A0A093HH99_STRCA Loading...

Epiphycan

AlphaFold DB , UniProt , Accession A0A093HH99, Species STRCA (Struthio camelus australis), Gene n/a, Length 316 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
1M37.2Very low33.9Very low244 Ų244156.8 Ų156.8100%1.20280%0.799SS**  0113.40-67.7178.8-162.500106.5
2K39Very low33.7Very low186 Ų186158.2 Ų158.281%0.80980%0.796SS**  cis-147.3124.313-67.8162.3172174.70104.1
3T31.7Very low33.3Very low118 Ų118157.2 Ų157.272%0.72479%0.792SS**  47.4105.868600000116.3
4F34.6Very low33.1Very low203 Ų203160.3 Ų160.389%0.8980%0.798SS**  trans-166.6101.9142.6-85.8-73.6000104.1
5V33.4Very low32.8Very low122 Ų122160.6 Ų160.674%0.73980%0.796SS**  60.699.161.3-172.70000114.2
6N31Very low32.8Very low131 Ų131157.8 Ų157.870%0.70180%0.797SS**  trans23.9132.1139.9-67.5-6.4000120.5
7I36.4Very low32.6Very low160 Ų160158.1 Ų158.182%0.82180%0.799SS**  trans-132.2121.3132.3-64.1-176.8000109.6L9I7-L9 HydrophobicContact CG2-CD1 3.98Å
8F31.9Very low32.6Very low180 Ų180153.4 Ų153.479%0.78980%0.798SS**  trans-84.6132.7167.9-114-97.6000109.2
9L34.9Very low32.5Very low154 Ų154150.4 Ų150.481%0.80680%0.797SS**  trans-146.9109.5147.8-89.3108.7000103.3I7I7-L9 HydrophobicContact CG2-CD1 3.98Å
10G29.9Very low32.6Very low53 Ų53147.2 Ų147.255%0.54679%0.793SS.*  cis75.58945.300000108.4
11F32.6Very low32.6Very low174 Ų174146.4 Ų146.476%0.76380%0.796SS**  trans175.3128.9130-94-58.6000114.9
12F31.6Very low32.4Very low173 Ų173142.8 Ų142.876%0.75978%0.779SS**  trans71.5110149.2-64.3-60.9000123
13I29.2Very low32Very low146 Ų146137.7 Ų137.775%0.74977%0.772SS**  trans-56.7134.9154.3-62.4163.1000110.2E15I13-E15 HydrophobicContact CG2-CG 4.27Å
14F30.4Very low31.8Very low200 Ų200139.2 Ų139.288%0.87778%0.776SS**  trans-128.2101.5149.9-105.4-84.9000107.8
15E28.8Very low31.6Very low165 Ų165135.8 Ų135.877%0.77177%0.772SS**  trans-69.6127.2155.6-75.6-177.7154.800107.4I13I13-E15 HydrophobicContact CG2-CG 4.27Å
16S31.5Very low31.5Very low115 Ų115135.8 Ų135.880%0.80477%0.772SS**  trans-115.1111.4163.7550000108.3
17I30.8Very low31.4Very low163 Ų163136.4 Ų136.484%0.83677%0.774SS**  trans-77.6112.8169-68.7162.9000106.3
18G31.9Very low31Very low75 Ų75139.1 Ų139.177%0.77378%0.775SS**  trans-120.6104.5170.900000109.1
19A31.2Very low30.9Very low95 Ų95134.8 Ų134.879%0.78577%0.773SS**PPolyproline II helixtrans-65.3140.7-17900000112.5
20A33.4Very low30.8Very low87 Ų87133.3 Ų133.372%0.71978%0.775SS**PPolyproline II helixtrans-73.7148.417000000111.8
21P33.7Very low31Very low131 Ų131139 Ų13985%0.85179%0.788SS**PPolyproline II helixtrans-92.1132.915430.6-23.5000111
22I31.4Very low30.9Very low167 Ų167139.3 Ų139.386%0.85679%0.789SS**PPolyproline II helixtrans-97.8137.9172.9-64.9165000108.4
23A30.9Very low30.9Very low79 Ų79136.1 Ų136.165%0.65379%0.788SS**  trans160.9135152.300000107.9
24D29.1Very low31Very low151 Ų151136.6 Ų136.681%0.80779%0.792SS**  cis-151.9130.15.9-86.2-36.9000108.4
25T29.7Very low31.3Very low130 Ų130134.7 Ų134.780%0.79879%0.789SS**  trans-94.7111.8163.627.30000108.6I27T25-I27 PolarHBondContact O-N 3.26Å
26V30.5Very low31.5Very low123 Ų123132.6 Ų132.675%0.74579%0.79SS**  trans-76.5107.4169.91790000108.4Y28V26-Y28 HydrophobicContact CG1-CD2 3.93Å; V26-Y28 HydrophobicContact CG1-CE2 4.14Å
27I28.8Very low31.7Very low144 Ų144135.8 Ų135.874%0.73880%0.797SS**  trans-87119.2167.9-61.2177.7000107.5T25T25-I27 PolarHBondContact O-N 3.26Å
28Y29.6Very low31.8Very low217 Ų217131.5 Ų131.585%0.85179%0.793SS**  trans-107.8113.9153.8-95.2-86000107.8V26V26-Y28 HydrophobicContact CG1-CD2 3.93Å; V26-Y28 HydrophobicContact CG1-CE2 4.14Å
29A28.4Very low31.8Very low89 Ų89137.7 Ų137.774%0.73680%0.801SS**  trans-103.7129.6162.600000107.8
30S33.2Very low32.1Very low122 Ų122140.4 Ų140.485%0.85380%0.802SS**  trans-155125.8149.462.70000110
31E33.4Very low32.1Very low174 Ų174142.3 Ų142.381%0.81381%0.807SS**  trans-70.1156.6179.7-84175.6152.200115.3
32F31.7Very low32.1Very low179 Ų179144 Ų14479%0.78580%0.804SS**  trans63.9119.2143.5-92.7-94.4000122
33S30.7Very low32.5Very low106 Ų106140.7 Ų140.774%0.74179%0.793SS**  168.2138.297.9-670000113
34D32.3Very low32.3Very low157 Ų157146.8 Ų146.884%0.8481%0.805SS**  trans-66.7140.2169.2-63.6-59.6000113
35I36.2Very low32.3Very low159 Ų159145.2 Ų145.282%0.81580%0.801SS**  trans-140.6134.7159.4-58.3-178.3000109.1
36P33.9Very low32.3Very low121 Ų121149.4 Ų149.479%0.78680%0.803SS**  trans-92.9168.5-168.334.4-28.2000115.3
37L35.8Very low32.3Very low183 Ų183147.8 Ų147.896%0.95880%0.803SS**  trans-51.6141.5175.4-97.883.7000114.9
38G31.2Very low32.4Very low72 Ų72149.8 Ų149.874%0.74281%0.809SS**  trans150.295.5147.100000116.5
39E32Very low32.4Very low205 Ų205147.2 Ų147.296%0.95881%0.81SS**  158.6122.8128.2-87.9-177.5163.700112.2
40L38Very low32.5Very low153 Ų153151.2 Ų151.280%0.80181%0.814SS**  trans-79.1161.7-178.5-89.8156.4000111.5
41P33.4Very low32.2Very low126 Ų126153.4 Ų153.482%0.81881%0.811SS**  -150160.758.436.9-14.1000118.7
42Q33.5Very low32Very low167 Ų167150.1 Ų150.178%0.7881%0.807SS**  trans-82.9-175.5162-67.1-164.9-20.900110.9
43P40Very low32Very low97 Ų97149.1 Ų149.163%0.6381%0.809SS**  cis-126.3163.9-27.923-2.1000111.6
44F27.4Very low32Very low208 Ų208152.4 Ų152.491%0.91281%0.813SS**  trans-117.2112.5158-80.1-76.3000110.6
45V29.4Very low32Very low118 Ų118153.4 Ų153.472%0.71582%0.818SS**  trans-83.9133.8162.1169.70000107.9
46Y28.8Very low31.7Very low217 Ų217154.4 Ų154.485%0.85182%0.819SS**  trans-179.9151.6142-71.3-63.7000106.7
47A30.9Very low31.7Very low90 Ų90153 Ų15374%0.74482%0.818SS**  cis-168.7150.6-29.600000103.6
48E29.9Very low31.4Very low186 Ų186153.6 Ų153.687%0.86982%0.816SS**  trans-58.9147172.1-66.4169.914200111.3
49N29.5Very low31.5Very low162 Ų162157.6 Ų157.687%0.86682%0.818SS**  trans-164.1139.2132.3-97.6-13.6000112.3
50E30.9Very low31.4Very low173 Ų173151.3 Ų151.381%0.80881%0.809SS**  trans-56.8153.8176.8-55.1175.1132.300113.5
51Q28.3Very low31.2Very low169 Ų169150.1 Ų150.179%0.7981%0.808SS**  -173.4126.7110.8-154.478.71600109.3
52S29.2Very low31.2Very low105 Ų105148.9 Ų148.973%0.73481%0.808SS**  trans-68.2140162.5-67.90000109.6
53D31.8Very low31.2Very low157 Ų157148.7 Ų148.784%0.8481%0.812SS**  trans-140.7123.3149.6-94.3-30.3000110.2
54Q29.6Very low30.9Very low176 Ų176149.5 Ų149.582%0.82282%0.817SS**  trans-72.4131.7175.4-72.2165.2-3000109.1
55L32.3Very low30.9Very low177 Ų177145.3 Ų145.393%0.92781%0.814SS**  trans-89.2105.5161.5-109.682.4000108.7
56E30Very low30.8Very low181 Ų181147.3 Ų147.385%0.84682%0.818SS**  trans-73.8125.4158.7-70-178.7148.900108.8
57A33.7Very low30.9Very low92 Ų92142.7 Ų142.776%0.7681%0.813SS**  trans-115108.1165.800000108.2
58E30.4Very low30.7Very low195 Ų195147.9 Ų147.991%0.91182%0.822SS**  trans-61.2126.1169.9-67.8-179.8143.800110.5
59I32.1Very low30.5Very low155 Ų155146.7 Ų146.780%0.79582%0.817SS**  trans-123.593.4160.1-57.6177.5000106.9
60G30.4Very low30.2Very low74 Ų74144.5 Ų144.576%0.76381%0.814SS**  trans-81.9121.3165.400000110.2
61T33.2Very low30Very low128 Ų128146.4 Ų146.479%0.78582%0.815SS**  trans-149118.7154.318.50000108.9
62A34.8Very low29.9Very low100 Ų100143.7 Ų143.783%0.82682%0.815SS**PPolyproline II helixtrans-70.8140.8-177.200000112.4
63L32.6Very low30Very low163 Ų163144.2 Ų144.285%0.85382%0.819SS**PPolyproline II helixtrans-76133167.1-11078.1000110.1
64P33.3Very low30.1Very low113 Ų113140.8 Ų140.873%0.73481%0.812SS**PPolyproline II helixtrans-80.6132164.830.8-29000110.5I66P64-I66 PolarHBondContact O-N 2.87Å
65S27.3Very low30.2Very low121 Ų121138.4 Ų138.485%0.84681%0.812SS**PPolyproline II helixtrans-69.7121.6171.8-50.10000110.3
66I28.6Very low30.1Very low159 Ų159138.2 Ų138.282%0.81581%0.811SS**PPolyproline II helixtrans-93.9118.7169.4-65.3174.9000108P64P64-I66 PolarHBondContact O-N 2.87Å
67T29.3Very low30.1Very low121 Ų121136.1 Ų136.174%0.74281%0.811SS**PPolyproline II helixtrans-57.1127.8172.938.40000111.6E69T67-E69 PolarHBondContact O-N 2.69Å
68Q27.5Very low29.9Very low199 Ų199140.7 Ų140.793%0.9382%0.816SS**  trans-66.6112.8165.8-79.1176.4-50.100109.3
69E26.3Very low29.9Very low161 Ų161140.3 Ų140.375%0.75281%0.814SS**  trans-91.5118.4160.7-78.8-170.6166.600109.6T67 Y71T67-E69 PolarHBondContact O-N 2.69Å; E69-Y71 PolarHBondContact O-N 2.91Å
70S23.3Very low30.1Very low115 Ų115138.6 Ų138.680%0.80481%0.813SS**  trans-70114.917154.50000110.5
71Y26Very low30Very low213 Ų213144 Ų14484%0.83582%0.819SS**  trans-99.3109.6157.6-89.2-88.2000109.3E69E69-Y71 PolarHBondContact O-N 2.91Å
72S26.1Very low30Very low112 Ų112147.2 Ų147.278%0.78383%0.825SS**  trans-78.1127.4167.7175.90000108.9
73S31.9Very low29.8Very low117 Ų117151.7 Ų151.782%0.81883%0.829SS**  trans-126115.1159.1560000108.4
74A33.2Very low29.8Very low85 Ų85148.7 Ų148.770%0.70283%0.827SS**PPolyproline II helixtrans-73.6162.2174.900000111.4
75P32.1Very low29.7Very low126 Ų126148.9 Ų148.982%0.81883%0.832SS**PPolyproline II helixtrans-87.4148-156.632.2-30.1000113.8
76L29.6Very low30.1Very low173 Ų173148.8 Ų148.891%0.90683%0.826SS**PPolyproline II helixtrans-94.3131.6166.2-81.5158.2000109.4
77T30.1Very low30.5Very low137 Ų137147.1 Ų147.184%0.8483%0.826SS**PPolyproline II helixtrans-55.1133.8-178.628.30000115.2
78E29.5Very low30.8Very low187 Ų187150.7 Ų150.787%0.87483%0.831SS**PPolyproline II helixtrans-84.8141.2158.5-69178.8158.600110.2
79E31.1Very low31Very low187 Ų187149.1 Ų149.187%0.87483%0.828SS**  trans-173.8160.9144.7-76.8-143.4164.300108.1
80P35.2Very low31.4Very low120 Ų120148.8 Ų148.878%0.77983%0.829SS**  -120.4178.4-78.826.9-4.4000113.3
81E28.7Very low32Very low187 Ų187151.3 Ų151.387%0.87483%0.834SS**  trans-58.5140.4179.3-58.1174.515200114.6
82E32.8Very low32.4Very low196 Ų196144.5 Ų144.592%0.91683%0.829SS**  trans-128.4120.3153.4-86.5-162.916300110.3
83E30.6Very low32.8Very low193 Ų193144.8 Ų144.890%0.90283%0.831SS**  trans-71.9135.4169.7-65.8-166.4151.500111.4
84A32.4Very low33.1Very low100 Ų100144.6 Ų144.683%0.82683%0.83SS**  trans-148.798.5158.600000112.3
85S31.8Very low33.1Very low118 Ų118145.3 Ų145.383%0.82584%0.835SS**  trans18.9123.4144.1-159.70000120.7
86T36.7Very low33.7Very low119 Ų119148.8 Ų148.873%0.7384%0.841SS**  trans-49.4168.216756.70000116
87P35.5Very low33.9Very low124 Ų124143.7 Ų143.781%0.80583%0.829SS**  -131.7144.611521.4-3.1000115.5
88K35.9Very low34.7Very low196 Ų196143.2 Ų143.285%0.85283%0.832SS**  trans-59.8143.7169.3-72.1171172.6175.10112.3
89L33.2Very low35Very low165 Ų165137.5 Ų137.586%0.86482%0.823SS**  trans-120.998.6160.9-91157.2000110.2
90I34.2Very low35.7Very low154 Ų154135.8 Ų135.879%0.7983%0.825SS**  trans25.1120139.9-54.4171000118.4
91D34.8Very low36.2Very low168 Ų168135.9 Ų135.990%0.89882%0.818SS**  trans-67134.1162.7-148.5-2.1000111
92G34.6Very low37.1Very low70 Ų70128.8 Ų128.872%0.72280%0.796SS**  trans-154.2107.5-174.900000112.6
93S34.4Very low37.8Very low118 Ų118122.8 Ų122.883%0.82577%0.774SS**  trans-43145.6-179.2-66.50000118.2
94S38.1Very low38.7Very low114 Ų114118.8 Ų118.880%0.79776%0.755SS**  trans36.9103.4134.3-165.40000118.2
95A33.1Very low39.4Very low99 Ų99115.5 Ų115.582%0.81873%0.725SS**  trans-140.7112.7146.100000109.2G97A95-G97 PolarHBondContact O-N 2.91Å; A95-G97 VanDerWaalsContact O-N 3.11Å
96Q46Very low40.2Very low200 Ų200119.5 Ų119.594%0.93573%0.73SS**  trans-57.8109.2162.6-81.6156.3-21.300108.6
97G33.5Very low40.6Very low65 Ų65120.5 Ų120.567%0.6773%0.731SS**  trans-141.9111.8173.400000109A95 G99A95-G97 PolarHBondContact O-N 2.91Å; A95-G97 VanDerWaalsContact O-N 3.11Å; G97-G99 PolarHBondContact O-N 3.21Å; G97-G99 VanDerWaalsContact O-N 3.07Å
98S46.9Very low41.2Very low128 Ų128116.6 Ų116.690%0.89571%0.713SS**  trans-45.9110.6177.9-66.60000112.1
99G35.3Very low42.2Very low67 Ų67111.2 Ų111.269%0.69169%0.693SS**  trans-72131.4176.400000112G97 L101G97-G99 PolarHBondContact O-N 3.21Å; G97-G99 VanDerWaalsContact O-N 3.07Å; G99-L101 PolarHBondContact O-N 3.09Å; G99-L101 VanDerWaalsContact O-N 3.11Å
100V45.8Very low44.1Very low151 Ų151105.5 Ų105.592%0.91567%0.666SS**SBendtrans-69.99.6171.6171.30000112.4
101L45.7Very low46.3Very low121 Ų12198.4 Ų98.463%0.63463%0.629SS**SBendtrans-115.6129.4-172.8-71.7157.9000109.2G99G99-L101 PolarHBondContact O-N 3.09Å; G99-L101 VanDerWaalsContact O-N 3.11Å
102G48.5Very low48.6Very low39 Ų3993.5 Ų93.540%0.40261%0.608SS.*  trans-60.8-178.9-176.300000114.2Q104G102-Q104 PolarHBondContact O-N 2.91Å
103P47.9Very low51Low70 Ų7095.9 Ų95.946%0.45560%0.603SS.*SBendtrans-60.8127.3-176.726.6-32.7000110.1P134P103-P134 HydrophobicContact CB-CB 3.87Å; P103-P134 HydrophobicContact CG-CB 3.93Å; P103-P134 WeakPolarHBondContact O-CG 3.49Å
104Q47.7Very low53.4Low109 Ų10993.8 Ų93.851%0.50958%0.582SS.*PPolyproline II helixtrans-74.6132.9-168.7-61-68.47.700111.5G102 G108G102-Q104 PolarHBondContact O-N 2.91Å; Q104-G108 VanDerWaalsContact OE1-CA 3.24Å; Q104-G108 PolarHBondContact OE1-O 3.14Å
105T48.8Very low55.9Low31 Ų3188.5 Ų88.519%0.1955%0.546CS..PPolyproline II helixtrans-72.1169.4162.847.70000109.7D107 G108 L109 P133 P134T105-D107 PolarHBondContact O-N 3.46Å; T105-G108 PolarHBondContact O-N 2.76Å; T105-L109 PolarHBondContact OG1-N 3.37Å; T105-L109 PolarHBondContact OG1-O 3.33Å; T105-P133 HydrophobicContact CG2-CB 4.4Å; T105-P134 HydrophobicContact CG2-CG 3.59Å
