PolarHBondContact O-N 3.15Å; T529-L535 HydrophobicContact CG2-CD1 3.56Å; T529-L535 HydrophobicContact CG2-CD2 4.47Å; T529-L535 HydrophobicContact CG2-CG 3.81Å; L535-E574 WeakPolarHBondContact CD2-O 3.35Å; L535-S577 PolarHBondContact O-OG 2.87Å
536P74.4Confident78.1Confident25 Ų2542.1 Ų42.116%0.16223%0.231CC..PPolyproline II helixtrans-66.5163.1174.130.4-35.9000111.3W488 P568 C576 S577W488-P536 HydrophobicContact CZ2-CG 4.43Å; P536-P568 HydrophobicContact CG-CG 4.25Å; P536-C576 CarbonylContact O-C 3.55Å; P536-C576 WeakPolarHBondContact O-CA 3.39Å; P536-C576 WeakPolarHBondContact O-CB 3.25Å; P536-S577 PolarHBondContact O-N 2.84Å; P536-S577 PolarHBondContact O-OG 3.4Å
537P80.4Confident78.5Confident0 Ų048.6 Ų48.60%026%0.261CS..BIsolated β-bridgetrans-73.8142.1-175.328.9-29000110.9L519 G522 L523 V541 L567 S577L519-P537 HydrophobicContact CD1-CG 4.26Å; G522-P537 WeakPolarHBondContact O-CD 3.4Å; L523-P537 HydrophobicContact CD2-CG 3.75Å; L523-P537 HydrophobicContact CG-CG 3.95Å; P537-V541 HydrophobicContact CB-CB 4.4Å; P537-L567 HydrophobicContact CG-CD1 4.22Å; P537-L567 HydrophobicContact CG-CD2 4.28Å; P537-S577 WeakPolarHBondContact CA-O 3.37Å
538C84.9Confident78.7Confident2 Ų248.5 Ų48.51%0.01426%0.264CS..PPolyproline II helixtrans-62.6147.9177.3-57.90000111.7S540 V541 C576 S577 Q578C538-S540 PolarHBondContact O-N 2.82Å; C538-V541 HydrophobicContact CB-CG2 4.28Å; C538-V541 WeakPolarHBondContact O-CB 3.4Å; C538-V541 PolarHBondContact O-N 2.84Å; C538-C576 WeakPolarHBondContact CA-SG 3.29Å; C538-C576 HydrophobicContact CB-CB 3.9Å; C538-C576 WeakPolarHBondContact CB-SG 3.38Å; C538-C576 VanDerWaalsContact SG-C 3.57Å; C538-C576 WeakPolarHBondContact SG-CB 3.35Å; C538-C576 CovalentContact SG-SG 2.03Å; C538-C576 PolarHBondContact SG-SG 2.96Å; C538-S577 PolarHBondContact N-O 3.45Å; C538-S577 PolarHBondContact SG-O 2.84Å; C538-Q578 HydrophobicContact CB-CG 4.1Å; C538-Q578 VanDerWaalsContact SG-CG 3.54Å
539R84.1Confident79Confident62 Ų6248.5 Ų48.523%0.23426%0.264CS..Hα-helixtrans-43.5-40.9173.1-178.6175-63.6179.5-8.4113.7V541 C542 Q543 N565 L567 P568 E569R539-V541 PolarHBondContact O-N 3.09Å; R539-C542 PolarHBondContact O-N 2.95Å; R539-Q543 HydrophobicContact CG-CG 4.39Å; R539-Q543 WeakPolarHBondContact O-CG 3.34Å; R539-Q543 PolarHBondContact O-N 3.43Å; R539-N565 PolarHBondContact NH2-O 3.39Å; R539-L567 HydrophobicContact CB-CB 4.3Å; R539-L567 PolarHBondContact NE-O 3.32Å; R539-L567 PolarHBondContact NH2-O 2.83Å; R539-L567 VanDerWaalsContact NH2-O 3.1Å; R539-P568 WeakPolarHBondContact CB-O 3.48Å; R539-P568 PolarHBondContact N-O 3.37Å; R539-E569 HydrophobicContact CB-CG 4.39Å; R539-E569 IonicContact CZ-OE1 3.64Å; R539-E569 IonicContact NE-OE1 3.98Å; R539-E569 IonicContact NH1-OE1 2.7Å; R539-E569 PolarHBondContact NH1-OE1 3.46Å
540S89.2Confident79.4Confident54 Ų5452.1 Ų52.138%0.37828%0.28SS..Hα-helixtrans-61.9-34.9177.2510000114.2C538 E544C538-S540 PolarHBondContact O-N 2.82Å; S540-E544 WeakPolarHBondContact O-CB 3.3Å; S540-E544 PolarHBondContact O-N 3Å
541V89.1Confident80.1Confident18 Ų1849.5 Ų49.511%0.10927%0.265CS..Hα-helixtrans-66.2-42177.1-175.80000110R518 P537 C538 R539 A545 Q578R518-V541 HydrophobicContact CB-CG1 4.07Å; P537-V541 HydrophobicContact CB-CB 4.4Å; C538-V541 HydrophobicContact CB-CG2 4.28Å; C538-V541 WeakPolarHBondContact O-CB 3.4Å; C538-V541 PolarHBondContact O-N 2.84Å; R539-V541 PolarHBondContact O-N 3.09Å; V541-A545 WeakPolarHBondContact O-CB 3.34Å; V541-A545 PolarHBondContact O-N 2.92Å; V541-A545 VanDerWaalsContact O-N 3.07Å; V541-Q578 HydrophobicContact CG2-CB 4.35Å; V541-Q578 HydrophobicContact CG2-CG 4.14Å
542C85.6Confident81.1Confident1 Ų144.2 Ų44.21%0.00724%0.243CC..Hα-helixtrans-69.1-44.7177-174.30000111.9L519 R539 E544 A545 E546 C564 L567L519-C542 HydrophobicContact CD1-CB 3.65Å; L519-C542 HydrophobicContact CD2-CB 4.31Å; R539-C542 PolarHBondContact O-N 2.95Å; C542-E544 PolarHBondContact O-N 3.45Å; C542-A545 PolarHBondContact O-N 3.25Å; C542-E546 WeakPolarHBondContact O-CB 3.34Å; C542-E546 PolarHBondContact O-N 3.32Å; C542-C564 HydrophobicContact CB-CB 3.6Å; C542-C564 WeakPolarHBondContact CB-SG 3.44Å; C542-C564 PolarHBondContact O-SG 2.91Å; C542-C564 WeakPolarHBondContact SG-CA 3.47Å; C542-C564 WeakPolarHBondContact SG-CB 3.29Å; C542-C564 CovalentContact SG-SG 2.04Å; C542-C564 PolarHBondContact SG-SG 3.26Å; C542-L567 HydrophobicContact CB-CD1 3.47Å; C542-L567 VanDerWaalsContact CB-CD1 3.47Å
543Q89.6Confident81.9Confident88 Ų8843.6 Ų43.641%0.41123%0.234SC..Hα-helixtrans-63.5-38.4178.3-73.3172-28.800112.7R539 E546 H547 C564R539-Q543 HydrophobicContact CG-CG 4.39Å; R539-Q543 WeakPolarHBondContact O-CG 3.34Å; R539-Q543 PolarHBondContact O-N 3.43Å; Q543-E546 PolarHBondContact O-N 3.37Å; Q543-H547 VanDerWaalsContact O-CB 3.31Å; Q543-H547 WeakPolarHBondContact O-CB 3.44Å; Q543-H547 PolarHBondContact O-N 3.04Å; Q543-C564 HydrophobicContact CG-CB 3.99Å
544E91.4Very high82.8Confident88 Ų8843.8 Ų43.841%0.41124%0.239SC..Hα-helixtrans-69.5-37.5174.2-175.861.3-141.600111.6S540 C542 Q548S540-E544 WeakPolarHBondContact O-CB 3.3Å; S540-E544 PolarHBondContact O-N 3Å; C542-E544 PolarHBondContact O-N 3.45Å; E544-Q548 WeakPolarHBondContact O-CB 3.42Å; E544-Q548 WeakPolarHBondContact O-CG 3.34Å; E544-Q548 PolarHBondContact O-N 2.88Å; E544-Q548 WeakPolarHBondContact OE1-CG 3.3Å; E544-Q548 PolarHBondContact OE1-NE2 2.93Å