106H48.1Very low58.8Low202 Ų20286.8 Ų86.894%0.93553%0.525SS*.THydrogen-bonded Turntrans-55.5-12.6174.2-80-82000114.5
107D45.2Very low61Low140 Ų14079.2 Ų79.275%0.74949%0.494SS*.THydrogen-bonded Turntrans-113.48.5175.1-62.2-46.1000114.2T105 L109T105-D107 PolarHBondContact O-N 3.46Å; D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 HydrophobicContact CB-CD1 4.46Å; D107-L109 WeakPolarHBondContact O-CD1 3.49Å; D107-L109 PolarHBondContact O-N 3.18Å
108G47.3Very low63.8Low41 Ų4181.3 Ų81.342%0.42349%0.489SS..SBendtrans70.715.717600000115.5Q104 T105Q104-G108 VanDerWaalsContact OE1-CA 3.24Å; Q104-G108 PolarHBondContact OE1-O 3.14Å; T105-G108 PolarHBondContact O-N 2.76Å
109L56.2Low65.9Low84 Ų8479.4 Ų79.444%0.4449%0.489SS..  trans-100.5137.7176.7-84.374.2000111T105 D107 L113T105-L109 PolarHBondContact OG1-N 3.37Å; T105-L109 PolarHBondContact OG1-O 3.33Å; D107-L109 VanDerWaalsContact C-N 3.27Å; D107-L109 HydrophobicContact CB-CD1 4.46Å; D107-L109 WeakPolarHBondContact O-CD1 3.49Å; D107-L109 PolarHBondContact O-N 3.18Å; L109-L113 HydrophobicContact CB-CD2 4.3Å; L109-L113 HydrophobicContact CD2-CD2 3.47Å; L109-L113 VanDerWaalsContact CD2-CD2 3.47Å; L109-L113 HydrophobicContact CD2-CG 4.35Å; L109-L113 HydrophobicContact CG-CD2 3.84Å
110P74.4Confident68.6Low44 Ų4478.6 Ų78.629%0.28647%0.471SS..  trans-67.7141.4177.726.7-31.3000110.4C112 L113P110-C112 PolarHBondContact O-N 3.29Å; P110-L113 HydrophobicContact CG-CB 4.06Å; P110-L113 VanDerWaalsContact O-CB 3.28Å; P110-L113 WeakPolarHBondContact O-CB 3.4Å; P110-L113 PolarHBondContact O-N 3.24Å
111T80.6Confident71Confident5 Ų572.4 Ų72.43%0.03143%0.433CS..Hα-helixtrans-51.1-32.9-179.6-60.80000113.6L113 L114 C115 V122 P133 P134 L135T111-L113 PolarHBondContact O-N 3.22Å; T111-L114 PolarHBondContact O-N 3.14Å; T111-C115 HydrophobicContact CG2-CB 4.37Å; T111-C115 WeakPolarHBondContact O-CA 3.42Å; T111-C115 VanDerWaalsContact O-CB 3.23Å; T111-C115 WeakPolarHBondContact O-CB 3.23Å; T111-C115 PolarHBondContact O-N 3.39Å; T111-V122 HydrophobicContact CG2-CG1 4.11Å; T111-P133 HydrophobicContact CG2-CB 3.93Å; T111-P133 HydrophobicContact CG2-CG 3.87Å; T111-P134 WeakPolarHBondContact CB-O 3.45Å; T111-P134 PolarHBondContact OG1-O 2.85Å; T111-L135 HydrophobicContact CG2-CD2 4.29Å
112C83.4Confident73.4Confident66 Ų6666.8 Ų66.845%0.44640%0.404SS..Hα-helixtrans-76.5-1.7178.3-570000115P110 C115 C117P110-C112 PolarHBondContact O-N 3.29Å; C112-C115 CarbonylContact C-O 3.58Å; C112-C115 WeakPolarHBondContact CA-O 3.31Å; C112-C117 WeakPolarHBondContact CA-SG 3.09Å; C112-C117 HydrophobicContact CB-CB 3.72Å; C112-C117 WeakPolarHBondContact CB-SG 3.37Å; C112-C117 WeakPolarHBondContact SG-CB 3.37Å; C112-C117 CovalentContact SG-SG 2.04Å; C112-C117 PolarHBondContact SG-SG 2.87Å
113L83.5Confident75.6Confident120 Ų12068.9 Ų68.963%0.62840%0.401SS*.Hα-helixtrans-92.2-33.1169.1-16865.3000110.7L109 P110 T111L109-L113 HydrophobicContact CB-CD2 4.3Å; L109-L113 HydrophobicContact CD2-CD2 3.47Å; L109-L113 VanDerWaalsContact CD2-CD2 3.47Å; L109-L113 HydrophobicContact CD2-CG 4.35Å; L109-L113 HydrophobicContact CG-CD2 3.84Å; P110-L113 HydrophobicContact CG-CB 4.06Å; P110-L113 VanDerWaalsContact O-CB 3.28Å; P110-L113 WeakPolarHBondContact O-CB 3.4Å; P110-L113 PolarHBondContact O-N 3.24Å; T111-L113 PolarHBondContact O-N 3.22Å
114L85.5Confident77.9Confident73 Ų7365.5 Ų65.538%0.38238%0.379SS..Hα-helixtrans-87.3-23.2176.1-174.260.6000113.1T111 R127 L129T111-L114 PolarHBondContact O-N 3.14Å; L114-R127 PolarHBondContact O-NH1 2.82Å; L114-L129 HydrophobicContact CD2-CD2 3.34Å; L114-L129 HydrophobicContact CG-CD2 4.01Å
115C91.4Very high80.2Confident4 Ų462 Ų623%0.02736%0.364CS..SBendtrans-131.1164.5-176.8-59.60000110.9T111 C112 V122 Y123 C124T111-C115 HydrophobicContact CG2-CB 4.37Å; T111-C115 WeakPolarHBondContact O-CA 3.42Å; T111-C115 VanDerWaalsContact O-CB 3.23Å; T111-C115 WeakPolarHBondContact O-CB 3.23Å; T111-C115 PolarHBondContact O-N 3.39Å; C112-C115 CarbonylContact C-O 3.58Å; C112-C115 WeakPolarHBondContact CA-O 3.31Å; C115-V122 HydrophobicContact CB-CG1 4.09Å; C115-Y123 VanDerWaalsContact CB-O 3.31Å; C115-Y123 WeakPolarHBondContact CB-O 3.08Å; C115-C124 HydrophobicContact CB-CB 4Å; C115-C124 WeakPolarHBondContact CB-SG 3.42Å; C115-C124 VanDerWaalsContact SG-CA 3.58Å; C115-C124 WeakPolarHBondContact SG-CB 3.22Å; C115-C124 CovalentContact SG-SG 2.02Å; C115-C124 PolarHBondContact SG-SG 2.96Å
116T93.1Very high82.4Confident63 Ų6366.3 Ų66.339%0.38739%0.385SS..EExtended strand (participates in β ladder)trans-93.6109.2178.2-55.30000110.1L118 Y123 R127T116-L118 HydrophobicContact CG2-CD2 4.33Å; T116-L118 HydrophobicContact CG2-CG 4.14Å; T116-Y123 PolarHBondContact N-O 3.49Å; T116-Y123 PolarHBondContact O-N 3.3Å; T116-R127 PolarHBondContact OG1-NH2 3.33Å
117C92.9Very high84.4Confident41 Ų4161.3 Ų61.328%0.27736%0.358SS..EExtended strand (participates in β ladder)trans-96.5115.9177-65.10000111.1C112 T121C112-C117 WeakPolarHBondContact CA-SG 3.09Å; C112-C117 HydrophobicContact CB-CB 3.72Å; C112-C117 WeakPolarHBondContact CB-SG 3.37Å; C112-C117 WeakPolarHBondContact SG-CB 3.37Å; C112-C117 CovalentContact SG-SG 2.04Å; C112-C117 PolarHBondContact SG-SG 2.87Å; C117-T121 CarbonylContact C-O 3.13Å; C117-T121 WeakPolarHBondContact CA-O 3.42Å
118L91.9Very high86.7Confident109 Ų10960 Ų6057%0.57135%0.348SS*.EExtended strand (participates in β ladder)trans-119.1104.1177-61.9179.5000109.8T116 T120 T121 Y123T116-L118 HydrophobicContact CG2-CD2 4.33Å; T116-L118 HydrophobicContact CG2-CG 4.14Å; L118-T120 PolarHBondContact O-N 3.46Å; L118-T121 PolarHBondContact N-O 3.37Å; L118-T121 PolarHBondContact O-N 3.23Å; L118-Y123 HydrophobicContact CB-CE2 4.41Å; L118-Y123 HydrophobicContact CD1-CD2 4.36Å; L118-Y123 HydrophobicContact CD1-CE2 4.04Å; L118-Y123 HydrophobicContact CG-CE2 4.47Å
119G90.2Very high88.8Confident87 Ų8758.8 Ų58.890%0.89733%0.331SS*.THydrogen-bonded Turntrans62.1-107-177.200000111.8
120T92.5Very high90.6Very high51 Ų5158.4 Ų58.431%0.31334%0.341SS..THydrogen-bonded Turntrans-105.56.2176.856.90000113.2L118 K138 T139 M140 Y141L118-T120 PolarHBondContact O-N 3.46Å; T120-K138 WeakPolarHBondContact CB-O 3.45Å; T120-K138 WeakPolarHBondContact CG2-O 3.44Å; T120-T139 CarbonylContact O-C 3.12Å; T120-T139 WeakPolarHBondContact O-CA 3.45Å; T120-M140 HydrophobicContact CG2-CE 4.14Å; T120-M140 HydrophobicContact CG2-CG 4.23Å; T120-M140 HydrophobicContact CG2-SD 3.98Å; T120-M140 PolarHBondContact O-N 3.42Å; T120-M140 PolarHBondContact OG1-SD 3.2Å; T120-Y141 PolarHBondContact O-N 3.23Å
121T96.1Very high91.5Very high20 Ų2058.8 Ų58.812%0.12335%0.347CS..EExtended strand (participates in β ladder)trans-105.7137.3179.8-54.10000110.8C117 L118 Y123 Y141 Y143C117-T121 CarbonylContact C-O 3.13Å; C117-T121 WeakPolarHBondContact CA-O 3.42Å; L118-T121 PolarHBondContact N-O 3.37Å; L118-T121 PolarHBondContact O-N 3.23Å; T121-Y123 HydrophobicContact CG2-CD1 4.4Å; T121-Y123 HydrophobicContact CG2-CD2 3.84Å; T121-Y123 HydrophobicContact CG2-CE1 3.91Å; T121-Y123 HydrophobicContact CG2-CE2 3.28Å; T121-Y123 HydrophobicContact CG2-CG 4.37Å; T121-Y141 WeakPolarHBondContact CA-O 3.33Å; T121-Y143 HydrophobicContact CG2-CD2 3.73Å; T121-Y143 HydrophobicContact CG2-CE2 3.67Å
122V95.8Very high92.1Very high3 Ų359.2 Ų59.22%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-117.4118.3175.9-179.50000108.7T111 C115 L135 P136 T139 Y141 F142 Y143T111-V122 HydrophobicContact CG2-CG1 4.11Å; C115-V122 HydrophobicContact CB-CG1 4.09Å; V122-L135 HydrophobicContact CG1-CD2 4.23Å; V122-P136 HydrophobicContact CG2-CG 4.44Å; V122-T139 HydrophobicContact CB-CG2 4.29Å; V122-T139 HydrophobicContact CG2-CG2 3.77Å; V122-Y141 PolarHBondContact N-O 3.07Å; V122-F142 HydrophobicContact CB-CD2 4.18Å; V122-F142 HydrophobicContact CG1-CD2 4.22Å; V122-F142 HydrophobicContact CG1-CE2 4.42Å; V122-Y143 PolarHBondContact O-N 3.19Å
123Y96Very high92.5Very high83 Ų8356.4 Ų56.433%0.32533%0.331SS..EExtended strand (participates in β ladder)trans-107.2112.4177-61.8-83.4000110.3C115 T116 L118 T121 Y143C115-Y123 VanDerWaalsContact CB-O 3.31Å; C115-Y123 WeakPolarHBondContact CB-O 3.08Å; T116-Y123 PolarHBondContact N-O 3.49Å; T116-Y123 PolarHBondContact O-N 3.3Å; L118-Y123 HydrophobicContact CB-CE2 4.41Å; L118-Y123 HydrophobicContact CD1-CD2 4.36Å; L118-Y123 HydrophobicContact CD1-CE2 4.04Å; L118-Y123 HydrophobicContact CG-CE2 4.47Å; T121-Y123 HydrophobicContact CG2-CD1 4.4Å; T121-Y123 HydrophobicContact CG2-CD2 3.84Å; T121-Y123 HydrophobicContact CG2-CE1 3.91Å; T121-Y123 HydrophobicContact CG2-CE2 3.28Å; T121-Y123 HydrophobicContact CG2-CG 4.37Å; Y123-Y143 AromaticContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CE2 4.48Å; Y123-Y143 HydrophobicContact CD1-CG 4.03Å; Y123-Y143 AromaticContact CE1-CD2 3.38Å; Y123-Y143 HydrophobicContact CE1-CD2 3.38Å; Y123-Y143 AromaticContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CG 4.04Å
124C95.4Very high92.8Very high0 Ų052.3 Ų52.30%031%0.311CS..  trans-11922.7-179.7-67.70000111.8C115 D126 R127 L129 F142 Y143 N147C115-C124 HydrophobicContact CB-CB 4Å; C115-C124 WeakPolarHBondContact CB-SG 3.42Å; C115-C124 VanDerWaalsContact SG-CA 3.58Å; C115-C124 WeakPolarHBondContact SG-CB 3.22Å; C115-C124 CovalentContact SG-SG 2.02Å; C115-C124 PolarHBondContact SG-SG 2.96Å; C124-D126 PolarHBondContact O-N 3.13Å; C124-R127 WeakPolarHBondContact O-CG 3.05Å; C124-L129 HydrophobicContact CB-CD1 3.64Å; C124-F142 HydrophobicContact CB-CE2 4.29Å; C124-Y143 PolarHBondContact N-O 2.82Å; C124-N147 PolarHBondContact O-ND2 3.08Å
125D95.5Very high93.1Very high36 Ų3649.3 Ų49.319%0.19330%0.296CS..THydrogen-bonded Turntrans-61.3136.4-177-58.3-47000111.6R127 R145D125-R127 WeakPolarHBondContact O-CG 3.41Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R127 PolarHBondContact O-NE 2.98Å; D125-R145 WeakPolarHBondContact CA-O 3.26Å; D125-R145 VanDerWaalsContact OD1-CB 3.22Å; D125-R145 WeakPolarHBondContact OD1-CB 3.44Å; D125-R145 WeakPolarHBondContact OD1-CG 3.32Å; D125-R145 IonicContact OD1-CZ 3.18Å; D125-R145 PolarHBondContact OD1-N 2.98Å; D125-R145 IonicContact OD1-NE 3.75Å; D125-R145 PolarHBondContact OD1-NE 2.03Å; D125-R145 IonicContact OD1-NH2 2.87Å; D125-R145 IonicContact OD2-CZ 3.68Å; D125-R145 IonicContact OD2-NE 3.15Å; D125-R145 PolarHBondContact OD2-NE 2.92Å; D125-R145 IonicContact OD2-NH2 2.64Å; D125-R145 PolarHBondContact OD2-NH2 3.36Å
126D94.4Very high93Very high120 Ų12051.1 Ų51.164%0.64231%0.307SS*.THydrogen-bonded Turntrans53.849.2174.3-16227.6000114.8C124 R145C124-D126 PolarHBondContact O-N 3.13Å; D126-R145 PolarHBondContact N-O 3.35Å
127R92Very high92.9Very high98 Ų9855.6 Ų55.637%0.3732%0.322SS..SBendtrans-11315179.7-58.2-60.9171.795.22.1113L114 T116 C124 D125 L129 N147L114-R127 PolarHBondContact O-NH1 2.82Å; T116-R127 PolarHBondContact OG1-NH2 3.33Å; C124-R127 WeakPolarHBondContact O-CG 3.05Å; D125-R127 WeakPolarHBondContact O-CG 3.41Å; D125-R127 PolarHBondContact O-N 2.95Å; D125-R127 PolarHBondContact O-NE 2.98Å; R127-L129 HydrophobicContact CB-CD1 4.34Å; R127-L129 HydrophobicContact CB-CD2 4.3Å; R127-L129 HydrophobicContact CB-CG 3.91Å; R127-L129 PolarHBondContact O-N 3.42Å; R127-N147 WeakPolarHBondContact CA-OD1 3.25Å; R127-N147 PolarHBondContact N-OD1 3.5Å
128E92.3Very high92.7Very high112 Ų11261.5 Ų61.552%0.52334%0.343SS..  trans52.625.7-176.9-50.8-164.1156.500114.9A130 N147 R148E128-A130 PolarHBondContact O-N 2.63Å; E128-N147 PolarHBondContact N-OD1 3.08Å; E128-N147 VanDerWaalsContact N-OD1 3.15Å; E128-R148 VanDerWaalsContact CD-CZ 3.41Å; E128-R148 IonicContact OE1-CZ 2.75Å; E128-R148 IonicContact OE1-NH1 2.93Å; E128-R148 IonicContact OE1-NH2 3.79Å; E128-R148 PolarHBondContact OE1-NH2 3.41Å; E128-R148 IonicContact OE2-CZ 3.52Å; E128-R148 IonicContact OE2-NH1 3.77Å; E128-R148 PolarHBondContact OE2-NH1 3.32Å; E128-R148 IonicContact OE2-NH2 3.44Å; E128-R148 PolarHBondContact OE2-NH2 3.4Å
129L92.3Very high92.8Very high15 Ų1556.5 Ų56.58%0.07932%0.316CS..  trans-61.7126.7-173.9-62.9172.3000111.1L114 C124 R127 P133 N147 R148 I149L114-L129 HydrophobicContact CD2-CD2 3.34Å; L114-L129 HydrophobicContact CG-CD2 4.01Å; C124-L129 HydrophobicContact CB-CD1 3.64Å; R127-L129 HydrophobicContact CB-CD1 4.34Å; R127-L129 HydrophobicContact CB-CD2 4.3Å; R127-L129 HydrophobicContact CB-CG 3.91Å; R127-L129 PolarHBondContact O-N 3.42Å; L129-P133 HydrophobicContact CD1-CG 4.25Å; L129-N147 HydrophobicContact CB-CB 4.1Å; L129-N147 WeakPolarHBondContact CB-OD1 3.28Å; L129-N147 WeakPolarHBondContact CG-OD1 3.27Å; L129-N147 PolarHBondContact N-OD1 2.86Å; L129-R148 CarbonylContact O-C 3.57Å; L129-R148 VanDerWaalsContact O-CA 3.24Å; L129-R148 WeakPolarHBondContact O-CA 3.03Å; L129-R148 PolarHBondContact O-N 3.09Å; L129-I149 HydrophobicContact CB-CG1 4.31Å; L129-I149 WeakPolarHBondContact O-CG1 3.37Å; L129-I149 PolarHBondContact O-N 3.22Å