545A89.8Confident83Confident0 Ų049.8 Ų49.80%027%0.269CS..Hα-helixtrans-66.8-40173.100000112.1N515 L519 V541 C542 C549 W560N515-A545 HydrophobicContact CB-CB 4.29Å; L519-A545 HydrophobicContact CB-CB 3.97Å; L519-A545 HydrophobicContact CD2-CB 3.94Å; V541-A545 WeakPolarHBondContact O-CB 3.34Å; V541-A545 PolarHBondContact O-N 2.92Å; V541-A545 VanDerWaalsContact O-N 3.07Å; C542-A545 PolarHBondContact O-N 3.25Å; A545-C549 WeakPolarHBondContact O-CB 3.44Å; A545-C549 PolarHBondContact O-N 3.49Å; A545-W560 VanDerWaalsContact C-CH2 3.49Å; A545-W560 HydrophobicContact CB-CH2 3.84Å; A545-W560 HydrophobicContact CB-CZ2 4.41Å
546E87.3Confident82.8Confident55 Ų5554.2 Ų54.226%0.25729%0.292SS..Hα-helixtrans-60.4-57174.9-178.3170.1-165.900110.5C542 Q543 Q548 C549 Q550 W560C542-E546 WeakPolarHBondContact O-CB 3.34Å; C542-E546 PolarHBondContact O-N 3.32Å; Q543-E546 PolarHBondContact O-N 3.37Å; E546-Q548 PolarHBondContact O-N 2.91Å; E546-Q548 VanDerWaalsContact O-N 3.16Å; E546-C549 PolarHBondContact O-N 2.93Å; E546-Q550 HydrophobicContact CG-CB 4.36Å; E546-Q550 WeakPolarHBondContact O-CB 3.21Å; E546-Q550 PolarHBondContact O-N 3.4Å; E546-Q550 PolarHBondContact OE1-NE2 3.46Å; E546-W560 VanDerWaalsContact CA-CZ2 3.47Å; E546-W560 HydrophobicContact CB-CD2 4.1Å; E546-W560 VanDerWaalsContact CB-CE2 3.48Å; E546-W560 HydrophobicContact CB-CH2 4.3Å; E546-W560 HydrophobicContact CB-CZ2 3.6Å; E546-W560 VanDerWaalsContact CD-CD1 3.49Å; E546-W560 HydrophobicContact CG-CD2 3.99Å; E546-W560 HydrophobicContact CG-CG 3.95Å; E546-W560 HydrophobicContact CG-CZ2 4.36Å
547H90Very high82.4Confident137 Ų13756.3 Ų56.363%0.63432%0.318SS*.Hα-helixtrans-54.7-37.4-178.9178.7-103000113Q543Q543-H547 VanDerWaalsContact O-CB 3.31Å; Q543-H547 WeakPolarHBondContact O-CB 3.44Å; Q543-H547 PolarHBondContact O-N 3.04Å
548Q88Confident81.6Confident87 Ų8759.3 Ų59.341%0.40734%0.337SS..Hα-helixtrans-90.5-25.7-176-57.8-72.3-7.100113.8C512 E544 E546C512-Q548 HydrophobicContact CB-CB 3.98Å; C512-Q548 WeakPolarHBondContact CB-O 3.46Å; E544-Q548 WeakPolarHBondContact O-CB 3.42Å; E544-Q548 WeakPolarHBondContact O-CG 3.34Å; E544-Q548 PolarHBondContact O-N 2.88Å; E544-Q548 WeakPolarHBondContact OE1-CG 3.3Å; E544-Q548 PolarHBondContact OE1-NE2 2.93Å; E546-Q548 PolarHBondContact O-N 2.91Å; E546-Q548 VanDerWaalsContact O-N 3.16Å
549C85.5Confident81Confident1 Ų164.4 Ų64.41%0.00737%0.37CS..Hα-helixtrans-110.2-23.1-176-67.70000115.8C512 F516 A545 E546 S551 G552 L553 W560C512-C549 HydrophobicContact CB-CB 4.05Å; C512-C549 WeakPolarHBondContact CB-SG 3.48Å; C512-C549 WeakPolarHBondContact SG-CA 3.48Å; C512-C549 WeakPolarHBondContact SG-CB 3.38Å; C512-C549 CovalentContact SG-SG 2.03Å; C512-C549 PolarHBondContact SG-SG 3.29Å; F516-C549 HydrophobicContact CD2-CB 4.34Å; A545-C549 WeakPolarHBondContact O-CB 3.44Å; A545-C549 PolarHBondContact O-N 3.49Å; E546-C549 PolarHBondContact O-N 2.93Å; C549-S551 VanDerWaalsContact C-N 3.26Å; C549-S551 PolarHBondContact O-N 2.92Å; C549-G552 PolarHBondContact O-N 2.99Å; C549-L553 HydrophobicContact CB-CD1 4Å; C549-L553 HydrophobicContact CB-CG 4.47Å; C549-L553 WeakPolarHBondContact O-CB 3.25Å; C549-L553 WeakPolarHBondContact O-CG 3.38Å; C549-L553 PolarHBondContact O-N 2.78Å; C549-W560 HydrophobicContact CB-CZ3 3.95Å
550Q82.7Confident80.6Confident88 Ų8863 Ų6341%0.41136%0.364SS..Hα-helixtrans-54.6-40.5-174.7175.7177.186.100112.6E546 A554 W560E546-Q550 HydrophobicContact CG-CB 4.36Å; E546-Q550 WeakPolarHBondContact O-CB 3.21Å; E546-Q550 PolarHBondContact O-N 3.4Å; E546-Q550 PolarHBondContact OE1-NE2 3.46Å; Q550-A554 VanDerWaalsContact O-CB 3.25Å; Q550-A554 WeakPolarHBondContact O-CB 3.38Å; Q550-A554 PolarHBondContact O-N 2.94Å; Q550-W560 HydrophobicContact CB-CB 4.38Å; Q550-W560 HydrophobicContact CG-CB 4.08Å
551S81Confident79.5Confident80 Ų8064.8 Ų64.856%0.55938%0.375SS*.Hα-helixtrans-70-38.4176.556.20000113.4C549 L555C549-S551 VanDerWaalsContact C-N 3.26Å; C549-S551 PolarHBondContact O-N 2.92Å; S551-L555 WeakPolarHBondContact O-CG 3.3Å; S551-L555 PolarHBondContact O-N 3.48Å
552G77.6Confident78.6Confident21 Ų2166.3 Ų66.322%0.21638%0.38CS..Hα-helixtrans-70-37.6176.600000113.1C549 L556C549-G552 PolarHBondContact O-N 2.99Å; G552-L556 PolarHBondContact O-N 3.48Å
553L72.6Confident78.1Confident10 Ų1070.9 Ų70.95%0.05240%0.404CS..Hα-helixtrans-72.1-38.5175.4-71.3167.7000111.6L507 F516 C549 L555 L556 G557 T558 W560L507-L553 HydrophobicContact CD1-CD2 4.14Å; L507-L553 HydrophobicContact CD2-CD2 4.17Å; F516-L553 HydrophobicContact CD2-CD1 4.46Å; F516-L553 HydrophobicContact CE2-CD1 3.87Å; F516-L553 HydrophobicContact CZ-CD1 4.3Å; C549-L553 HydrophobicContact CB-CD1 4Å; C549-L553 HydrophobicContact CB-CG 4.47Å; C549-L553 WeakPolarHBondContact O-CB 3.25Å; C549-L553 WeakPolarHBondContact O-CG 3.38Å; C549-L553 PolarHBondContact O-N 2.78Å; L553-L555 VanDerWaalsContact C-N 3.29Å; L553-L555 PolarHBondContact O-N 3.41Å; L553-L556 CarbonylContact O-C 3.57Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 WeakPolarHBondContact O-CB 3.34Å; L553-L556 PolarHBondContact O-N 3.02Å; L553-G557 PolarHBondContact O-N 3.38Å; L553-T558 CarbonylContact C-O 3.46Å; L553-T558 WeakPolarHBondContact CB-OG1 3.26Å; L553-T558 PolarHBondContact O-N 3.29Å; L553-T558 PolarHBondContact O-OG1 3.28Å; L553-W560 HydrophobicContact CD1-CE3 3.73Å; L553-W560 HydrophobicContact CD1-CZ3 3.83Å