130A93.1Very high93.1Very high77 Ų7755 Ų5564%0.63629%0.287SS*.SBendtrans-83.1-20.3176.900000113.3E128 I149E128-A130 PolarHBondContact O-N 2.63Å; A130-I149 WeakPolarHBondContact O-CA 3.26Å
131A93.7Very high93.4Very high52 Ų5256.2 Ų56.243%0.4329%0.286SS..SBendtrans-148.1164-178.600000110.6P133A131-P133 WeakPolarHBondContact O-CD 3.43Å
132V93.6Very high93.4Very high13 Ų1355.2 Ų55.28%0.07928%0.28CS..  trans-66.3122.1174.3-179.90000108.9F142 I149 D156 F157V132-F142 HydrophobicContact CG1-CE1 4Å; V132-F142 HydrophobicContact CG1-CZ 4.18Å; V132-I149 HydrophobicContact CG2-CD1 4.25Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å; V132-D156 HydrophobicContact CB-CB 3.97Å; V132-D156 HydrophobicContact CG1-CB 4.15Å; V132-D156 HydrophobicContact CG2-CB 4.33Å; V132-F157 HydrophobicContact CG1-CE1 3.89Å; V132-F157 HydrophobicContact CG1-CZ 3.94Å; V132-F157 HydrophobicContact CG2-CE2 4.42Å; V132-F157 HydrophobicContact CG2-CZ 3.98Å
133P91.4Very high93.5Very high8 Ų856.8 Ų56.85%0.05229%0.286CS..  trans-72155.5177.830.9-34.6000110.5T105 T111 L129 A131 L135T105-P133 HydrophobicContact CG2-CB 4.4Å; T111-P133 HydrophobicContact CG2-CB 3.93Å; T111-P133 HydrophobicContact CG2-CG 3.87Å; L129-P133 HydrophobicContact CD1-CG 4.25Å; A131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-L135 HydrophobicContact CG-CD2 4.39Å; P133-L135 WeakPolarHBondContact O-CG 3.47Å; P133-L135 PolarHBondContact O-N 2.77Å
134P90.1Very high93.5Very high33 Ų3352.9 Ų52.921%0.21427%0.27CS..  trans-65.3107.7179.529.2-34.2000110.7P103 T105 T111P103-P134 HydrophobicContact CB-CB 3.87Å; P103-P134 HydrophobicContact CG-CB 3.93Å; P103-P134 WeakPolarHBondContact O-CG 3.49Å; T105-P134 HydrophobicContact CG2-CG 3.59Å; T111-P134 WeakPolarHBondContact CB-O 3.45Å; T111-P134 PolarHBondContact OG1-O 2.85Å
135L91.6Very high93.6Very high10 Ų1056.8 Ų56.85%0.05229%0.285CS..  trans-78.7146.5-172.6-60176.2000112.4T111 V122 P133 F142 F157 L160T111-L135 HydrophobicContact CG2-CD2 4.29Å; V122-L135 HydrophobicContact CG1-CD2 4.23Å; P133-L135 HydrophobicContact CG-CD2 4.39Å; P133-L135 WeakPolarHBondContact O-CG 3.47Å; P133-L135 PolarHBondContact O-N 2.77Å; L135-F142 HydrophobicContact CD1-CB 4.24Å; L135-F142 HydrophobicContact CD1-CD1 3.87Å; L135-F142 HydrophobicContact CD1-CD2 4.09Å; L135-F142 HydrophobicContact CD1-CE1 4.19Å; L135-F142 HydrophobicContact CD1-CE2 4.42Å; L135-F142 HydrophobicContact CD1-CG 3.8Å; L135-F142 HydrophobicContact CD1-CZ 4.46Å; L135-F142 HydrophobicContact CD2-CD2 3.68Å; L135-F142 HydrophobicContact CD2-CE2 3.61Å; L135-F142 HydrophobicContact CD2-CG 4.26Å; L135-F142 HydrophobicContact CD2-CZ 4.11Å; L135-F157 HydrophobicContact CD1-CD1 4.01Å; L135-F157 HydrophobicContact CD1-CE1 3.94Å; L135-L160 HydrophobicContact CB-CD1 3.96Å; L135-L160 HydrophobicContact CB-CD2 4.2Å; L135-L160 HydrophobicContact CD1-CD1 3.7Å; L135-L160 HydrophobicContact CG-CD1 4.39Å
136P90.2Very high93.7Very high42 Ų4261.1 Ų61.127%0.27330%0.3SS..  trans-58.4139.9168.8-22.532.2000111.9V122 K138 T139 L160V122-P136 HydrophobicContact CG2-CG 4.44Å; P136-K138 PolarHBondContact O-N 2.84Å; P136-T139 WeakPolarHBondContact CD-OG1 3.34Å; P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 2.92Å; P136-T139 PolarHBondContact O-OG1 3.21Å; P136-L160 WeakPolarHBondContact O-CD2 3.48Å
137K89.5Confident93.8Very high158 Ų15855.6 Ų55.669%0.68727%0.27SS*.THydrogen-bonded Turntrans-59.4-22.6-178-63.5-175.4-178.8-179.50115T139K137-T139 VanDerWaalsContact C-N 3.33Å
138K90Very high94.1Very high165 Ų16556.6 Ų56.672%0.71727%0.274SS*.THydrogen-bonded Turntrans-89.42.9179.8-63.8-176.9179.2179.90113.3T120 P136 M140T120-K138 WeakPolarHBondContact CB-O 3.45Å; T120-K138 WeakPolarHBondContact CG2-O 3.44Å; P136-K138 PolarHBondContact O-N 2.84Å; K138-M140 PolarHBondContact O-N 3.49Å
139T93.9Very high94.3Very high3 Ų351.2 Ų51.22%0.01825%0.249CC..  trans-64.3126.7-178.7-54.20000110.3T120 V122 P136 K137 Y141 F142 L163T120-T139 CarbonylContact O-C 3.12Å; T120-T139 WeakPolarHBondContact O-CA 3.45Å; V122-T139 HydrophobicContact CB-CG2 4.29Å; V122-T139 HydrophobicContact CG2-CG2 3.77Å; P136-T139 WeakPolarHBondContact CD-OG1 3.34Å; P136-T139 VanDerWaalsContact O-CB 3.27Å; P136-T139 WeakPolarHBondContact O-CB 3.44Å; P136-T139 PolarHBondContact O-N 2.92Å; P136-T139 PolarHBondContact O-OG1 3.21Å; K137-T139 VanDerWaalsContact C-N 3.33Å; T139-Y141 WeakPolarHBondContact CG2-O 3.38Å; T139-F142 HydrophobicContact CG2-CB 4.36Å; T139-L163 HydrophobicContact CG2-CD1 3.98Å
140M96.4Very high94.5Very high56 Ų5658.6 Ų58.628%0.27628%0.276SS..  trans-106.2-33.8175.6-68.2178.7178.800111.9T120 K138 N162 K164 R165T120-M140 HydrophobicContact CG2-CE 4.14Å; T120-M140 HydrophobicContact CG2-CG 4.23Å; T120-M140 HydrophobicContact CG2-SD 3.98Å; T120-M140 PolarHBondContact O-N 3.42Å; T120-M140 PolarHBondContact OG1-SD 3.2Å; K138-M140 PolarHBondContact O-N 3.49Å; M140-N162 WeakPolarHBondContact CA-O 3.3Å; M140-N162 HydrophobicContact CE-CB 4.44Å; M140-N162 HydrophobicContact CG-CB 4.03Å; M140-N162 WeakPolarHBondContact CG-O 3.39Å; M140-K164 PolarHBondContact O-N 2.91Å; M140-R165 PolarHBondContact O-N 2.98Å
141Y97.3Very high94.7Very high76 Ų7661.3 Ų61.330%0.29827%0.27SS..EExtended strand (participates in β ladder)trans-130.4127-177.7-56.6-90000108.5T120 T121 V122 T139 K164 R165T120-Y141 PolarHBondContact O-N 3.23Å; T121-Y141 WeakPolarHBondContact CA-O 3.33Å; V122-Y141 PolarHBondContact N-O 3.07Å; T139-Y141 WeakPolarHBondContact CG2-O 3.38Å; Y141-K164 HydrophobicContact CE1-CB 4.42Å; Y141-R165 HydrophobicContact CD1-CB 3.74Å; Y141-R165 HydrophobicContact CE1-CB 4.32Å
142F97.1Very high94.8Very high0 Ų059 Ų590%025%0.25CC..EExtended strand (participates in β ladder)trans-124.4119.1178.3175.9-129.3000110V122 C124 V132 L135 T139 S144 F157 L163 R165 I166 D167 L168V122-F142 HydrophobicContact CB-CD2 4.18Å; V122-F142 HydrophobicContact CG1-CD2 4.22Å; V122-F142 HydrophobicContact CG1-CE2 4.42Å; C124-F142 HydrophobicContact CB-CE2 4.29Å; V132-F142 HydrophobicContact CG1-CE1 4Å; V132-F142 HydrophobicContact CG1-CZ 4.18Å; L135-F142 HydrophobicContact CD1-CB 4.24Å; L135-F142 HydrophobicContact CD1-CD1 3.87Å; L135-F142 HydrophobicContact CD1-CD2 4.09Å; L135-F142 HydrophobicContact CD1-CE1 4.19Å; L135-F142 HydrophobicContact CD1-CE2 4.42Å; L135-F142 HydrophobicContact CD1-CG 3.8Å; L135-F142 HydrophobicContact CD1-CZ 4.46Å; L135-F142 HydrophobicContact CD2-CD2 3.68Å; L135-F142 HydrophobicContact CD2-CE2 3.61Å; L135-F142 HydrophobicContact CD2-CG 4.26Å; L135-F142 HydrophobicContact CD2-CZ 4.11Å; T139-F142 HydrophobicContact CG2-CB 4.36Å; F142-S144 VanDerWaalsContact CZ-CB 3.42Å; F142-F157 AromaticContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CZ 4.3Å; F142-F157 AromaticContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CZ 4.14Å; F142-L163 HydrophobicContact CB-CD1 4.19Å; F142-R165 PolarHBondContact N-O 3.31Å; F142-I166 HydrophobicContact CD1-CG2 4.38Å; F142-D167 PolarHBondContact O-N 3.38Å; F142-L168 HydrophobicContact CD1-CD2 4.39Å; F142-L168 HydrophobicContact CE1-CD2 3.74Å; F142-L168 HydrophobicContact CZ-CD2 4.37Å
143Y97.8Very high94.9Very high36 Ų3662.3 Ų62.314%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-117.5120.3176.4-59.4-84.7000108.5T121 V122 Y123 C124 D167T121-Y143 HydrophobicContact CG2-CD2 3.73Å; T121-Y143 HydrophobicContact CG2-CE2 3.67Å; V122-Y143 PolarHBondContact O-N 3.19Å; Y123-Y143 AromaticContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CD2 3.64Å; Y123-Y143 HydrophobicContact CD1-CE2 4.48Å; Y123-Y143 HydrophobicContact CD1-CG 4.03Å; Y123-Y143 AromaticContact CE1-CD2 3.38Å; Y123-Y143 HydrophobicContact CE1-CD2 3.38Å; Y123-Y143 AromaticContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CE2 3.78Å; Y123-Y143 HydrophobicContact CE1-CG 4.04Å; C124-Y143 PolarHBondContact N-O 2.82Å; Y143-D167 HydrophobicContact CD1-CB 3.64Å; Y143-D167 HydrophobicContact CE1-CB 4.14Å
144S96.6Very high95Very high0 Ų067.3 Ų67.30%029%0.285CS..  trans-141.456.4177.2-168.30000110.1F142 N147 D167 N171F142-S144 VanDerWaalsContact CZ-CB 3.42Å; S144-N147 VanDerWaalsContact C-ND2 3.31Å; S144-N147 PolarHBondContact O-ND2 3.27Å; S144-N147 PolarHBondContact OG-ND2 3.13Å; S144-N147 VanDerWaalsContact OG-ND2 3.1Å; S144-D167 PolarHBondContact N-O 2.89Å; S144-N171 PolarHBondContact O-ND2 3.1Å
145R97.6Very high95.1Very high82 Ų8271 Ų7131%0.30930%0.303SS..  trans-77.6157.4-177.1-54.9170.1-72.1-177.70.4111D125 D126 N147 D167 T169D125-R145 WeakPolarHBondContact CA-O 3.26Å; D125-R145 VanDerWaalsContact OD1-CB 3.22Å; D125-R145 WeakPolarHBondContact OD1-CB 3.44Å; D125-R145 WeakPolarHBondContact OD1-CG 3.32Å; D125-R145 IonicContact OD1-CZ 3.18Å; D125-R145 PolarHBondContact OD1-N 2.98Å; D125-R145 IonicContact OD1-NE 3.75Å; D125-R145 PolarHBondContact OD1-NE 2.03Å; D125-R145 IonicContact OD1-NH2 2.87Å; D125-R145 IonicContact OD2-CZ 3.68Å; D125-R145 IonicContact OD2-NE 3.15Å; D125-R145 PolarHBondContact OD2-NE 2.92Å; D125-R145 IonicContact OD2-NH2 2.64Å; D125-R145 PolarHBondContact OD2-NH2 3.36Å; D126-R145 PolarHBondContact N-O 3.35Å; R145-N147 PolarHBondContact O-N 3.25Å; R145-N147 PolarHBondContact O-ND2 3.28Å; R145-D167 WeakPolarHBondContact CG-OD1 3.28Å; R145-T169 CarbonylContact C-O 3.59Å; R145-T169 WeakPolarHBondContact CA-O 3.17Å
146Y97.5Very high95.2Very high127 Ų12772 Ų7250%0.49831%0.308SS..SBendtrans55.439.8174.7-49.2-72.3000113.2T169 A170Y146-T169 PolarHBondContact N-O 3.18Å; Y146-A170 VanDerWaalsContact CA-O 3.22Å; Y146-A170 WeakPolarHBondContact CA-O 3.43Å; Y146-A170 HydrophobicContact CD1-CB 3.38Å; Y146-A170 HydrophobicContact CE1-CB 3.52Å; Y146-A170 HydrophobicContact CG-CB 4.25Å; Y146-A170 PolarHBondContact N-O 3.38Å
147N96.6Very high95.4Very high4 Ų470.1 Ų70.12%0.02130%0.296CS..  trans-108.6-173.1176.1-79.3-78.3000110.4C124 R127 E128 L129 S144 R145 I149 N171C124-N147 PolarHBondContact O-ND2 3.08Å; R127-N147 WeakPolarHBondContact CA-OD1 3.25Å; R127-N147 PolarHBondContact N-OD1 3.5Å; E128-N147 PolarHBondContact N-OD1 3.08Å; E128-N147 VanDerWaalsContact N-OD1 3.15Å; L129-N147 HydrophobicContact CB-CB 4.1Å; L129-N147 WeakPolarHBondContact CB-OD1 3.28Å; L129-N147 WeakPolarHBondContact CG-OD1 3.27Å; L129-N147 PolarHBondContact N-OD1 2.86Å; S144-N147 VanDerWaalsContact C-ND2 3.31Å; S144-N147 PolarHBondContact O-ND2 3.27Å; S144-N147 PolarHBondContact OG-ND2 3.13Å; S144-N147 VanDerWaalsContact OG-ND2 3.1Å; R145-N147 PolarHBondContact O-N 3.25Å; R145-N147 PolarHBondContact O-ND2 3.28Å; N147-I149 HydrophobicContact CB-CD1 4.45Å; N147-I149 HydrophobicContact CB-CG1 4.22Å; N147-N171 WeakPolarHBondContact CA-OD1 2.88Å; N147-N171 WeakPolarHBondContact CB-OD1 3.42Å; N147-N171 PolarHBondContact O-OD1 2.92Å
148R97.1Very high95.3Very high119 Ų11963.7 Ų63.745%0.44927%0.272SS..  trans-111.526.9-178-56.3-172.7179.1141.37.7112.2E128 L129 R150 F172E128-R148 VanDerWaalsContact CD-CZ 3.41Å; E128-R148 IonicContact OE1-CZ 2.75Å; E128-R148 IonicContact OE1-NH1 2.93Å; E128-R148 IonicContact OE1-NH2 3.79Å; E128-R148 PolarHBondContact OE1-NH2 3.41Å; E128-R148 IonicContact OE2-CZ 3.52Å; E128-R148 IonicContact OE2-NH1 3.77Å; E128-R148 PolarHBondContact OE2-NH1 3.32Å; E128-R148 IonicContact OE2-NH2 3.44Å; E128-R148 PolarHBondContact OE2-NH2 3.4Å; L129-R148 CarbonylContact O-C 3.57Å; L129-R148 VanDerWaalsContact O-CA 3.24Å; L129-R148 WeakPolarHBondContact O-CA 3.03Å; L129-R148 PolarHBondContact O-N 3.09Å; R148-R150 PolarHBondContact O-N 2.74Å; R148-F172 HydrophobicContact CB-CD2 4.15Å; R148-F172 HydrophobicContact CB-CE2 4.34Å; R148-F172 HydrophobicContact CG-CD2 4.41Å; R148-F172 HydrophobicContact CG-CE2 4.09Å
149I97.1Very high95.1Very high0 Ų061.6 Ų61.60%027%0.269CS..  trans-67.3126.5-176.2-58.5172.5000108.6L129 A130 V132 N147 L168 N171 F172 I173L129-I149 HydrophobicContact CB-CG1 4.31Å; L129-I149 WeakPolarHBondContact O-CG1 3.37Å; L129-I149 PolarHBondContact O-N 3.22Å; A130-I149 WeakPolarHBondContact O-CA 3.26Å; V132-I149 HydrophobicContact CG2-CD1 4.25Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å; N147-I149 HydrophobicContact CB-CD1 4.45Å; N147-I149 HydrophobicContact CB-CG1 4.22Å; I149-L168 HydrophobicContact CD1-CD2 4.12Å; I149-N171 HydrophobicContact CB-CB 4.38Å; I149-N171 WeakPolarHBondContact CB-OD1 3.03Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.32Å; I149-N171 PolarHBondContact N-OD1 3.33Å; I149-N171 VanDerWaalsContact N-OD1 3.09Å; I149-F172 CarbonylContact O-C 3.56Å; I149-F172 WeakPolarHBondContact O-CA 3.39Å; I149-F172 PolarHBondContact O-N 2.98Å; I149-I173 HydrophobicContact CB-CG1 4.29Å; I149-I173 HydrophobicContact CG2-CG1 4.03Å; I149-I173 WeakPolarHBondContact O-CG1 3Å; I149-I173 PolarHBondContact O-N 3.3Å
150R96.4Very high95Very high170 Ų17061.8 Ų61.864%0.64227%0.27SS*.  trans-105.2-28.6-177-64.4-175.4-179.4-168.10.3114.1R148 F172 I173 S174R148-R150 PolarHBondContact O-N 2.74Å; R150-F172 WeakPolarHBondContact CA-O 3.29Å; R150-F172 HydrophobicContact CG-CB 4.25Å; R150-I173 WeakPolarHBondContact O-CA 3.12Å; R150-S174 PolarHBondContact O-N 2.83Å