554A75.3Confident77.3Confident60 Ų6066.9 Ų66.950%0.49639%0.386SS..Hα-helixtrans-62.7-34.5174.200000112.6Q550 L556 G557 T558Q550-A554 VanDerWaalsContact O-CB 3.25Å; Q550-A554 WeakPolarHBondContact O-CB 3.38Å; Q550-A554 PolarHBondContact O-N 2.94Å; A554-L556 PolarHBondContact O-N 3.31Å; A554-G557 PolarHBondContact O-N 2.94Å; A554-T558 PolarHBondContact N-O 2.98Å
555L72.6Confident76.4Confident156 Ų15667.8 Ų67.882%0.81739%0.393SS*.THydrogen-bonded Turntrans-67-19.1172.3-74.8168000113.7S551 L553S551-L555 WeakPolarHBondContact O-CG 3.3Å; S551-L555 PolarHBondContact O-N 3.48Å; L553-L555 VanDerWaalsContact C-N 3.29Å; L553-L555 PolarHBondContact O-N 3.41Å
556L68.7Low75Confident106 Ų10677.7 Ų77.756%0.55543%0.431SS*.THydrogen-bonded Turntrans-94.89.4172-62.5172.7000112.5L507 L510 G552 L553 A554 T558L507-L556 HydrophobicContact CD2-CD1 3.96Å; L510-L556 HydrophobicContact CD1-CD1 4.35Å; G552-L556 PolarHBondContact O-N 3.48Å; L553-L556 CarbonylContact O-C 3.57Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 WeakPolarHBondContact O-CB 3.34Å; L553-L556 PolarHBondContact O-N 3.02Å; A554-L556 PolarHBondContact O-N 3.31Å; L556-T558 VanDerWaalsContact C-N 3.27Å; L556-T558 PolarHBondContact O-N 3.48Å
557G66.1Low74Confident68 Ų6876.2 Ų76.270%0.70142%0.424SS*.THydrogen-bonded Turntrans79.91-178.700000114.8L553 A554L553-G557 PolarHBondContact O-N 3.38Å; A554-G557 PolarHBondContact O-N 2.94Å
558T62.8Low72.7Confident64 Ų6471.9 Ų71.939%0.39341%0.408SS..PPolyproline II helixtrans-100.1117.9-175.850.30000111.7L553 A554 L556L553-T558 CarbonylContact C-O 3.46Å; L553-T558 WeakPolarHBondContact CB-OG1 3.26Å; L553-T558 PolarHBondContact O-N 3.29Å; L553-T558 PolarHBondContact O-OG1 3.28Å; A554-T558 PolarHBondContact N-O 2.98Å; L556-T558 VanDerWaalsContact C-N 3.27Å; L556-T558 PolarHBondContact O-N 3.48Å
559P71.8Confident72Confident109 Ų10973.4 Ų73.471%0.70842%0.416SS*.PPolyproline II helixtrans-68.6158170.830.4-34.2000110.7P561P559-P561 WeakPolarHBondContact O-CD 3.31Å
560W75.7Confident71.2Confident33 Ų3376.2 Ų76.213%0.12544%0.439CS..PPolyproline II helixtrans-67.1120.8177.9-179.9-106.8000111F516 L519 A545 E546 C549 Q550 L553 F562F516-W560 HydrophobicContact CD2-CH2 4.01Å; F516-W560 AromaticContact CD2-CZ3 3.79Å; F516-W560 HydrophobicContact CD2-CZ3 3.79Å; F516-W560 AromaticContact CE2-CH2 3.99Å; F516-W560 HydrophobicContact CE2-CH2 3.99Å; F516-W560 AromaticContact CE2-CZ3 3.59Å; F516-W560 HydrophobicContact CE2-CZ3 3.59Å; L519-W560 HydrophobicContact CD2-CH2 3.73Å; L519-W560 HydrophobicContact CD2-CZ2 3.69Å; A545-W560 VanDerWaalsContact C-CH2 3.49Å; A545-W560 HydrophobicContact CB-CH2 3.84Å; A545-W560 HydrophobicContact CB-CZ2 4.41Å; E546-W560 VanDerWaalsContact CA-CZ2 3.47Å; E546-W560 HydrophobicContact CB-CD2 4.1Å; E546-W560 VanDerWaalsContact CB-CE2 3.48Å; E546-W560 HydrophobicContact CB-CH2 4.3Å; E546-W560 HydrophobicContact CB-CZ2 3.6Å; E546-W560 VanDerWaalsContact CD-CD1 3.49Å; E546-W560 HydrophobicContact CG-CD2 3.99Å; E546-W560 HydrophobicContact CG-CG 3.95Å; E546-W560 HydrophobicContact CG-CZ2 4.36Å; C549-W560 HydrophobicContact CB-CZ3 3.95Å; Q550-W560 HydrophobicContact CB-CB 4.38Å; Q550-W560 HydrophobicContact CG-CB 4.08Å; L553-W560 HydrophobicContact CD1-CE3 3.73Å; L553-W560 HydrophobicContact CD1-CZ3 3.83Å; W560-F562 VanDerWaalsContact CD1-O 3.3Å; W560-F562 AromaticContact CH2-CD2 3.93Å; W560-F562 HydrophobicContact CH2-CD2 3.93Å; W560-F562 HydrophobicContact CZ2-CB 4.07Å; W560-F562 AromaticContact CZ2-CD2 3.71Å; W560-F562 HydrophobicContact CZ2-CD2 3.71Å; W560-F562 HydrophobicContact CZ2-CG 4.38Å; W560-F562 HydrophobicContact CZ3-CD2 4.43Å; W560-F562 PolarHBondContact NE1-O 3.38Å
561P66.9Low69.8Low91 Ų9176.1 Ų76.159%0.59145%0.453SS*.  trans-90.8-10.1-16934.7-35.5000114.5P559P559-P561 WeakPolarHBondContact O-CD 3.31Å
562F70.6Confident68.6Low49 Ų4975 Ų7522%0.21546%0.455CS..  trans-104.2115.4-169.5-57-67.1000112.9F516 L519 L520 L523 W560 C564F516-F562 AromaticContact CE2-CE2 3.89Å; F516-F562 HydrophobicContact CE2-CE2 3.89Å; F516-F562 HydrophobicContact CZ-CE2 4.12Å; L519-F562 HydrophobicContact CD2-CB 4.43Å; L519-F562 HydrophobicContact CD2-CD2 3.59Å; L519-F562 HydrophobicContact CD2-CE2 4.01Å; L519-F562 HydrophobicContact CD2-CG 4.07Å; L520-F562 HydrophobicContact CD2-CE2 4.47Å; L520-F562 HydrophobicContact CD2-CZ 3.9Å; L523-F562 HydrophobicContact CD1-CD1 3.96Å; L523-F562 HydrophobicContact CD1-CE1 3.77Å; L523-F562 HydrophobicContact CD1-CZ 4.34Å; W560-F562 VanDerWaalsContact CD1-O 3.3Å; W560-F562 AromaticContact CH2-CD2 3.93Å; W560-F562 HydrophobicContact CH2-CD2 3.93Å; W560-F562 HydrophobicContact CZ2-CB 4.07Å; W560-F562 AromaticContact CZ2-CD2 3.71Å; W560-F562 HydrophobicContact CZ2-CD2 3.71Å; W560-F562 HydrophobicContact CZ2-CG 4.38Å; W560-F562 HydrophobicContact CZ3-CD2 4.43Å; W560-F562 PolarHBondContact NE1-O 3.38Å; F562-C564 PolarHBondContact O-N 2.98Å; F562-C564 VanDerWaalsContact O-N 3.07Å
563N73.8Confident67.4Low98 Ų9882.3 Ų82.352%0.52449%0.488SS..  trans-80.888.2171.7-173.2-11.9000111N565 R566N563-N565 PolarHBondContact O-N 3.45Å; N563-N565 WeakPolarHBondContact OD1-CB 3.3Å; N563-N565 PolarHBondContact OD1-N 3.02Å; N563-N565 PolarHBondContact OD1-ND2 3.48Å; N563-R566 PolarHBondContact O-N 3.21Å