151R96.5Very high94.8Very high134 Ų13462 Ų6251%0.50628%0.277SS..EExtended strand (participates in β ladder)trans-142.4146.3-172.8-59.2-171.9168158.9-8.7110.4E175R151-E175 VanDerWaalsContact CA-O 3.3Å; R151-E175 WeakPolarHBondContact CA-O 3.39Å; R151-E175 HydrophobicContact CG-CB 4.17Å; R151-E175 IonicContact CZ-OE1 2.59Å; R151-E175 IonicContact CZ-OE2 3.48Å; R151-E175 VanDerWaalsContact CZ-OE2 3.27Å; R151-E175 IonicContact NE-OE1 2.75Å; R151-E175 PolarHBondContact NE-OE1 3.34Å; R151-E175 IonicContact NE-OE2 3.94Å; R151-E175 PolarHBondContact NE-OE2 3.2Å; R151-E175 IonicContact NH2-OE1 3.88Å; R151-E175 PolarHBondContact NH2-OE1 3.23Å; R151-E175 IonicContact NH2-OE2 3.09Å; R151-E175 PolarHBondContact NH2-OE2 2.95Å
152I97.1Very high94.7Very high2 Ų261 Ų611%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-115.2118.4169.4-60.3176.4000108.2D156 F157 L168 I173 E175 I176 H177 A180 F181 L192I152-D156 WeakPolarHBondContact CA-OD2 3.48Å; I152-D156 HydrophobicContact CG2-CB 4.46Å; I152-F157 HydrophobicContact CD1-CE2 4.39Å; I152-F157 HydrophobicContact CG2-CD2 4.06Å; I152-F157 HydrophobicContact CG2-CE2 3.67Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L168 HydrophobicContact CG1-CD1 4.44Å; I152-I173 HydrophobicContact CD1-CD1 4.1Å; I152-I173 HydrophobicContact CD1-CG2 4.32Å; I152-I173 HydrophobicContact CG1-CD1 4.46Å; I152-I173 HydrophobicContact CG1-CG2 4.28Å; I152-E175 PolarHBondContact N-O 3.22Å; I152-I176 HydrophobicContact CB-CG1 4.39Å; I152-I176 HydrophobicContact CB-CG2 4.11Å; I152-I176 HydrophobicContact CD1-CD1 4.32Å; I152-I176 HydrophobicContact CD1-CG1 4.19Å; I152-I176 HydrophobicContact CG1-CG1 4.49Å; I152-I176 HydrophobicContact CG2-CG2 4.36Å; I152-H177 PolarHBondContact O-N 3.29Å; I152-A180 HydrophobicContact CG2-CB 3.84Å; I152-F181 HydrophobicContact CD1-CZ 3.81Å; I152-F181 HydrophobicContact CG2-CZ 4.46Å; I152-L192 HydrophobicContact CD1-CD2 4.43Å
153N95.4Very high94.7Very high83 Ų8361 Ų6144%0.44428%0.276SS..  trans-89.3164.1179.1-48.7-65.8000111.6N155 D156N153-N155 PolarHBondContact O-N 3Å; N153-D156 WeakPolarHBondContact CB-OD1 3.43Å; N153-D156 PolarHBondContact N-OD2 2.85Å; N153-D156 PolarHBondContact ND2-OD1 3.48Å; N153-D156 PolarHBondContact ND2-OD2 2.9Å; N153-D156 PolarHBondContact O-N 3.47Å
154R94.1Very high94.7Very high114 Ų11462.2 Ų62.243%0.4328%0.283SS..THydrogen-bonded Turntrans-53.4-30.7177.9-168.7179.3-166.3-159.96.7114.4H177 D179R154-H177 HydrophobicContact CB-CB 4.48Å; R154-D179 HydrophobicContact CG-CB 4.06Å; R154-D179 IonicContact CZ-OD2 2.94Å; R154-D179 IonicContact NE-OD2 2.73Å; R154-D179 PolarHBondContact NE-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 3.2Å; R154-D179 PolarHBondContact NH2-OD2 3.35Å
155N92.3Very high94.7Very high111 Ų11165.2 Ų65.259%0.59429%0.294SS*.THydrogen-bonded Turntrans-105-5.2-170.3-66-28.3000114N153 F157 A158N153-N155 PolarHBondContact O-N 3Å; N155-F157 PolarHBondContact O-N 3.31Å; N155-A158 HydrophobicContact CB-CB 4.33Å; N155-A158 WeakPolarHBondContact O-CB 3.12Å; N155-A158 PolarHBondContact O-N 3.35Å; N155-A158 VanDerWaalsContact O-N 3.1Å
156D93.3Very high94.8Very high30 Ų3061.3 Ų61.316%0.1628%0.279CS..THydrogen-bonded Turntrans-60.9-34.9-176.1-68.3-2.8000111.7V132 I152 N153V132-D156 HydrophobicContact CB-CB 3.97Å; V132-D156 HydrophobicContact CG1-CB 4.15Å; V132-D156 HydrophobicContact CG2-CB 4.33Å; I152-D156 WeakPolarHBondContact CA-OD2 3.48Å; I152-D156 HydrophobicContact CG2-CB 4.46Å; N153-D156 WeakPolarHBondContact CB-OD1 3.43Å; N153-D156 PolarHBondContact N-OD2 2.85Å; N153-D156 PolarHBondContact ND2-OD1 3.48Å; N153-D156 PolarHBondContact ND2-OD2 2.9Å; N153-D156 PolarHBondContact O-N 3.47Å
157F93.8Very high94.8Very high2 Ų255.7 Ų55.71%0.00926%0.258CS..THydrogen-bonded Turntrans-111.814.3176.1-55.8-70.1000113.4V132 L135 F142 I152 N155 L160 L163 I166 L168 F181 L184V132-F157 HydrophobicContact CG1-CE1 3.89Å; V132-F157 HydrophobicContact CG1-CZ 3.94Å; V132-F157 HydrophobicContact CG2-CE2 4.42Å; V132-F157 HydrophobicContact CG2-CZ 3.98Å; L135-F157 HydrophobicContact CD1-CD1 4.01Å; L135-F157 HydrophobicContact CD1-CE1 3.94Å; F142-F157 AromaticContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CE1 3.72Å; F142-F157 HydrophobicContact CD1-CZ 4.3Å; F142-F157 AromaticContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CE1 3.84Å; F142-F157 HydrophobicContact CE1-CZ 4.14Å; I152-F157 HydrophobicContact CD1-CE2 4.39Å; I152-F157 HydrophobicContact CG2-CD2 4.06Å; I152-F157 HydrophobicContact CG2-CE2 3.67Å; N155-F157 PolarHBondContact O-N 3.31Å; F157-L160 HydrophobicContact CB-CD1 4.22Å; F157-L160 HydrophobicContact CD1-CD1 4.03Å; F157-L163 HydrophobicContact CD1-CD2 3.94Å; F157-I166 HydrophobicContact CD1-CD1 4.1Å; F157-I166 HydrophobicContact CD2-CD1 4.41Å; F157-I166 HydrophobicContact CE1-CD1 4.11Å; F157-I166 HydrophobicContact CE1-CG1 4.46Å; F157-I166 HydrophobicContact CE2-CD1 4.41Å; F157-I166 HydrophobicContact CG-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CG2 4.26Å; F157-L168 HydrophobicContact CZ-CD1 4.31Å; F157-F181 HydrophobicContact CD2-CD1 4.08Å; F157-F181 AromaticContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CE2-CD1 4.46Å; F157-F181 AromaticContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CZ 4.41Å; F157-L184 HydrophobicContact CB-CD1 4.09Å; F157-L184 HydrophobicContact CB-CD2 4.19Å; F157-L184 WeakPolarHBondContact O-CD2 3.26Å
158A88.4Confident94.9Very high23 Ų2355.5 Ų55.519%0.1926%0.257CS..THydrogen-bonded Turntrans-65.4141.6-178.300000111.5N155 L160N155-A158 HydrophobicContact CB-CB 4.33Å; N155-A158 WeakPolarHBondContact O-CB 3.12Å; N155-A158 PolarHBondContact O-N 3.35Å; N155-A158 VanDerWaalsContact O-N 3.1Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.66Å
159N84.7Confident94.9Very high122 Ų12250.1 Ų50.165%0.65224%0.237SC*.THydrogen-bonded Turntrans65.519177.3-48.5-43.7000115.3S161N159-S161 PolarHBondContact O-N 3.17Å
160L92.2Very high95Very high6 Ų651 Ų513%0.03125%0.245CC..  trans-94.375.4172.9-58.9177.3000110.7L135 P136 F157 A158 N162 L163 L184L135-L160 HydrophobicContact CB-CD1 3.96Å; L135-L160 HydrophobicContact CB-CD2 4.2Å; L135-L160 HydrophobicContact CD1-CD1 3.7Å; L135-L160 HydrophobicContact CG-CD1 4.39Å; P136-L160 WeakPolarHBondContact O-CD2 3.48Å; F157-L160 HydrophobicContact CB-CD1 4.22Å; F157-L160 HydrophobicContact CD1-CD1 4.03Å; A158-L160 VanDerWaalsContact C-N 3.26Å; A158-L160 PolarHBondContact O-N 2.66Å; L160-N162 PolarHBondContact O-N 2.89Å; L160-L163 HydrophobicContact CB-CB 4.04Å; L160-L163 HydrophobicContact CB-CD2 4.32Å; L160-L163 HydrophobicContact CD1-CD2 3.96Å; L160-L163 PolarHBondContact O-N 2.67Å; L160-L184 HydrophobicContact CB-CD2 4.14Å; L160-L184 WeakPolarHBondContact O-CD2 3.4Å
161S91.9Very high95.1Very high62 Ų6243.1 Ų43.143%0.43422%0.215SC..THydrogen-bonded Turntrans-68-19.3-173.461.60000114.8N159 Q186N159-S161 PolarHBondContact O-N 3.17Å; S161-Q186 WeakPolarHBondContact O-CG 3.29Å; S161-Q186 PolarHBondContact O-OE1 2.9Å
162N94.5Very high95.1Very high53 Ų5340.6 Ų40.628%0.28321%0.208SC..THydrogen-bonded Turntrans-102.92.4-176-56.7-59.2000113.4M140 L160 K164M140-N162 WeakPolarHBondContact CA-O 3.3Å; M140-N162 HydrophobicContact CE-CB 4.44Å; M140-N162 HydrophobicContact CG-CB 4.03Å; M140-N162 WeakPolarHBondContact CG-O 3.39Å; L160-N162 PolarHBondContact O-N 2.89Å; N162-K164 PolarHBondContact O-N 2.98Å
163L97Very high95.2Very high0 Ų040.5 Ų40.50%021%0.208CC..  trans-70.6118.8-174.5-164.767.5000109.7T139 F142 F157 L160 I166 L184 Q186 L187T139-L163 HydrophobicContact CG2-CD1 3.98Å; F142-L163 HydrophobicContact CB-CD1 4.19Å; F157-L163 HydrophobicContact CD1-CD2 3.94Å; L160-L163 HydrophobicContact CB-CB 4.04Å; L160-L163 HydrophobicContact CB-CD2 4.32Å; L160-L163 HydrophobicContact CD1-CD2 3.96Å; L160-L163 PolarHBondContact O-N 2.67Å; L163-I166 HydrophobicContact CD2-CD1 3.59Å; L163-I166 HydrophobicContact CD2-CG1 3.6Å; L163-I166 HydrophobicContact CG-CD1 4.48Å; L163-I166 HydrophobicContact CG-CG1 4.08Å; L163-L184 HydrophobicContact CB-CD2 4.42Å; L163-L184 HydrophobicContact CD2-CD1 4.21Å; L163-L184 HydrophobicContact CD2-CD2 4.25Å; L163-Q186 CarbonylContact O-C 3.23Å; L163-L187 HydrophobicContact CG-CD1 4.46Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.28Å; L163-L187 PolarHBondContact O-N 3.15Å
164K97.8Very high95.2Very high62 Ų6238.6 Ų38.627%0.2720%0.2SC..  trans-104.8-34.9-178.3-65-173.3178.7-176.20112.8M140 Y141 N162 Q186 Q188 E189M140-K164 PolarHBondContact O-N 2.91Å; Y141-K164 HydrophobicContact CE1-CB 4.42Å; N162-K164 PolarHBondContact O-N 2.98Å; K164-Q186 WeakPolarHBondContact CA-O 3.2Å; K164-Q188 PolarHBondContact O-N 2.75Å; K164-E189 PolarHBondContact O-N 2.93Å
165R98.1Very high95.3Very high63 Ų6337.7 Ų37.724%0.23820%0.201CC..EExtended strand (participates in β ladder)trans-137134.9-177.1-179.4168.5179.5142.19.6111.9M140 Y141 F142 E189M140-R165 PolarHBondContact O-N 2.98Å; Y141-R165 HydrophobicContact CD1-CB 3.74Å; Y141-R165 HydrophobicContact CE1-CB 4.32Å; F142-R165 PolarHBondContact N-O 3.31Å; R165-E189 WeakPolarHBondContact CA-O 3.21Å; R165-E189 HydrophobicContact CB-CB 4.14Å; R165-E189 WeakPolarHBondContact CD-OE2 3.19Å; R165-E189 HydrophobicContact CG-CB 3.88Å; R165-E189 IonicContact CZ-OE2 3.83Å; R165-E189 IonicContact NE-OE2 2.77Å; R165-E189 PolarHBondContact NE-OE2 3.09Å; R165-E189 IonicContact NH1-OE1 3.98Å; R165-E189 IonicContact NH1-OE2 3.76Å; R165-E189 PolarHBondContact NH1-OE2 3.15Å; R165-E189 IonicContact NH2-OE2 3.71Å
166I98.1Very high95.5Very high0 Ų033.6 Ų33.60%018%0.179CC..EExtended strand (participates in β ladder)trans-122.8123.9170.3-62.9170.7000107.9F142 F157 L163 L168 F181 L184 L187 E189 L190 V191F142-I166 HydrophobicContact CD1-CG2 4.38Å; F157-I166 HydrophobicContact CD1-CD1 4.1Å; F157-I166 HydrophobicContact CD2-CD1 4.41Å; F157-I166 HydrophobicContact CE1-CD1 4.11Å; F157-I166 HydrophobicContact CE1-CG1 4.46Å; F157-I166 HydrophobicContact CE2-CD1 4.41Å; F157-I166 HydrophobicContact CG-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CD1 4.26Å; F157-I166 HydrophobicContact CZ-CG2 4.26Å; L163-I166 HydrophobicContact CD2-CD1 3.59Å; L163-I166 HydrophobicContact CD2-CG1 3.6Å; L163-I166 HydrophobicContact CG-CD1 4.48Å; L163-I166 HydrophobicContact CG-CG1 4.08Å; I166-L168 HydrophobicContact CG2-CD1 3.93Å; I166-L168 HydrophobicContact CG2-CG 3.81Å; I166-F181 HydrophobicContact CD1-CD1 3.96Å; I166-F181 HydrophobicContact CD1-CE1 3.84Å; I166-L184 HydrophobicContact CD1-CD1 4.04Å; I166-L187 HydrophobicContact CD1-CD1 3.79Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.8Å; I166-E189 PolarHBondContact N-O 2.96Å; I166-L190 HydrophobicContact CB-CD1 4.08Å; I166-L190 HydrophobicContact CG2-CD1 4.17Å; I166-V191 PolarHBondContact O-N 2.83Å
167D98.5Very high95.7Very high9 Ų936.2 Ų36.25%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-124.5110.3173.1-171.1-17000110.3F142 Y143 S144 R145 T169 V191F142-D167 PolarHBondContact O-N 3.38Å; Y143-D167 HydrophobicContact CD1-CB 3.64Å; Y143-D167 HydrophobicContact CE1-CB 4.14Å; S144-D167 PolarHBondContact N-O 2.89Å; R145-D167 WeakPolarHBondContact CG-OD1 3.28Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.33Å; D167-T169 PolarHBondContact OD1-N 3.29Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; D167-V191 HydrophobicContact CB-CB 4.33Å
168L98.1Very high95.7Very high0 Ų040.7 Ų40.70%021%0.211CC..  trans-119.732.2178.2-58.1172.9000111F142 I149 I152 F157 I166 N171 I173 V191 L192 N195F142-L168 HydrophobicContact CD1-CD2 4.39Å; F142-L168 HydrophobicContact CE1-CD2 3.74Å; F142-L168 HydrophobicContact CZ-CD2 4.37Å; I149-L168 HydrophobicContact CD1-CD2 4.12Å; I152-L168 HydrophobicContact CD1-CD1 3.6Å; I152-L168 HydrophobicContact CG1-CD1 4.44Å; F157-L168 HydrophobicContact CZ-CD1 4.31Å; I166-L168 HydrophobicContact CG2-CD1 3.93Å; I166-L168 HydrophobicContact CG2-CG 3.81Å; L168-N171 PolarHBondContact O-ND2 3.4Å; L168-I173 HydrophobicContact CB-CD1 3.76Å; L168-I173 HydrophobicContact CD1-CD1 3.79Å; L168-I173 HydrophobicContact CG-CD1 4.37Å; L168-V191 PolarHBondContact N-O 3.04Å; L168-L192 HydrophobicContact CB-CD2 4.03Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; L168-L192 HydrophobicContact CG-CD2 4.4Å; L168-N195 PolarHBondContact O-ND2 2.73Å
169T98.5Very high95.9Very high7 Ų740.9 Ų40.94%0.04321%0.209CC..  trans-52.8142.8179-59.80000111.9R145 Y146 D167 N171 V191 R193R145-T169 CarbonylContact C-O 3.59Å; R145-T169 WeakPolarHBondContact CA-O 3.17Å; Y146-T169 PolarHBondContact N-O 3.18Å; D167-T169 VanDerWaalsContact OD1-CB 3.3Å; D167-T169 WeakPolarHBondContact OD1-CB 3.33Å; D167-T169 PolarHBondContact OD1-N 3.29Å; D167-T169 PolarHBondContact OD1-OG1 2.97Å; T169-N171 PolarHBondContact O-N 3.41Å; T169-N171 PolarHBondContact O-ND2 2.96Å; T169-V191 WeakPolarHBondContact OG1-CG1 3.21Å; T169-R193 CarbonylContact C-O 3.01Å; T169-R193 VanDerWaalsContact CA-O 3.28Å; T169-R193 WeakPolarHBondContact CA-O 3.37Å; T169-R193 HydrophobicContact CG2-CB 4.13Å