564C74.2Confident66.6Low3 Ų388.1 Ų88.12%0.0251%0.514CS..G310 helixtrans-56.9-19-175.2-58.20000115C542 Q543 F562 R566 L567C542-C564 HydrophobicContact CB-CB 3.6Å; C542-C564 WeakPolarHBondContact CB-SG 3.44Å; C542-C564 PolarHBondContact O-SG 2.91Å; C542-C564 WeakPolarHBondContact SG-CA 3.47Å; C542-C564 WeakPolarHBondContact SG-CB 3.29Å; C542-C564 CovalentContact SG-SG 2.04Å; C542-C564 PolarHBondContact SG-SG 3.26Å; Q543-C564 HydrophobicContact CG-CB 3.99Å; F562-C564 PolarHBondContact O-N 2.98Å; F562-C564 VanDerWaalsContact O-N 3.07Å; C564-R566 PolarHBondContact O-N 2.94Å; C564-L567 PolarHBondContact O-N 3Å; C564-L567 VanDerWaalsContact O-N 3.15Å
565N71.6Confident65.8Low107 Ų10787 Ų8757%0.57251%0.506SS*.G310 helixtrans-66.1-23176.9-57.1-72.5000113.1R539 N563 L567R539-N565 PolarHBondContact NH2-O 3.39Å; N563-N565 PolarHBondContact O-N 3.45Å; N563-N565 WeakPolarHBondContact OD1-CB 3.3Å; N563-N565 PolarHBondContact OD1-N 3.02Å; N563-N565 PolarHBondContact OD1-ND2 3.48Å; N565-L567 PolarHBondContact O-N 2.9Å
566R61.1Low65.7Low208 Ų20880.2 Ų80.279%0.78547%0.471SS*.G310 helixtrans-70-16.7174.2-72.3-170.4172.1-164.6-2.4113.5N563 C564N563-R566 PolarHBondContact O-N 3.21Å; C564-R566 PolarHBondContact O-N 2.94Å
567L65.1Low66.3Low24 Ų2475.3 Ų75.313%0.12645%0.446CS..SBendtrans-85.9147.9-179.9-66.6171.9000112.2L519 L523 P537 R539 C542 C564 N565L519-L567 HydrophobicContact CD1-CD1 4.4Å; L523-L567 HydrophobicContact CD2-CD2 4.18Å; P537-L567 HydrophobicContact CG-CD1 4.22Å; P537-L567 HydrophobicContact CG-CD2 4.28Å; R539-L567 HydrophobicContact CB-CB 4.3Å; R539-L567 PolarHBondContact NE-O 3.32Å; R539-L567 PolarHBondContact NH2-O 2.83Å; R539-L567 VanDerWaalsContact NH2-O 3.1Å; C542-L567 HydrophobicContact CB-CD1 3.47Å; C542-L567 VanDerWaalsContact CB-CD1 3.47Å; C564-L567 PolarHBondContact O-N 3Å; C564-L567 VanDerWaalsContact O-N 3.15Å; N565-L567 PolarHBondContact O-N 2.9Å
568P63.5Low67.2Low46 Ų4677.3 Ų77.330%0.29944%0.437SS..PPolyproline II helixtrans-66.8153177.227.8-37.3000113.3P536 R539 C576P536-P568 HydrophobicContact CG-CG 4.25Å; R539-P568 WeakPolarHBondContact CB-O 3.48Å; R539-P568 PolarHBondContact N-O 3.37Å; P568-C576 HydrophobicContact CB-CB 4.41Å; P568-C576 HydrophobicContact CG-CB 3.72Å
569E72.2Confident67.7Low120 Ų12074.7 Ų74.756%0.56142%0.421SS*.PPolyproline II helixtrans-84.3160.9169.8-66.3-172.817000111.5R539 A571R539-E569 HydrophobicContact CB-CG 4.39Å; R539-E569 IonicContact CZ-OE1 3.64Å; R539-E569 IonicContact NE-OE1 3.98Å; R539-E569 IonicContact NH1-OE1 2.7Å; R539-E569 PolarHBondContact NH1-OE1 3.46Å; E569-A571 PolarHBondContact O-N 3.23Å
570A68.4Low67.5Low60 Ų6073 Ų7350%0.49641%0.407SS..  trans-75.656.6-177.400000113G572A570-G572 PolarHBondContact O-N 3.29Å
571A53.3Low67.1Low86 Ų8675.1 Ų75.171%0.71142%0.421SS*.  trans-8969.3-178.200000111.5E569E569-A571 PolarHBondContact O-N 3.23Å