170A98.1Very high96.4Very high19 Ų1935.3 Ų35.316%0.15718%0.18CC..SBendtrans5653.8174.300000112.7Y146 R193 E194Y146-A170 VanDerWaalsContact CA-O 3.22Å; Y146-A170 WeakPolarHBondContact CA-O 3.43Å; Y146-A170 HydrophobicContact CD1-CB 3.38Å; Y146-A170 HydrophobicContact CE1-CB 3.52Å; Y146-A170 HydrophobicContact CG-CB 4.25Å; Y146-A170 PolarHBondContact N-O 3.38Å; A170-R193 PolarHBondContact N-O 2.58Å; A170-E194 VanDerWaalsContact CA-O 3.26Å; A170-E194 WeakPolarHBondContact CA-O 3.07Å; A170-E194 HydrophobicContact CB-CB 4.29Å; A170-E194 PolarHBondContact N-O 3.3Å
171N98.3Very high96.5Very high4 Ų435 Ų352%0.02118%0.178CC..  trans-114.5-171.8170.3-85.8-89.1000109.6S144 N147 I149 L168 T169 I173 E194 N195S144-N171 PolarHBondContact O-ND2 3.1Å; N147-N171 WeakPolarHBondContact CA-OD1 2.88Å; N147-N171 WeakPolarHBondContact CB-OD1 3.42Å; N147-N171 PolarHBondContact O-OD1 2.92Å; I149-N171 HydrophobicContact CB-CB 4.38Å; I149-N171 WeakPolarHBondContact CB-OD1 3.03Å; I149-N171 WeakPolarHBondContact CG1-OD1 3.32Å; I149-N171 PolarHBondContact N-OD1 3.33Å; I149-N171 VanDerWaalsContact N-OD1 3.09Å; L168-N171 PolarHBondContact O-ND2 3.4Å; T169-N171 PolarHBondContact O-N 3.41Å; T169-N171 PolarHBondContact O-ND2 2.96Å; N171-I173 HydrophobicContact CB-CD1 4.01Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; N171-E194 PolarHBondContact N-O 2.96Å; N171-N195 VanDerWaalsContact CA-OD1 3.3Å; N171-N195 WeakPolarHBondContact CA-OD1 3.35Å; N171-N195 WeakPolarHBondContact CB-OD1 3.35Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.48Å
172F97.9Very high96.3Very high81 Ų8139.1 Ų39.136%0.35518%0.184SC..  trans-110.930.3176.4-59.3-58.8000112.2R148 I149 R150 S174R148-F172 HydrophobicContact CB-CD2 4.15Å; R148-F172 HydrophobicContact CB-CE2 4.34Å; R148-F172 HydrophobicContact CG-CD2 4.41Å; R148-F172 HydrophobicContact CG-CE2 4.09Å; I149-F172 CarbonylContact O-C 3.56Å; I149-F172 WeakPolarHBondContact O-CA 3.39Å; I149-F172 PolarHBondContact O-N 2.98Å; R150-F172 WeakPolarHBondContact CA-O 3.29Å; R150-F172 HydrophobicContact CG-CB 4.25Å; F172-S174 PolarHBondContact O-N 3.3Å; F172-S174 VanDerWaalsContact O-N 3.14Å
173I98.3Very high96Very high0 Ų042.6 Ų42.60%019%0.193CC..  trans-66.1117.2-172.9-60159.4000108.7I149 R150 I152 L168 N171 I176 L192 N195 R196 I197I149-I173 HydrophobicContact CB-CG1 4.29Å; I149-I173 HydrophobicContact CG2-CG1 4.03Å; I149-I173 WeakPolarHBondContact O-CG1 3Å; I149-I173 PolarHBondContact O-N 3.3Å; R150-I173 WeakPolarHBondContact O-CA 3.12Å; I152-I173 HydrophobicContact CD1-CD1 4.1Å; I152-I173 HydrophobicContact CD1-CG2 4.32Å; I152-I173 HydrophobicContact CG1-CD1 4.46Å; I152-I173 HydrophobicContact CG1-CG2 4.28Å; L168-I173 HydrophobicContact CB-CD1 3.76Å; L168-I173 HydrophobicContact CD1-CD1 3.79Å; L168-I173 HydrophobicContact CG-CD1 4.37Å; N171-I173 HydrophobicContact CB-CD1 4.01Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.66Å; I173-L192 HydrophobicContact CD1-CD2 4.25Å; I173-N195 HydrophobicContact CB-CB 4.31Å; I173-N195 VanDerWaalsContact CB-OD1 3.3Å; I173-N195 WeakPolarHBondContact CB-OD1 3.28Å; I173-N195 WeakPolarHBondContact CD1-OD1 3.43Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.37Å; I173-N195 PolarHBondContact N-OD1 3.43Å; I173-R196 CarbonylContact O-C 3.56Å; I173-R196 VanDerWaalsContact O-CA 3.31Å; I173-R196 WeakPolarHBondContact O-CA 3.24Å; I173-R196 PolarHBondContact O-N 3.2Å; I173-I197 HydrophobicContact CB-CG1 4.4Å; I173-I197 HydrophobicContact CG2-CG1 4.13Å; I173-I197 WeakPolarHBondContact O-CG1 3.49Å; I173-I197 PolarHBondContact O-N 3.22Å; I173-I197 VanDerWaalsContact O-N 3.14Å
174S96.4Very high95.8Very high42 Ų4242.7 Ų42.729%0.29419%0.194SC..  trans-114.9-25.3178.360.90000113.3R150 F172R150-S174 PolarHBondContact O-N 2.83Å; F172-S174 PolarHBondContact O-N 3.3Å; F172-S174 VanDerWaalsContact O-N 3.14Å
175E95.4Very high95.6Very high96 Ų9643.6 Ų43.645%0.44921%0.206SC..EExtended strand (participates in β ladder)trans-130.4129.4-177.9-63.3166.7-140.500109.7R151 I152R151-E175 VanDerWaalsContact CA-O 3.3Å; R151-E175 WeakPolarHBondContact CA-O 3.39Å; R151-E175 HydrophobicContact CG-CB 4.17Å; R151-E175 IonicContact CZ-OE1 2.59Å; R151-E175 IonicContact CZ-OE2 3.48Å; R151-E175 VanDerWaalsContact CZ-OE2 3.27Å; R151-E175 IonicContact NE-OE1 2.75Å; R151-E175 PolarHBondContact NE-OE1 3.34Å; R151-E175 IonicContact NE-OE2 3.94Å; R151-E175 PolarHBondContact NE-OE2 3.2Å; R151-E175 IonicContact NH2-OE1 3.88Å; R151-E175 PolarHBondContact NH2-OE1 3.23Å; R151-E175 IonicContact NH2-OE2 3.09Å; R151-E175 PolarHBondContact NH2-OE2 2.95Å; I152-E175 PolarHBondContact N-O 3.22Å
176I96.9Very high95.5Very high25 Ų2544.6 Ų44.613%0.12821%0.213CC..EExtended strand (participates in β ladder)trans-126.6128.8175.2-56175.1000107I152 I173 A180 F181 L192 I197 P201I152-I176 HydrophobicContact CB-CG1 4.39Å; I152-I176 HydrophobicContact CB-CG2 4.11Å; I152-I176 HydrophobicContact CD1-CD1 4.32Å; I152-I176 HydrophobicContact CD1-CG1 4.19Å; I152-I176 HydrophobicContact CG1-CG1 4.49Å; I152-I176 HydrophobicContact CG2-CG2 4.36Å; I173-I176 HydrophobicContact CG2-CD1 4.05Å; I173-I176 HydrophobicContact CG2-CG1 3.66Å; I176-A180 HydrophobicContact CG2-CB 3.96Å; I176-F181 HydrophobicContact CG2-CE2 3.89Å; I176-F181 HydrophobicContact CG2-CZ 4.4Å; I176-L192 HydrophobicContact CD1-CD1 3.99Å; I176-I197 HydrophobicContact CD1-CD1 3.77Å; I176-I197 HydrophobicContact CD1-CG1 4.03Å; I176-I197 HydrophobicContact CD1-CG2 4.26Å; I176-P201 HydrophobicContact CB-CG 4.48Å; I176-P201 HydrophobicContact CG2-CB 3.88Å; I176-P201 HydrophobicContact CG2-CG 3.73Å
177H96.4Very high95.5Very high84 Ų8444.6 Ų44.639%0.38921%0.213SC..  trans-65.2139175.5-171.7-70.6000110.8I152 R154 D179 A180I152-H177 PolarHBondContact O-N 3.29Å; R154-H177 HydrophobicContact CB-CB 4.48Å; H177-D179 PolarHBondContact ND1-N 2.96Å; H177-D179 VanDerWaalsContact ND1-N 3.19Å; H177-D179 PolarHBondContact O-N 3.31Å; H177-A180 HydrophobicContact CB-CB 4.34Å; H177-A180 WeakPolarHBondContact O-CB 3.3Å; H177-A180 PolarHBondContact O-N 3.01Å
178E93.7Very high95.4Very high96 Ų9648 Ų4845%0.44923%0.229SC..THydrogen-bonded Turntrans-53.1-46.7-175-173176.4-176.900113.4A180 P201 E202 R223E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.47Å; E178-P201 WeakPolarHBondContact O-CB 3.43Å; E178-E202 HydrophobicContact CG-CG 3.99Å; E178-E202 PolarHBondContact O-N 2.95Å; E178-R223 IonicContact OE1-CZ 3.38Å; E178-R223 IonicContact OE1-NH1 2.77Å; E178-R223 PolarHBondContact OE1-NH1 3Å; E178-R223 IonicContact OE1-NH2 3.43Å
179D93.1Very high95.5Very high27 Ų2750.3 Ų50.314%0.14424%0.24CC..THydrogen-bonded Turntrans-82.25.9177.9-82.6-28000115.5R154 H177 F181 R182R154-D179 HydrophobicContact CG-CB 4.06Å; R154-D179 IonicContact CZ-OD2 2.94Å; R154-D179 IonicContact NE-OD2 2.73Å; R154-D179 PolarHBondContact NE-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 3.2Å; R154-D179 PolarHBondContact NH2-OD2 3.35Å; H177-D179 PolarHBondContact ND1-N 2.96Å; H177-D179 VanDerWaalsContact ND1-N 3.19Å; H177-D179 PolarHBondContact O-N 3.31Å; D179-F181 VanDerWaalsContact C-N 3.32Å; D179-F181 PolarHBondContact O-N 2.94Å; D179-R182 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact OD1-CD 3.47Å; D179-R182 IonicContact OD1-NH1 3.61Å; D179-R182 PolarHBondContact OD1-NH1 2.97Å
180A95.1Very high95.5Very high5 Ų550 Ų504%0.04124%0.238CC..THydrogen-bonded Turntrans-58.6-39.4-168.300000113.8I152 I176 H177 E178I152-A180 HydrophobicContact CG2-CB 3.84Å; I176-A180 HydrophobicContact CG2-CB 3.96Å; H177-A180 HydrophobicContact CB-CB 4.34Å; H177-A180 WeakPolarHBondContact O-CB 3.3Å; H177-A180 PolarHBondContact O-N 3.01Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.47Å
181F94.6Very high95.5Very high0 Ų049.5 Ų49.50%023%0.233CC..THydrogen-bonded Turntrans-105.6-8.2-177.5-54-59.2000114I152 F157 I166 I176 D179 R183 L184 L187 L190 P201I152-F181 HydrophobicContact CD1-CZ 3.81Å; I152-F181 HydrophobicContact CG2-CZ 4.46Å; F157-F181 HydrophobicContact CD2-CD1 4.08Å; F157-F181 AromaticContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CD2-CE1 3.69Å; F157-F181 HydrophobicContact CE2-CD1 4.46Å; F157-F181 AromaticContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CE1 3.63Å; F157-F181 HydrophobicContact CE2-CZ 4.41Å; I166-F181 HydrophobicContact CD1-CD1 3.96Å; I166-F181 HydrophobicContact CD1-CE1 3.84Å; I176-F181 HydrophobicContact CG2-CE2 3.89Å; I176-F181 HydrophobicContact CG2-CZ 4.4Å; D179-F181 VanDerWaalsContact C-N 3.32Å; D179-F181 PolarHBondContact O-N 2.94Å; F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 3.32Å; F181-R183 VanDerWaalsContact O-N 3.16Å; F181-L184 HydrophobicContact CB-CD1 4.26Å; F181-L184 HydrophobicContact CD1-CD1 3.99Å; F181-L184 WeakPolarHBondContact O-CB 3.28Å; F181-L184 PolarHBondContact O-N 3.49Å; F181-L187 HydrophobicContact CB-CD2 4.38Å; F181-L190 HydrophobicContact CD2-CD2 4.07Å; F181-L190 HydrophobicContact CE1-CD1 4.15Å; F181-L190 HydrophobicContact CE2-CD1 4.29Å; F181-L190 HydrophobicContact CE2-CD2 3.99Å; F181-L190 HydrophobicContact CZ-CD1 3.95Å; F181-L190 HydrophobicContact CZ-CD2 4.49Å; F181-P201 HydrophobicContact CD2-CB 4.47Å; F181-P201 HydrophobicContact CD2-CG 3.54Å; F181-P201 HydrophobicContact CE2-CG 3.73Å
182R88.6Confident95.5Very high148 Ų14849.3 Ų49.356%0.55823%0.232SC*.THydrogen-bonded Turntrans-58.8-33.3-171.9-173.5179.2177.1-1572.3114D179 L184 E202D179-R182 PolarHBondContact O-N 3.42Å; D179-R182 WeakPolarHBondContact OD1-CD 3.47Å; D179-R182 IonicContact OD1-NH1 3.61Å; D179-R182 PolarHBondContact OD1-NH1 2.97Å; R182-L184 PolarHBondContact O-N 3.11Å; R182-E202 WeakPolarHBondContact CD-OE2 3.32Å; R182-E202 IonicContact NE-OE2 3.41Å
183R86.6Confident95.5Very high126 Ų12649.1 Ų49.148%0.47523%0.229SC..THydrogen-bonded Turntrans-95.626-175.8-66.9-174.7-69.3168.3-1113.7F181 P185F181-R183 VanDerWaalsContact C-N 3.26Å; F181-R183 PolarHBondContact O-N 3.32Å; F181-R183 VanDerWaalsContact O-N 3.16Å; R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.2Å
184L94.3Very high95.5Very high3 Ų352.7 Ų52.72%0.01625%0.246CC..  trans-108.491.9179.1-61.5174.1000110F157 L160 L163 I166 F181 R182 Q186 L187F157-L184 HydrophobicContact CB-CD1 4.09Å; F157-L184 HydrophobicContact CB-CD2 4.19Å; F157-L184 WeakPolarHBondContact O-CD2 3.26Å; L160-L184 HydrophobicContact CB-CD2 4.14Å; L160-L184 WeakPolarHBondContact O-CD2 3.4Å; L163-L184 HydrophobicContact CB-CD2 4.42Å; L163-L184 HydrophobicContact CD2-CD1 4.21Å; L163-L184 HydrophobicContact CD2-CD2 4.25Å; I166-L184 HydrophobicContact CD1-CD1 4.04Å; F181-L184 HydrophobicContact CB-CD1 4.26Å; F181-L184 HydrophobicContact CD1-CD1 3.99Å; F181-L184 WeakPolarHBondContact O-CB 3.28Å; F181-L184 PolarHBondContact O-N 3.49Å; R182-L184 PolarHBondContact O-N 3.11Å; L184-Q186 PolarHBondContact O-N 3.02Å; L184-Q186 VanDerWaalsContact O-N 3.15Å; L184-L187 HydrophobicContact CB-CB 3.81Å; L184-L187 HydrophobicContact CD1-CB 4.48Å; L184-L187 HydrophobicContact CD1-CD2 3.9Å; L184-L187 PolarHBondContact O-N 2.95Å
185P93Very high95.6Very high81 Ų8151.2 Ų51.253%0.52623%0.234SC..THydrogen-bonded Turntrans-75-3.5-168.632.3-38.2000114.4R183 T206R183-P185 VanDerWaalsContact O-CD 3.31Å; R183-P185 WeakPolarHBondContact O-CD 3.2Å; P185-T206 WeakPolarHBondContact O-CG2 3.5Å
186Q95.9Very high95.7Very high83 Ų8352.2 Ų52.239%0.38823%0.234SC..THydrogen-bonded Turntrans-129.59.6-178.2-64.3-164.4-33.400112.5S161 L163 K164 L184 Q188S161-Q186 WeakPolarHBondContact O-CG 3.29Å; S161-Q186 PolarHBondContact O-OE1 2.9Å; L163-Q186 CarbonylContact O-C 3.23Å; K164-Q186 WeakPolarHBondContact CA-O 3.2Å; L184-Q186 PolarHBondContact O-N 3.02Å; L184-Q186 VanDerWaalsContact O-N 3.15Å; Q186-Q188 PolarHBondContact O-N 3.44Å
187L97.4Very high95.8Very high0 Ų051 Ų510%023%0.228CC..  trans-71.4119.1-177.7-172.272.1000109.5L163 I166 F181 L184 P204 T206 L207L163-L187 HydrophobicContact CG-CD1 4.46Å; L163-L187 VanDerWaalsContact O-CA 3.29Å; L163-L187 WeakPolarHBondContact O-CA 3.28Å; L163-L187 PolarHBondContact O-N 3.15Å; I166-L187 HydrophobicContact CD1-CD1 3.79Å; I166-L187 HydrophobicContact CD1-CD2 4.25Å; I166-L187 HydrophobicContact CG1-CD1 3.8Å; F181-L187 HydrophobicContact CB-CD2 4.38Å; L184-L187 HydrophobicContact CB-CB 3.81Å; L184-L187 HydrophobicContact CD1-CB 4.48Å; L184-L187 HydrophobicContact CD1-CD2 3.9Å; L184-L187 PolarHBondContact O-N 2.95Å; L187-P204 HydrophobicContact CB-CG 4.19Å; L187-P204 HydrophobicContact CD2-CG 3.99Å; L187-T206 PolarHBondContact N-OG1 3.49Å; L187-T206 CarbonylContact O-C 3.1Å; L187-T206 WeakPolarHBondContact O-CB 3.49Å; L187-T206 VanDerWaalsContact O-O 3.12Å; L187-T206 PolarHBondContact O-OG1 3.02Å; L187-L207 HydrophobicContact CD2-CD2 3.92Å; L187-L207 HydrophobicContact CG-CD2 3.83Å; L187-L207 PolarHBondContact O-N 2.59Å
188Q97.9Very high95.7Very high81 Ų8155 Ų5538%0.37924%0.24SC..  trans-108.3-38.3-177.3-70.2173.7-21.200111.1K164 Q186 L207 T208 L209K164-Q188 PolarHBondContact O-N 2.75Å; Q186-Q188 PolarHBondContact O-N 3.44Å; Q188-L207 CarbonylContact O-C 3.19Å; Q188-L207 WeakPolarHBondContact O-CA 3.22Å; Q188-L207 WeakPolarHBondContact O-CD2 3.26Å; Q188-T208 PolarHBondContact O-N 2.87Å; Q188-T208 PolarHBondContact O-OG1 3.22Å; Q188-T208 VanDerWaalsContact O-OG1 3.11Å; Q188-L209 PolarHBondContact O-N 3.16Å
189E98.5Very high95.8Very high48 Ų4855.9 Ų55.922%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-127.2123.9-173.1-59.3-175.8-144.200111.4K164 R165 I166 L209K164-E189 PolarHBondContact O-N 2.93Å; R165-E189 WeakPolarHBondContact CA-O 3.21Å; R165-E189 HydrophobicContact CB-CB 4.14Å; R165-E189 WeakPolarHBondContact CD-OE2 3.19Å; R165-E189 HydrophobicContact CG-CB 3.88Å; R165-E189 IonicContact CZ-OE2 3.83Å; R165-E189 IonicContact NE-OE2 2.77Å; R165-E189 PolarHBondContact NE-OE2 3.09Å; R165-E189 IonicContact NH1-OE1 3.98Å; R165-E189 IonicContact NH1-OE2 3.76Å; R165-E189 PolarHBondContact NH1-OE2 3.15Å; R165-E189 IonicContact NH2-OE2 3.71Å; I166-E189 PolarHBondContact N-O 2.96Å; E189-L209 HydrophobicContact CG-CB 4.15Å
190L98.4Very high95.9Very high1 Ų155 Ų551%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-123.1110.7175.6179.762000109.8I166 F181 L192 L203 L207 L209 D211I166-L190 HydrophobicContact CB-CD1 4.08Å; I166-L190 HydrophobicContact CG2-CD1 4.17Å; F181-L190 HydrophobicContact CD2-CD2 4.07Å; F181-L190 HydrophobicContact CE1-CD1 4.15Å; F181-L190 HydrophobicContact CE2-CD1 4.29Å; F181-L190 HydrophobicContact CE2-CD2 3.99Å; F181-L190 HydrophobicContact CZ-CD1 3.95Å; F181-L190 HydrophobicContact CZ-CD2 4.49Å; L190-L192 HydrophobicContact CD1-CD1 4.03Å; L190-L192 HydrophobicContact CD1-CD2 4.2Å; L190-L192 HydrophobicContact CD1-CG 3.92Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CG-CD1 3.94Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L190-L203 HydrophobicContact CD2-CD2 3.79Å; L190-L207 HydrophobicContact CB-CD2 3.87Å; L190-L209 PolarHBondContact N-O 3.24Å; L190-D211 PolarHBondContact O-N 2.71Å
191V98.6Very high95.9Very high8 Ų855.2 Ų55.25%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-114.1112.4178.9-174.30000109.2I166 D167 L168 T169 R193 L209 D211I166-V191 PolarHBondContact O-N 2.83Å; D167-V191 HydrophobicContact CB-CB 4.33Å; L168-V191 PolarHBondContact N-O 3.04Å; T169-V191 WeakPolarHBondContact OG1-CG1 3.21Å; V191-R193 HydrophobicContact CG1-CB 4.23Å; V191-L209 HydrophobicContact CG2-CD2 4.02Å; V191-D211 HydrophobicContact CG1-CB 4.27Å
192L98.2Very high95.9Very high0 Ų058.2 Ų58.20%025%0.254CS..  trans-125.125.8-179.9-61.7169.7000111.1I152 L168 I173 I176 L190 N195 I197 D211 V212 N215I152-L192 HydrophobicContact CD1-CD2 4.43Å; L168-L192 HydrophobicContact CB-CD2 4.03Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; L168-L192 HydrophobicContact CG-CD2 4.4Å; I173-L192 HydrophobicContact CD1-CD2 4.25Å; I176-L192 HydrophobicContact CD1-CD1 3.99Å; L190-L192 HydrophobicContact CD1-CD1 4.03Å; L190-L192 HydrophobicContact CD1-CD2 4.2Å; L190-L192 HydrophobicContact CD1-CG 3.92Å; L190-L192 HydrophobicContact CD2-CD1 3.96Å; L190-L192 HydrophobicContact CG-CD1 3.94Å; L190-L192 HydrophobicContact CG-CG 4.05Å; L192-N195 PolarHBondContact O-ND2 2.86Å; L192-I197 HydrophobicContact CB-CD1 3.64Å; L192-I197 HydrophobicContact CD1-CD1 3.82Å; L192-I197 HydrophobicContact CD2-CD1 4.49Å; L192-I197 HydrophobicContact CG-CD1 4.19Å; L192-D211 PolarHBondContact N-O 2.75Å; L192-V212 HydrophobicContact CB-CG1 4.27Å; L192-V212 HydrophobicContact CD1-CG1 4.34Å; L192-N215 PolarHBondContact O-ND2 2.62Å
193R98.3Very high96.2Very high77 Ų7752.3 Ų52.329%0.29123%0.233SC..  trans-56.8147.3-179-170.2176.676.394.213.7112T169 A170 V191 N195 S213T169-R193 CarbonylContact C-O 3.01Å; T169-R193 VanDerWaalsContact CA-O 3.28Å; T169-R193 WeakPolarHBondContact CA-O 3.37Å; T169-R193 HydrophobicContact CG2-CB 4.13Å; A170-R193 PolarHBondContact N-O 2.58Å; V191-R193 HydrophobicContact CG1-CB 4.23Å; R193-N195 PolarHBondContact O-ND2 3.04Å; R193-N195 VanDerWaalsContact O-ND2 3.11Å; R193-S213 CarbonylContact C-O 3.2Å; R193-S213 VanDerWaalsContact CA-O 3.3Å; R193-S213 WeakPolarHBondContact CA-O 3.33Å
194E98.3Very high96.5Very high76 Ų7646.9 Ų46.936%0.35521%0.214SC..SBendtrans55.556.4177.1-69.9171.4-144.900112.6A170 N171 S213 N214A170-E194 VanDerWaalsContact CA-O 3.26Å; A170-E194 WeakPolarHBondContact CA-O 3.07Å; A170-E194 HydrophobicContact CB-CB 4.29Å; A170-E194 PolarHBondContact N-O 3.3Å; N171-E194 PolarHBondContact N-O 2.96Å; E194-S213 PolarHBondContact N-O 2.91Å; E194-N214 WeakPolarHBondContact CA-O 3.3Å; E194-N214 HydrophobicContact CG-CB 3.92Å
195N98.5Very high96.5Very high10 Ų1049.9 Ų49.95%0.05324%0.236CC..SBendtrans-125.4-163.9175.9-85.8-80.9000110.5L168 N171 I173 L192 R193 I197 N214 N215L168-N195 PolarHBondContact O-ND2 2.73Å; N171-N195 VanDerWaalsContact CA-OD1 3.3Å; N171-N195 WeakPolarHBondContact CA-OD1 3.35Å; N171-N195 WeakPolarHBondContact CB-OD1 3.35Å; N171-N195 PolarHBondContact N-OD1 3.29Å; N171-N195 PolarHBondContact O-OD1 3.48Å; I173-N195 HydrophobicContact CB-CB 4.31Å; I173-N195 VanDerWaalsContact CB-OD1 3.3Å; I173-N195 WeakPolarHBondContact CB-OD1 3.28Å; I173-N195 WeakPolarHBondContact CD1-OD1 3.43Å; I173-N195 WeakPolarHBondContact CG1-OD1 3.37Å; I173-N195 PolarHBondContact N-OD1 3.43Å; L192-N195 PolarHBondContact O-ND2 2.86Å; R193-N195 PolarHBondContact O-ND2 3.04Å; R193-N195 VanDerWaalsContact O-ND2 3.11Å; N195-I197 HydrophobicContact CB-CD1 4.09Å; N195-I197 HydrophobicContact CB-CG1 4.04Å; N195-N214 PolarHBondContact N-O 3.15Å; N195-N215 VanDerWaalsContact CA-OD1 3.29Å; N195-N215 WeakPolarHBondContact CA-OD1 3.32Å; N195-N215 WeakPolarHBondContact CB-OD1 3.25Å; N195-N215 PolarHBondContact O-OD1 2.78Å
196R97.9Very high96.7Very high117 Ų11748 Ų4844%0.44222%0.222SC..  trans-12329.4179.8-59.6-179.6-177.7179.81.6111.4I173 R198 N215I173-R196 CarbonylContact O-C 3.56Å; I173-R196 VanDerWaalsContact O-CA 3.31Å; I173-R196 WeakPolarHBondContact O-CA 3.24Å; I173-R196 PolarHBondContact O-N 3.2Å; R196-R198 PolarHBondContact O-N 2.94Å; R196-N215 PolarHBondContact N-OD1 3.48Å
197I97.7Very high96.8Very high1 Ų144 Ų441%0.00520%0.204CC..  trans-68.5128.5-172.9-60.4164.8000108.9I173 I176 L192 N195 Q199 L200 N215 R216 L217I173-I197 HydrophobicContact CB-CG1 4.4Å; I173-I197 HydrophobicContact CG2-CG1 4.13Å; I173-I197 WeakPolarHBondContact O-CG1 3.49Å; I173-I197 PolarHBondContact O-N 3.22Å; I173-I197 VanDerWaalsContact O-N 3.14Å; I176-I197 HydrophobicContact CD1-CD1 3.77Å; I176-I197 HydrophobicContact CD1-CG1 4.03Å; I176-I197 HydrophobicContact CD1-CG2 4.26Å; L192-I197 HydrophobicContact CB-CD1 3.64Å; L192-I197 HydrophobicContact CD1-CD1 3.82Å; L192-I197 HydrophobicContact CD2-CD1 4.49Å; L192-I197 HydrophobicContact CG-CD1 4.19Å; N195-I197 HydrophobicContact CB-CD1 4.09Å; N195-I197 HydrophobicContact CB-CG1 4.04Å; I197-Q199 VanDerWaalsContact CG2-O 3.25Å; I197-Q199 WeakPolarHBondContact CG2-O 3.23Å; I197-L200 HydrophobicContact CG2-CD2 4.43Å; I197-N215 HydrophobicContact CB-CB 4.36Å; I197-N215 VanDerWaalsContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.37Å; I197-N215 PolarHBondContact N-OD1 2.94Å; I197-R216 CarbonylContact O-C 3.51Å; I197-R216 WeakPolarHBondContact O-CA 3.44Å; I197-R216 PolarHBondContact O-N 2.9Å; I197-L217 HydrophobicContact CG2-CD2 4.04Å; I197-L217 PolarHBondContact O-N 3.14Å
198R95.9Very high96.8Very high168 Ų16845.5 Ų45.563%0.63421%0.213SC*.  trans-102.6-22.6176.7-64.6-178.7-178.9-179.1-0.6113.1R196 R216 G221R196-R198 PolarHBondContact O-N 2.94Å; R198-R216 HydrophobicContact CG-CB 4.37Å; R198-G221 WeakPolarHBondContact O-CA 3.38Å
199Q95.9Very high96.8Very high114 Ų11443.2 Ų43.253%0.53320%0.203SC..SBendtrans-145.5134.6-177.5-172.7177.73.600110.8I197 G221I197-Q199 VanDerWaalsContact CG2-O 3.25Å; I197-Q199 WeakPolarHBondContact CG2-O 3.23Å; Q199-G221 CarbonylContact C-O 3.42Å; Q199-G221 VanDerWaalsContact CA-O 3.28Å; Q199-G221 WeakPolarHBondContact CA-O 3.32Å
200L95.3Very high96.8Very high9 Ų941 Ų415%0.04719%0.193CC..  trans-80.7140.1173.1-65.3-177.6000111.1I197 V212 L217 G221 I222 F227I197-L200 HydrophobicContact CG2-CD2 4.43Å; L200-V212 HydrophobicContact CD2-CB 4.4Å; L200-V212 HydrophobicContact CD2-CG1 3.85Å; L200-V212 HydrophobicContact CD2-CG2 4.5Å; L200-L217 HydrophobicContact CD1-CD1 4.36Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L200-L217 HydrophobicContact CD2-CD2 4.12Å; L200-L217 HydrophobicContact CG-CD1 4.16Å; L200-L217 HydrophobicContact CG-CD2 3.9Å; L200-G221 PolarHBondContact N-O 3.06Å; L200-I222 HydrophobicContact CD1-CD1 4.33Å; L200-I222 HydrophobicContact CD1-CG1 3.99Å; L200-I222 HydrophobicContact CG-CG1 4.47Å; L200-F227 HydrophobicContact CD1-CE1 4.33Å; L200-F227 HydrophobicContact CD1-CZ 3.97Å
201P94.6Very high96.8Very high9 Ų942.1 Ų42.16%0.05820%0.199CC..  trans-75.9-177.4172.936.5-39.7000111.5I176 E178 F181 L203I176-P201 HydrophobicContact CB-CG 4.48Å; I176-P201 HydrophobicContact CG2-CB 3.88Å; I176-P201 HydrophobicContact CG2-CG 3.73Å; E178-P201 WeakPolarHBondContact O-CB 3.43Å; F181-P201 HydrophobicContact CD2-CB 4.47Å; F181-P201 HydrophobicContact CD2-CG 3.54Å; F181-P201 HydrophobicContact CE2-CG 3.73Å; P201-L203 HydrophobicContact CG-CD2 4.46Å
202E93.8Very high96.8Very high62 Ų6241.8 Ų41.829%0.2920%0.197SC..  trans-69.6131.8166.5-70.5-171.8176.700110.3E178 R182 R223E178-E202 HydrophobicContact CG-CG 3.99Å; E178-E202 PolarHBondContact O-N 2.95Å; R182-E202 WeakPolarHBondContact CD-OE2 3.32Å; R182-E202 IonicContact NE-OE2 3.41Å; E202-R223 IonicContact OE1-CZ 3.5Å; E202-R223 IonicContact OE1-NH1 2.74Å; E202-R223 PolarHBondContact OE1-NH1 3.49Å; E202-R223 VanDerWaalsContact OE1-NH1 3.15Å
203L94.6Very high96.8Very high24 Ų2442.1 Ų42.113%0.12620%0.199CC..  trans-104.5136.6-173.7-66.2173.7000110.2L190 P201 L207 I210 F227 L230L190-L203 HydrophobicContact CD2-CD2 3.79Å; P201-L203 HydrophobicContact CG-CD2 4.46Å; L203-L207 HydrophobicContact CB-CD1 3.91Å; L203-L207 HydrophobicContact CD2-CD1 3.93Å; L203-L207 HydrophobicContact CG-CD1 4.37Å; L203-I210 HydrophobicContact CD1-CD1 3.7Å; L203-F227 HydrophobicContact CD1-CD1 4.16Å; L203-F227 HydrophobicContact CD1-CE1 3.79Å; L203-L230 HydrophobicContact CB-CD1 4.28Å; L203-L230 HydrophobicContact CB-CD2 4.25Å; L203-L230 HydrophobicContact CD1-CD1 4.19Å
204P94.2Very high96.8Very high12 Ų1241.3 Ų41.38%0.07820%0.201CC..  trans-70.5143175.426.8-31.8000111.4L187 T206 L207 L230L187-P204 HydrophobicContact CB-CG 4.19Å; L187-P204 HydrophobicContact CD2-CG 3.99Å; P204-T206 PolarHBondContact O-N 3Å; P204-L207 HydrophobicContact CG-CD1 4.04Å; P204-L207 HydrophobicContact CG-CG 4.06Å; P204-L207 PolarHBondContact O-N 3.06Å; P204-L230 VanDerWaalsContact O-CD2 3.29Å; P204-L230 WeakPolarHBondContact O-CD2 3.22Å
205S94.4Very high96.8Very high67 Ų6738.2 Ų38.247%0.46919%0.186SC..THydrogen-bonded Turntrans-64.9-10.6-178.455.30000115.4L207 D229S205-L207 VanDerWaalsContact C-N 3.31Å; S205-D229 VanDerWaalsContact CB-O 3.27Å; S205-D229 WeakPolarHBondContact CB-O 3.36Å
206T96.1Very high96.8Very high40 Ų4043.8 Ų43.825%0.24521%0.207CC..THydrogen-bonded Turntrans-82.2-6.9-179.956.40000113.9P185 L187 P204 T208P185-T206 WeakPolarHBondContact O-CG2 3.5Å; L187-T206 PolarHBondContact N-OG1 3.49Å; L187-T206 CarbonylContact O-C 3.1Å; L187-T206 WeakPolarHBondContact O-CB 3.49Å; L187-T206 VanDerWaalsContact O-O 3.12Å; L187-T206 PolarHBondContact O-OG1 3.02Å; P204-T206 PolarHBondContact O-N 3Å; T206-T208 PolarHBondContact O-N 3.3Å
207L97.6Very high96.7Very high0 Ų038.2 Ų38.20%019%0.186CC..  trans-67.1129.8-178.8-77167.5000111.3L187 Q188 L190 L203 P204 S205 I210 E232 L233L187-L207 HydrophobicContact CD2-CD2 3.92Å; L187-L207 HydrophobicContact CG-CD2 3.83Å; L187-L207 PolarHBondContact O-N 2.59Å; Q188-L207 CarbonylContact O-C 3.19Å; Q188-L207 WeakPolarHBondContact O-CA 3.22Å; Q188-L207 WeakPolarHBondContact O-CD2 3.26Å; L190-L207 HydrophobicContact CB-CD2 3.87Å; L203-L207 HydrophobicContact CB-CD1 3.91Å; L203-L207 HydrophobicContact CD2-CD1 3.93Å; L203-L207 HydrophobicContact CG-CD1 4.37Å; P204-L207 HydrophobicContact CG-CD1 4.04Å; P204-L207 HydrophobicContact CG-CG 4.06Å; P204-L207 PolarHBondContact O-N 3.06Å; S205-L207 VanDerWaalsContact C-N 3.31Å; L207-I210 HydrophobicContact CB-CD1 4.46Å; L207-I210 HydrophobicContact CB-CG1 4.33Å; L207-I210 HydrophobicContact CD1-CD1 4.05Å; L207-I210 HydrophobicContact CD1-CG1 4Å; L207-E232 CarbonylContact O-C 3.57Å; L207-L233 VanDerWaalsContact O-CA 3.24Å; L207-L233 WeakPolarHBondContact O-CA 3.21Å; L207-L233 PolarHBondContact O-N 3.11Å
208T98.3Very high96.5Very high31 Ų3139.1 Ų39.119%0.1920%0.195CC..SBendtrans-104.9-28.5173.860.40000111.9Q188 T206 E232 Q234 Y235Q188-T208 PolarHBondContact O-N 2.87Å; Q188-T208 PolarHBondContact O-OG1 3.22Å; Q188-T208 VanDerWaalsContact O-OG1 3.11Å; T206-T208 PolarHBondContact O-N 3.3Å; T208-E232 WeakPolarHBondContact CA-O 3.21Å; T208-E232 HydrophobicContact CG2-CB 4.19Å; T208-Q234 PolarHBondContact O-N 3.1Å; T208-Y235 PolarHBondContact O-N 2.63Å
209L98.6Very high96.2Very high34 Ų3439.7 Ų39.718%0.17820%0.197CC..EExtended strand (participates in β ladder)trans-135.3129.2178.9-176.2152.9000111.2Q188 E189 L190 V191 D211 Y235 Y237Q188-L209 PolarHBondContact O-N 3.16Å; E189-L209 HydrophobicContact CG-CB 4.15Å; L190-L209 PolarHBondContact N-O 3.24Å; V191-L209 HydrophobicContact CG2-CD2 4.02Å; L209-D211 HydrophobicContact CD2-CB 4.21Å; L209-Y235 WeakPolarHBondContact CA-O 3.42Å; L209-Y235 HydrophobicContact CB-CD2 4.49Å; L209-Y235 HydrophobicContact CD1-CD2 4.44Å; L209-Y235 HydrophobicContact CD1-CG 4.4Å; L209-Y237 HydrophobicContact CD1-CE2 4.29Å; L209-Y237 HydrophobicContact CG-CE2 4.4Å