572G56Low67.1Low57 Ų5774.2 Ų74.259%0.58841%0.412SS*.SBendtrans108.6-179179.700000113.8A570 E574A570-G572 PolarHBondContact O-N 3.29Å; G572-E574 PolarHBondContact O-N 3.34Å
573L52.4Low66.9Low174 Ų17475.7 Ų75.791%0.91142%0.423SS*.SBendtrans-78.1-15.4-171.8-79.1165.2000114.7
574E57.5Low66.5Low131 Ų13174.3 Ų74.361%0.61242%0.417SS*.SBendtrans-129.410-167.6-61.3178.3145.400112.8L535 G572L535-E574 WeakPolarHBondContact CD2-O 3.35Å; G572-E574 PolarHBondContact O-N 3.34Å
575A58.1Low66Low38 Ų3879.1 Ų79.131%0.31444%0.444SS..SBendtrans-83.5-32.4179.900000113.6
576C70.3Confident65.6Low13 Ų1377.1 Ų77.19%0.08843%0.434CS..  trans-166.2162.4-177.759.20000112.1P536 C538 P568P536-C576 CarbonylContact O-C 3.55Å; P536-C576 WeakPolarHBondContact O-CA 3.39Å; P536-C576 WeakPolarHBondContact O-CB 3.25Å; C538-C576 WeakPolarHBondContact CA-SG 3.29Å; C538-C576 HydrophobicContact CB-CB 3.9Å; C538-C576 WeakPolarHBondContact CB-SG 3.38Å; C538-C576 VanDerWaalsContact SG-C 3.57Å; C538-C576 WeakPolarHBondContact SG-CB 3.35Å; C538-C576 CovalentContact SG-SG 2.03Å; C538-C576 PolarHBondContact SG-SG 2.96Å; P568-C576 HydrophobicContact CB-CB 4.41Å; P568-C576 HydrophobicContact CG-CB 3.72Å
577S81.1Confident65.9Low3 Ų367 Ų672%0.02141%0.408CS..BIsolated β-bridgetrans-97150.9177.162.10000112.6L535 P536 P537 C538L535-S577 PolarHBondContact O-OG 2.87Å; P536-S577 PolarHBondContact O-N 2.84Å; P536-S577 PolarHBondContact O-OG 3.4Å; P537-S577 WeakPolarHBondContact CA-O 3.37Å; C538-S577 PolarHBondContact N-O 3.45Å; C538-S577 PolarHBondContact SG-O 2.84Å
578Q84.1Confident66Low110 Ų11070.6 Ų70.651%0.51443%0.431SS..  trans-121.688168.4-64.8-170.9-4.900108.8S478 C538 V541S478-Q578 PolarHBondContact OG-O 3.24Å; C538-Q578 HydrophobicContact CB-CG 4.1Å; C538-Q578 VanDerWaalsContact SG-CG 3.54Å; V541-Q578 HydrophobicContact CG2-CB 4.35Å; V541-Q578 HydrophobicContact CG2-CG 4.14Å
579P75.1Confident66.2Low9 Ų972.8 Ų72.86%0.05844%0.443CS..  trans-53.60-176-31.239.3000115.8L477 S478 Y479 R518L477-P579 HydrophobicContact CD1-CB 4.29Å; L477-P579 HydrophobicContact CD2-CB 4.34Å; S478-P579 VanDerWaalsContact CB-OXT 3.23Å; S478-P579 WeakPolarHBondContact CB-OXT 3.48Å; S478-P579 PolarHBondContact N-OXT 2.91Å; S478-P579 WeakPolarHBondContact OG-CA 3.41Å; S478-P579 PolarHBondContact OG-OXT 3.19Å; Y479-P579 HydrophobicContact CE1-CB 3.93Å; Y479-P579 HydrophobicContact CE1-CG 4Å; R518-P579 HydrophobicContact CB-CB 4Å; R518-P579 VanDerWaalsContact CD-O 3.27Å; R518-P579 WeakPolarHBondContact CD-O 3.45Å; R518-P579 HydrophobicContact CG-CB 4.14Å; R518-P579 WeakPolarHBondContact CG-O 3.32Å; R518-P579 PolarHBondContact NH1-O 3.46Å

Retrieved 579 of 579 residues in 349.7 ms (Link to these results)