210I98.4Very high96Very high1 Ų145.2 Ų45.21%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-126120.7170.7-62.3164000108L203 L207 V212 F227 L230 L233 Y235 L236 Y237L203-I210 HydrophobicContact CD1-CD1 3.7Å; L207-I210 HydrophobicContact CB-CD1 4.46Å; L207-I210 HydrophobicContact CB-CG1 4.33Å; L207-I210 HydrophobicContact CD1-CD1 4.05Å; L207-I210 HydrophobicContact CD1-CG1 4Å; I210-V212 HydrophobicContact CG2-CG1 3.83Å; I210-F227 HydrophobicContact CD1-CD1 4.4Å; I210-F227 HydrophobicContact CD1-CE1 4.21Å; I210-L230 HydrophobicContact CD1-CD1 3.77Å; I210-L233 HydrophobicContact CB-CD1 4.33Å; I210-L233 HydrophobicContact CD1-CD1 3.58Å; I210-L233 HydrophobicContact CD1-CD2 4.07Å; I210-L233 HydrophobicContact CG1-CD1 3.74Å; I210-Y235 PolarHBondContact N-O 2.76Å; I210-L236 HydrophobicContact CB-CD1 3.86Å; I210-L236 HydrophobicContact CD1-CD1 4.43Å; I210-L236 HydrophobicContact CG2-CD1 3.96Å; I210-Y237 PolarHBondContact O-N 2.81Å
211D98.6Very high95.8Very high25 Ų2544.9 Ų44.913%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-121.1109.9170.3-176.41.3000109.9L190 V191 L192 L209 S213 Y237L190-D211 PolarHBondContact O-N 2.71Å; V191-D211 HydrophobicContact CG1-CB 4.27Å; L192-D211 PolarHBondContact N-O 2.75Å; L209-D211 HydrophobicContact CD2-CB 4.21Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.77Å; D211-S213 PolarHBondContact OD1-OG 2.74Å; D211-Y237 HydrophobicContact CB-CD2 4.11Å
212V98.1Very high95.8Very high1 Ų144.9 Ų44.91%0.00621%0.212CC..  trans-122.627.6176.8-60.10000110.5L192 L200 I210 N215 L217 Y237 I238 N241L192-V212 HydrophobicContact CB-CG1 4.27Å; L192-V212 HydrophobicContact CD1-CG1 4.34Å; L200-V212 HydrophobicContact CD2-CB 4.4Å; L200-V212 HydrophobicContact CD2-CG1 3.85Å; L200-V212 HydrophobicContact CD2-CG2 4.5Å; I210-V212 HydrophobicContact CG2-CG1 3.83Å; V212-N215 WeakPolarHBondContact O-CB 3.14Å; V212-N215 PolarHBondContact O-ND2 2.98Å; V212-L217 HydrophobicContact CB-CD1 4.11Å; V212-L217 HydrophobicContact CG2-CD1 3.6Å; V212-Y237 WeakPolarHBondContact CG2-O 3.34Å; V212-Y237 PolarHBondContact N-O 2.87Å; V212-I238 HydrophobicContact CG2-CB 4.18Å; V212-I238 HydrophobicContact CG2-CG1 3.76Å; V212-I238 HydrophobicContact CG2-CG2 3.97Å; V212-N241 PolarHBondContact O-ND2 3.43Å
213S98.4Very high95.7Very high7 Ų747 Ų475%0.04922%0.217CC..  trans-64153.8-179.6-48.40000111.9R193 E194 D211 N215 Y237 T239R193-S213 CarbonylContact C-O 3.2Å; R193-S213 VanDerWaalsContact CA-O 3.3Å; R193-S213 WeakPolarHBondContact CA-O 3.33Å; E194-S213 PolarHBondContact N-O 2.91Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 2.77Å; D211-S213 PolarHBondContact OD1-OG 2.74Å; S213-N215 PolarHBondContact O-N 2.88Å; S213-N215 PolarHBondContact O-ND2 3.15Å; S213-N215 VanDerWaalsContact O-ND2 3.15Å; S213-Y237 WeakPolarHBondContact OG-CB 3.42Å; S213-T239 CarbonylContact C-O 3.47Å; S213-T239 WeakPolarHBondContact CA-O 3.3Å
214N98.4Very high95.4Very high60 Ų6052.9 Ų52.932%0.32125%0.248SC..SBendtrans56.153.4179.7-5483.5000111.8E194 N195 T239 D240E194-N214 WeakPolarHBondContact CA-O 3.3Å; E194-N214 HydrophobicContact CG-CB 3.92Å; N195-N214 PolarHBondContact N-O 3.15Å; N214-T239 PolarHBondContact N-O 2.86Å; N214-D240 VanDerWaalsContact CA-O 3.26Å; N214-D240 WeakPolarHBondContact CA-O 3.18Å; N214-D240 HydrophobicContact CB-CB 4.38Å; N214-D240 PolarHBondContact N-O 3Å; N214-D240 VanDerWaalsContact ND2-CB 3.33Å; N214-D240 WeakPolarHBondContact ND2-CB 3.03Å; N214-D240 PolarHBondContact ND2-OD2 2.98Å
215N98.3Very high95.3Very high10 Ų1057.1 Ų57.15%0.05327%0.267CS..SBendtrans-123-161.2176-87.4-78.6000110L192 N195 R196 I197 V212 S213 L217 D240 N241L192-N215 PolarHBondContact O-ND2 2.62Å; N195-N215 VanDerWaalsContact CA-OD1 3.29Å; N195-N215 WeakPolarHBondContact CA-OD1 3.32Å; N195-N215 WeakPolarHBondContact CB-OD1 3.25Å; N195-N215 PolarHBondContact O-OD1 2.78Å; R196-N215 PolarHBondContact N-OD1 3.48Å; I197-N215 HydrophobicContact CB-CB 4.36Å; I197-N215 VanDerWaalsContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CB-OD1 3.29Å; I197-N215 WeakPolarHBondContact CG1-OD1 3.37Å; I197-N215 PolarHBondContact N-OD1 2.94Å; V212-N215 WeakPolarHBondContact O-CB 3.14Å; V212-N215 PolarHBondContact O-ND2 2.98Å; S213-N215 PolarHBondContact O-N 2.88Å; S213-N215 PolarHBondContact O-ND2 3.15Å; S213-N215 VanDerWaalsContact O-ND2 3.15Å; N215-L217 HydrophobicContact CB-CG 4.46Å; N215-D240 PolarHBondContact N-O 2.89Å; N215-N241 WeakPolarHBondContact CA-OD1 3.44Å; N215-N241 WeakPolarHBondContact CB-OD1 3.48Å; N215-N241 PolarHBondContact O-OD1 3.23Å
216R97.3Very high95.2Very high128 Ų12855.4 Ų55.448%0.48326%0.257SS..  trans-126.235.2-179-56.7-176.3-173.8-1550.9110.8I197 R198 G218 N241I197-R216 CarbonylContact O-C 3.51Å; I197-R216 WeakPolarHBondContact O-CA 3.44Å; I197-R216 PolarHBondContact O-N 2.9Å; R198-R216 HydrophobicContact CG-CB 4.37Å; R216-G218 PolarHBondContact O-N 3.42Å; R216-N241 PolarHBondContact N-OD1 3.31Å
217L96.9Very high95.1Very high0 Ų053.6 Ų53.60%025%0.246CC..  trans-69.9116178.4-65.8169.8000108.7I197 L200 V212 N215 I238 N241 N242 L243I197-L217 HydrophobicContact CG2-CD2 4.04Å; I197-L217 PolarHBondContact O-N 3.14Å; L200-L217 HydrophobicContact CD1-CD1 4.36Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L200-L217 HydrophobicContact CD2-CD2 4.12Å; L200-L217 HydrophobicContact CG-CD1 4.16Å; L200-L217 HydrophobicContact CG-CD2 3.9Å; V212-L217 HydrophobicContact CB-CD1 4.11Å; V212-L217 HydrophobicContact CG2-CD1 3.6Å; N215-L217 HydrophobicContact CB-CG 4.46Å; L217-I238 HydrophobicContact CD1-CG2 3.93Å; L217-N241 HydrophobicContact CB-CB 4.27Å; L217-N241 VanDerWaalsContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CG-OD1 3.48Å; L217-N241 PolarHBondContact N-OD1 2.97Å; L217-N242 CarbonylContact O-C 3.12Å; L217-N242 VanDerWaalsContact O-CA 3.25Å; L217-N242 WeakPolarHBondContact O-CA 3.31Å; L217-N242 PolarHBondContact O-N 2.85Å; L217-L243 HydrophobicContact CB-CD2 4.15Å; L217-L243 PolarHBondContact O-N 3.05Å
218G93.4Very high94.9Very high20 Ų2057.9 Ų57.921%0.20627%0.265CS..  trans-105.2-167.3173.800000112.4R216 R220 G221 N242R216-G218 PolarHBondContact O-N 3.42Å; G218-R220 PolarHBondContact O-N 2.95Å; G218-G221 WeakPolarHBondContact O-CA 3.22Å; G218-G221 PolarHBondContact O-N 3.27Å; G218-N242 WeakPolarHBondContact CA-O 3.02Å
219R89.6Confident94.6Very high179 Ų17961.3 Ų61.368%0.67528%0.282SS*.THydrogen-bonded Turntrans-45-41.8177.3-170.9-179.7-177.5170.10115.2D244 H245R219-D244 WeakPolarHBondContact CA-OD1 3.5Å; R219-D244 WeakPolarHBondContact CB-OD1 3.46Å; R219-D244 WeakPolarHBondContact CB-OD2 3.46Å; R219-D244 VanDerWaalsContact CD-OD2 3.23Å; R219-D244 WeakPolarHBondContact CD-OD2 3.08Å; R219-D244 VanDerWaalsContact CG-OD1 3.32Å; R219-D244 WeakPolarHBondContact CG-OD1 3.47Å; R219-D244 WeakPolarHBondContact CG-OD2 3.39Å; R219-D244 IonicContact NE-OD2 3.98Å; R219-H245 PolarHBondContact O-CE1 3.23Å
220R90.7Very high94.4Very high230 Ų23059.8 Ų59.887%0.86827%0.274SS*.THydrogen-bonded Turntrans-952.1-178.2-63.9-175.7-68.5-176.2-2.4113.3G218 I222G218-R220 PolarHBondContact O-N 2.95Å; R220-I222 VanDerWaalsContact C-N 3.35Å
221G90.8Very high94.3Very high2 Ų265.7 Ų65.72%0.02130%0.301CS..THydrogen-bonded Turntrans-77.4-23.2-175.900000113.2R198 Q199 L200 G218R198-G221 WeakPolarHBondContact O-CA 3.38Å; Q199-G221 CarbonylContact C-O 3.42Å; Q199-G221 VanDerWaalsContact CA-O 3.28Å; Q199-G221 WeakPolarHBondContact CA-O 3.32Å; L200-G221 PolarHBondContact N-O 3.06Å; G218-G221 WeakPolarHBondContact O-CA 3.22Å; G218-G221 PolarHBondContact O-N 3.27Å
222I94.8Very high94.2Very high9 Ų969.9 Ų69.95%0.04632%0.32CS..SBendtrans-116.5126.5176.7-53.6-178.3000107.2L200 R220 A226 F227 I238 L243 P247L200-I222 HydrophobicContact CD1-CD1 4.33Å; L200-I222 HydrophobicContact CD1-CG1 3.99Å; L200-I222 HydrophobicContact CG-CG1 4.47Å; R220-I222 VanDerWaalsContact C-N 3.35Å; I222-A226 HydrophobicContact CG2-CB 3.77Å; I222-F227 HydrophobicContact CD1-CE2 4.23Å; I222-F227 HydrophobicContact CD1-CZ 4.3Å; I222-F227 HydrophobicContact CG2-CD2 4.49Å; I222-F227 HydrophobicContact CG2-CE2 3.71Å; I222-F227 HydrophobicContact CG2-CZ 4.02Å; I222-I238 HydrophobicContact CD1-CD1 3.97Å; I222-L243 HydrophobicContact CD1-CD1 3.95Å; I222-L243 HydrophobicContact CD1-CD2 3.83Å; I222-L243 HydrophobicContact CG1-CD2 4.21Å; I222-P247 HydrophobicContact CD1-CB 4.13Å; I222-P247 HydrophobicContact CD1-CG 4.16Å; I222-P247 HydrophobicContact CG2-CB 3.99Å
223R92.4Very high94.2Very high107 Ų10769.9 Ų69.940%0.40432%0.32SS..  trans-70.5150.8176.9-67.517371.9172.86.9109.7E178 E202 E225 A226E178-R223 IonicContact OE1-CZ 3.38Å; E178-R223 IonicContact OE1-NH1 2.77Å; E178-R223 PolarHBondContact OE1-NH1 3Å; E178-R223 IonicContact OE1-NH2 3.43Å; E202-R223 IonicContact OE1-CZ 3.5Å; E202-R223 IonicContact OE1-NH1 2.74Å; E202-R223 PolarHBondContact OE1-NH1 3.49Å; E202-R223 VanDerWaalsContact OE1-NH1 3.15Å; R223-E225 PolarHBondContact O-N 3.48Å; R223-A226 HydrophobicContact CB-CB 4.35Å; R223-A226 WeakPolarHBondContact O-CB 3.45Å; R223-A226 PolarHBondContact O-N 3.45Å; R223-A226 VanDerWaalsContact O-N 3.1Å
224N88.8Confident94.2Very high147 Ų14772.4 Ų72.479%0.78633%0.331SS*.THydrogen-bonded Turntrans-55.5136.4169-64.13.3000109A226N224-A226 PolarHBondContact O-N 3.02Å
225E90.7Very high94.2Very high101 Ų10173.1 Ų73.147%0.47233%0.329SS..THydrogen-bonded Turntrans62.916-179.1-44.5-161.5130.800115.7R223 F227 K228 P249R223-E225 PolarHBondContact O-N 3.48Å; E225-F227 PolarHBondContact O-N 2.75Å; E225-K228 HydrophobicContact CB-CB 3.96Å; E225-K228 HydrophobicContact CB-CD 3.89Å; E225-K228 VanDerWaalsContact CD-CD 3.49Å; E225-K228 HydrophobicContact CG-CD 4.1Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 2.92Å; E225-K228 VanDerWaalsContact O-N 3.09Å; E225-K228 WeakPolarHBondContact OE1-CD 3.49Å; E225-K228 IonicContact OE1-NZ 3.26Å; E225-K228 PolarHBondContact OE1-NZ 3.2Å; E225-K228 IonicContact OE2-NZ 2.87Å; E225-K228 PolarHBondContact OE2-NZ 3.1Å; E225-P249 HydrophobicContact CG-CG 4.41Å
226A92.6Very high94.2Very high31 Ų3172.6 Ų72.626%0.25633%0.327SS..THydrogen-bonded Turntrans-55.6-27.8-179.900000114.4I222 R223 N224I222-A226 HydrophobicContact CG2-CB 3.77Å; R223-A226 HydrophobicContact CB-CB 4.35Å; R223-A226 WeakPolarHBondContact O-CB 3.45Å; R223-A226 PolarHBondContact O-N 3.45Å; R223-A226 VanDerWaalsContact O-N 3.1Å; N224-A226 PolarHBondContact O-N 3.02Å
227F94.8Very high94.3Very high2 Ų269 Ų691%0.00931%0.314CS..THydrogen-bonded Turntrans-108.30.9-177.8-52.2-59.2000113.9L200 L203 I210 I222 E225 D229 L230 L236 I238 P247L200-F227 HydrophobicContact CD1-CE1 4.33Å; L200-F227 HydrophobicContact CD1-CZ 3.97Å; L203-F227 HydrophobicContact CD1-CD1 4.16Å; L203-F227 HydrophobicContact CD1-CE1 3.79Å; I210-F227 HydrophobicContact CD1-CD1 4.4Å; I210-F227 HydrophobicContact CD1-CE1 4.21Å; I222-F227 HydrophobicContact CD1-CE2 4.23Å; I222-F227 HydrophobicContact CD1-CZ 4.3Å; I222-F227 HydrophobicContact CG2-CD2 4.49Å; I222-F227 HydrophobicContact CG2-CE2 3.71Å; I222-F227 HydrophobicContact CG2-CZ 4.02Å; E225-F227 PolarHBondContact O-N 2.75Å; F227-D229 PolarHBondContact O-N 3.23Å; F227-L230 HydrophobicContact CB-CD1 4.35Å; F227-L230 HydrophobicContact CD1-CD1 3.74Å; F227-L230 PolarHBondContact O-N 2.87Å; F227-L236 HydrophobicContact CD2-CD2 4.17Å; F227-L236 HydrophobicContact CE1-CD1 4.14Å; F227-L236 HydrophobicContact CE1-CD2 4.45Å; F227-L236 HydrophobicContact CE2-CD2 4.03Å; F227-L236 HydrophobicContact CG-CD2 4.44Å; F227-L236 HydrophobicContact CZ-CD1 4.16Å; F227-L236 HydrophobicContact CZ-CD2 4.17Å; F227-I238 HydrophobicContact CE2-CD1 4.35Å; F227-I238 HydrophobicContact CZ-CD1 4.23Å; F227-P247 HydrophobicContact CD2-CB 4.07Å; F227-P247 HydrophobicContact CD2-CG 4.21Å; F227-P247 HydrophobicContact CE2-CB 3.72Å; F227-P247 HydrophobicContact CE2-CG 3.72Å
228K92.6Very high94.3Very high91 Ų9169 Ų6940%0.39631%0.314SS..THydrogen-bonded Turntrans-59.8-43.9-171.4-178.2175.6172.6178.20113.3E225 L230 P249E225-K228 HydrophobicContact CB-CB 3.96Å; E225-K228 HydrophobicContact CB-CD 3.89Å; E225-K228 VanDerWaalsContact CD-CD 3.49Å; E225-K228 HydrophobicContact CG-CD 4.1Å; E225-K228 WeakPolarHBondContact O-CB 3.3Å; E225-K228 PolarHBondContact O-N 2.92Å; E225-K228 VanDerWaalsContact O-N 3.09Å; E225-K228 WeakPolarHBondContact OE1-CD 3.49Å; E225-K228 IonicContact OE1-NZ 3.26Å; E225-K228 PolarHBondContact OE1-NZ 3.2Å; E225-K228 IonicContact OE2-NZ 2.87Å; E225-K228 PolarHBondContact OE2-NZ 3.1Å; K228-L230 VanDerWaalsContact C-N 3.34Å; K228-P249 HydrophobicContact CB-CG 3.85Å; K228-P249 HydrophobicContact CD-CG 4.07Å; K228-P249 HydrophobicContact CG-CG 3.92Å
229D92.3Very high94.5Very high102 Ų10269 Ų6955%0.54531%0.31SS..THydrogen-bonded Turntrans-92.75.5-174.3-59.3-32000112.8S205 F227 H231S205-D229 VanDerWaalsContact CB-O 3.27Å; S205-D229 WeakPolarHBondContact CB-O 3.36Å; F227-D229 PolarHBondContact O-N 3.23Å; D229-H231 PolarHBondContact O-CD2 2.81Å; D229-H231 PolarHBondContact O-N 2.98Å
230L95.6Very high94.9Very high3 Ų363.3 Ų63.32%0.01629%0.293CS..  trans-85.866.1179.7-53.2-171.7000110.6L203 P204 I210 F227 K228 E232 L233 P251L203-L230 HydrophobicContact CB-CD1 4.28Å; L203-L230 HydrophobicContact CB-CD2 4.25Å; L203-L230 HydrophobicContact CD1-CD1 4.19Å; P204-L230 VanDerWaalsContact O-CD2 3.29Å; P204-L230 WeakPolarHBondContact O-CD2 3.22Å; I210-L230 HydrophobicContact CD1-CD1 3.77Å; F227-L230 HydrophobicContact CB-CD1 4.35Å; F227-L230 HydrophobicContact CD1-CD1 3.74Å; F227-L230 PolarHBondContact O-N 2.87Å; K228-L230 VanDerWaalsContact C-N 3.34Å; L230-E232 PolarHBondContact O-N 2.97Å; L230-E232 VanDerWaalsContact O-N 3.14Å; L230-L233 HydrophobicContact CB-CB 3.83Å; L230-L233 HydrophobicContact CB-CD2 4.42Å; L230-L233 HydrophobicContact CD1-CD2 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L230-P251 VanDerWaalsContact O-CB 3.3Å; L230-P251 WeakPolarHBondContact O-CB 3.4Å
231H95.1Very high95.3Very high125 Ų12552.7 Ų52.758%0.57925%0.253SS*.THydrogen-bonded Turntrans-64.9-17-173.7-55.4-50.3000114.3D229 S253D229-H231 PolarHBondContact O-CD2 2.81Å; D229-H231 PolarHBondContact O-N 2.98Å; H231-S253 VanDerWaalsContact C-OG 3.25Å; H231-S253 WeakPolarHBondContact O-CB 3.1Å; H231-S253 PolarHBondContact O-OG 2.77Å
232E96.6Very high95.6Very high113 Ų11357.1 Ų57.153%0.52828%0.276SS..THydrogen-bonded Turntrans-98.2-3.1177.5-60.6-62.915200113L207 T208 L230 Q234L207-E232 CarbonylContact O-C 3.57Å; T208-E232 WeakPolarHBondContact CA-O 3.21Å; T208-E232 HydrophobicContact CG2-CB 4.19Å; L230-E232 PolarHBondContact O-N 2.97Å; L230-E232 VanDerWaalsContact O-N 3.14Å; E232-Q234 PolarHBondContact O-N 3.34Å
233L98.1Very high95.7Very high0 Ų056.9 Ų56.90%028%0.275CS..  trans-70.3120.4-174.2-172.571.9000111.4L207 I210 L230 L236 P251 S253 L254L207-L233 VanDerWaalsContact O-CA 3.24Å; L207-L233 WeakPolarHBondContact O-CA 3.21Å; L207-L233 PolarHBondContact O-N 3.11Å; I210-L233 HydrophobicContact CB-CD1 4.33Å; I210-L233 HydrophobicContact CD1-CD1 3.58Å; I210-L233 HydrophobicContact CD1-CD2 4.07Å; I210-L233 HydrophobicContact CG1-CD1 3.74Å; L230-L233 HydrophobicContact CB-CB 3.83Å; L230-L233 HydrophobicContact CB-CD2 4.42Å; L230-L233 HydrophobicContact CD1-CD2 4.08Å; L230-L233 WeakPolarHBondContact O-CB 3.42Å; L230-L233 PolarHBondContact O-N 3.44Å; L230-L233 VanDerWaalsContact O-N 3.08Å; L233-L236 HydrophobicContact CD2-CB 4.33Å; L233-L236 HydrophobicContact CD2-CD2 4.43Å; L233-P251 HydrophobicContact CB-CG 4.02Å; L233-P251 HydrophobicContact CD2-CG 3.98Å; L233-S253 CarbonylContact O-C 3.47Å; L233-S253 VanDerWaalsContact O-C 3.23Å; L233-S253 PolarHBondContact O-OG 2.83Å; L233-S253 VanDerWaalsContact O-OG 3.1Å; L233-L254 HydrophobicContact CD2-CD1 4.08Å; L233-L254 HydrophobicContact CG-CD1 4.06Å; L233-L254 VanDerWaalsContact O-CA 3.28Å; L233-L254 WeakPolarHBondContact O-CA 3.3Å; L233-L254 PolarHBondContact O-N 3.46Å
234Q98.2Very high95.8Very high61 Ų6153.9 Ų53.929%0.28527%0.267SS..  trans-111-35.5-179.1-67.2171.719.200111.8T208 E232 Q255 V256T208-Q234 PolarHBondContact O-N 3.1Å; E232-Q234 PolarHBondContact O-N 3.34Å; Q234-Q255 HydrophobicContact CB-CG 4.32Å; Q234-Q255 HydrophobicContact CG-CG 4.45Å; Q234-Q255 WeakPolarHBondContact O-CA 3.36Å; Q234-Q255 PolarHBondContact O-N 3.29Å; Q234-V256 PolarHBondContact O-N 3.08Å
235Y98.6Very high96Very high74 Ų7450 Ų5029%0.2924%0.244SC..EExtended strand (participates in β ladder)trans-123.9119.5-173.7-54.4-87000110.7T208 L209 I210 Y237 V256T208-Y235 PolarHBondContact O-N 2.63Å; L209-Y235 WeakPolarHBondContact CA-O 3.42Å; L209-Y235 HydrophobicContact CB-CD2 4.49Å; L209-Y235 HydrophobicContact CD1-CD2 4.44Å; L209-Y235 HydrophobicContact CD1-CG 4.4Å; I210-Y235 PolarHBondContact N-O 2.76Å; Y235-Y237 WeakPolarHBondContact CD1-OH 3.24Å; Y235-Y237 HydrophobicContact CG-CE2 4.48Å; Y235-V256 HydrophobicContact CD1-CB 3.84Å; Y235-V256 HydrophobicContact CD1-CG2 3.69Å; Y235-V256 HydrophobicContact CE1-CB 4.45Å; Y235-V256 HydrophobicContact CE1-CG2 3.79Å
236L98.5Very high96.2Very high0 Ų045.7 Ų45.70%022%0.224CC..EExtended strand (participates in β ladder)trans-127109.5176.7-176.857.7000110.3I210 F227 L233 I238 L250 L254 V256 L257 H258I210-L236 HydrophobicContact CB-CD1 3.86Å; I210-L236 HydrophobicContact CD1-CD1 4.43Å; I210-L236 HydrophobicContact CG2-CD1 3.96Å; F227-L236 HydrophobicContact CD2-CD2 4.17Å; F227-L236 HydrophobicContact CE1-CD1 4.14Å; F227-L236 HydrophobicContact CE1-CD2 4.45Å; F227-L236 HydrophobicContact CE2-CD2 4.03Å; F227-L236 HydrophobicContact CG-CD2 4.44Å; F227-L236 HydrophobicContact CZ-CD1 4.16Å; F227-L236 HydrophobicContact CZ-CD2 4.17Å; L233-L236 HydrophobicContact CD2-CB 4.33Å; L233-L236 HydrophobicContact CD2-CD2 4.43Å; L236-I238 HydrophobicContact CD1-CD1 3.89Å; L236-I238 HydrophobicContact CD1-CG1 3.89Å; L236-I238 HydrophobicContact CD2-CD1 3.96Å; L236-I238 HydrophobicContact CG-CD1 3.84Å; L236-I238 HydrophobicContact CG-CG1 4.02Å; L236-L250 HydrophobicContact CD2-CD2 4.26Å; L236-L254 HydrophobicContact CB-CD1 3.74Å; L236-V256 PolarHBondContact N-O 3.27Å; L236-L257 HydrophobicContact CB-CD1 4.23Å; L236-L257 HydrophobicContact CD2-CD1 3.92Å; L236-L257 HydrophobicContact CG-CD1 4.13Å; L236-H258 PolarHBondContact O-N 3.02Å
237Y98.6Very high96.1Very high53 Ų5344.5 Ų44.521%0.20821%0.214CC..EExtended strand (participates in β ladder)trans-110.3115.5177.2-52.1-82.9000109.9L209 I210 D211 V212 S213 Y235 V256 H258L209-Y237 HydrophobicContact CD1-CE2 4.29Å; L209-Y237 HydrophobicContact CG-CE2 4.4Å; I210-Y237 PolarHBondContact O-N 2.81Å; D211-Y237 HydrophobicContact CB-CD2 4.11Å; V212-Y237 WeakPolarHBondContact CG2-O 3.34Å; V212-Y237 PolarHBondContact N-O 2.87Å; S213-Y237 WeakPolarHBondContact OG-CB 3.42Å; Y235-Y237 WeakPolarHBondContact CD1-OH 3.24Å; Y235-Y237 HydrophobicContact CG-CE2 4.48Å; Y237-V256 HydrophobicContact CE1-CG1 3.94Å; Y237-H258 HydrophobicContact CD1-CB 3.64Å; Y237-H258 AromaticContact CD1-CG 3.65Å; Y237-H258 AromaticContact CD1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CD1-ND1 3.29Å; Y237-H258 HydrophobicContact CE1-CB 4.32Å; Y237-H258 AromaticContact CE1-CE1 3.76Å; Y237-H258 AromaticContact CE1-CG 3.84Å; Y237-H258 AromaticContact CE1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CE1-ND1 3.25Å
238I97.8Very high96Very high0 Ų047.6 Ų47.60%023%0.23CC..  trans-131.232.2176.6-44164.6000109.5V212 L217 I222 F227 L236 N241 L243 P247 H258 L259 N262V212-I238 HydrophobicContact CG2-CB 4.18Å; V212-I238 HydrophobicContact CG2-CG1 3.76Å; V212-I238 HydrophobicContact CG2-CG2 3.97Å; L217-I238 HydrophobicContact CD1-CG2 3.93Å; I222-I238 HydrophobicContact CD1-CD1 3.97Å; F227-I238 HydrophobicContact CE2-CD1 4.35Å; F227-I238 HydrophobicContact CZ-CD1 4.23Å; L236-I238 HydrophobicContact CD1-CD1 3.89Å; L236-I238 HydrophobicContact CD1-CG1 3.89Å; L236-I238 HydrophobicContact CD2-CD1 3.96Å; L236-I238 HydrophobicContact CG-CD1 3.84Å; L236-I238 HydrophobicContact CG-CG1 4.02Å; I238-N241 HydrophobicContact CG2-CB 4.18Å; I238-N241 PolarHBondContact O-ND2 2.91Å; I238-L243 HydrophobicContact CB-CD1 4.31Å; I238-L243 HydrophobicContact CD1-CD1 4.39Å; I238-L243 HydrophobicContact CG2-CD1 3.58Å; I238-L243 HydrophobicContact CG2-CG 4.33Å; I238-P247 HydrophobicContact CD1-CG 4.21Å; I238-H258 PolarHBondContact N-O 3.06Å; I238-L259 HydrophobicContact CB-CD2 4.01Å; I238-L259 HydrophobicContact CD1-CD2 4.17Å; I238-N262 PolarHBondContact O-ND2 3.28Å
239T97.9Very high96.1Very high20 Ų2045.7 Ų45.712%0.12323%0.227CC..  trans-62.7151.9179.4-49.20000111.3S213 N214 N241 Q260S213-T239 CarbonylContact C-O 3.47Å; S213-T239 WeakPolarHBondContact CA-O 3.3Å; N214-T239 PolarHBondContact N-O 2.86Å; T239-N241 PolarHBondContact O-N 2.93Å; T239-N241 PolarHBondContact O-ND2 2.96Å; T239-Q260 WeakPolarHBondContact CA-O 3.49Å; T239-Q260 HydrophobicContact CG2-CB 3.9Å; T239-Q260 PolarHBondContact OG1-OE1 3.14Å
240D98.2Very high96.2Very high59 Ų5941.6 Ų41.632%0.31621%0.205SC..SBendtrans52.958.5175.9-64.5-55.2000112.5N214 N215 Q260 N261N214-D240 VanDerWaalsContact CA-O 3.26Å; N214-D240 WeakPolarHBondContact CA-O 3.18Å; N214-D240 HydrophobicContact CB-CB 4.38Å; N214-D240 PolarHBondContact N-O 3Å; N214-D240 VanDerWaalsContact ND2-CB 3.33Å; N214-D240 WeakPolarHBondContact ND2-CB 3.03Å; N214-D240 PolarHBondContact ND2-OD2 2.98Å; N215-D240 PolarHBondContact N-O 2.89Å; D240-Q260 PolarHBondContact N-O 3.28Å; D240-N261 WeakPolarHBondContact CA-O 3.31Å; D240-N261 WeakPolarHBondContact OD1-CB 3.24Å; D240-N261 PolarHBondContact OD1-ND2 2.9Å
241N98.1Very high96.1Very high6 Ų641.7 Ų41.73%0.03221%0.206CC..SBendtrans-129-164.9176-87.6-84000109.5V212 N215 R216 L217 I238 T239 N261 N262V212-N241 PolarHBondContact O-ND2 3.43Å; N215-N241 WeakPolarHBondContact CA-OD1 3.44Å; N215-N241 WeakPolarHBondContact CB-OD1 3.48Å; N215-N241 PolarHBondContact O-OD1 3.23Å; R216-N241 PolarHBondContact N-OD1 3.31Å; L217-N241 HydrophobicContact CB-CB 4.27Å; L217-N241 VanDerWaalsContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CB-OD1 3.29Å; L217-N241 WeakPolarHBondContact CG-OD1 3.48Å; L217-N241 PolarHBondContact N-OD1 2.97Å; I238-N241 HydrophobicContact CG2-CB 4.18Å; I238-N241 PolarHBondContact O-ND2 2.91Å; T239-N241 PolarHBondContact O-N 2.93Å; T239-N241 PolarHBondContact O-ND2 2.96Å; N241-N261 PolarHBondContact N-O 2.94Å; N241-N262 VanDerWaalsContact CA-OD1 3.28Å; N241-N262 WeakPolarHBondContact CA-OD1 3.35Å; N241-N262 WeakPolarHBondContact CB-OD1 3.36Å; N241-N262 PolarHBondContact N-OD1 3.1Å; N241-N262 PolarHBondContact O-OD1 3.03Å
242N97.3Very high96Very high96 Ų9640.4 Ų40.451%0.51320%0.2SC..  trans-120.429.1-178.4-55117.4000111.9L217 G218 N262L217-N242 CarbonylContact O-C 3.12Å; L217-N242 VanDerWaalsContact O-CA 3.25Å; L217-N242 WeakPolarHBondContact O-CA 3.31Å; L217-N242 PolarHBondContact O-N 2.85Å; G218-N242 WeakPolarHBondContact CA-O 3.02Å; N242-N262 PolarHBondContact N-OD1 2.93Å
243L96.4Very high95.9Very high3 Ų336.5 Ų36.52%0.01619%0.185CC..  trans-67.8134179.6-63.2-178.5000110.3L217 I222 I238 L259 N262 N263 I264L217-L243 HydrophobicContact CB-CD2 4.15Å; L217-L243 PolarHBondContact O-N 3.05Å; I222-L243 HydrophobicContact CD1-CD1 3.95Å; I222-L243 HydrophobicContact CD1-CD2 3.83Å; I222-L243 HydrophobicContact CG1-CD2 4.21Å; I238-L243 HydrophobicContact CB-CD1 4.31Å; I238-L243 HydrophobicContact CD1-CD1 4.39Å; I238-L243 HydrophobicContact CG2-CD1 3.58Å; I238-L243 HydrophobicContact CG2-CG 4.33Å; L243-L259 HydrophobicContact CD1-CD2 3.87Å; L243-N262 HydrophobicContact CB-CB 4.23Å; L243-N262 WeakPolarHBondContact CB-OD1 3.44Å; L243-N262 PolarHBondContact N-OD1 3.04Å; L243-N263 CarbonylContact O-C 3.38Å; L243-N263 WeakPolarHBondContact O-CA 3.41Å; L243-N263 WeakPolarHBondContact O-CB 3.47Å; L243-N263 PolarHBondContact O-N 3.38Å; L243-I264 PolarHBondContact O-N 3.42Å
244D94.4Very high95.9Very high45 Ų4536.5 Ų36.524%0.24119%0.185CC..SBendtrans-100.6-6.2176.259.3-15000113.4R219 N263R219-D244 WeakPolarHBondContact CA-OD1 3.5Å; R219-D244 WeakPolarHBondContact CB-OD1 3.46Å; R219-D244 WeakPolarHBondContact CB-OD2 3.46Å; R219-D244 VanDerWaalsContact CD-OD2 3.23Å; R219-D244 WeakPolarHBondContact CD-OD2 3.08Å; R219-D244 VanDerWaalsContact CG-OD1 3.32Å; R219-D244 WeakPolarHBondContact CG-OD1 3.47Å; R219-D244 WeakPolarHBondContact CG-OD2 3.39Å; R219-D244 IonicContact NE-OD2 3.98Å; D244-N263 WeakPolarHBondContact CA-O 3.47Å
245H93.6Very high95.9Very high66 Ų6636.4 Ų36.431%0.30619%0.185SC..SBendtrans-148.9161.1179.264.4-74.5000110.8R219R219-H245 PolarHBondContact O-CE1 3.23Å
246I94.2Very high95.9Very high9 Ų933.8 Ų33.85%0.04618%0.176CC..  trans-76.6128.9172.4-61169.9000108.2L248 L250 L259 I264 M267 T271 F272 L290I246-L248 HydrophobicContact CG2-CD2 4.48Å; I246-L248 PolarHBondContact O-N 2.97Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; I246-L259 HydrophobicContact CB-CD1 4.49Å; I246-L259 HydrophobicContact CG1-CD1 4.04Å; I246-L259 HydrophobicContact CG2-CD1 4.1Å; I246-I264 HydrophobicContact CG1-CD1 4.04Å; I246-I264 HydrophobicContact CG1-CG2 4.12Å; I246-M267 HydrophobicContact CD1-CB 4.34Å; I246-M267 HydrophobicContact CD1-CG 4.12Å; I246-M267 HydrophobicContact CD1-SD 4.12Å; I246-T271 HydrophobicContact CB-CG2 4.24Å; I246-T271 HydrophobicContact CD1-CG2 3.75Å; I246-T271 HydrophobicContact CG2-CG2 4Å; I246-F272 HydrophobicContact CD1-CZ 4.1Å; I246-L290 HydrophobicContact CD1-CD2 4.2Å; I246-L290 HydrophobicContact CG1-CD2 4.41Å
247P92.5Very high95.8Very high7 Ų733.8 Ų33.85%0.04518%0.176CC..  trans-71.5114.4-178.928.1-33.5000110.7I222 F227 I238 L250I222-P247 HydrophobicContact CD1-CB 4.13Å; I222-P247 HydrophobicContact CD1-CG 4.16Å; I222-P247 HydrophobicContact CG2-CB 3.99Å; F227-P247 HydrophobicContact CD2-CB 4.07Å; F227-P247 HydrophobicContact CD2-CG 4.21Å; F227-P247 HydrophobicContact CE2-CB 3.72Å; F227-P247 HydrophobicContact CE2-CG 3.72Å; I238-P247 HydrophobicContact CD1-CG 4.21Å; P247-L250 WeakPolarHBondContact O-CD2 3.37Å; P247-L250 WeakPolarHBondContact O-CG 3.32Å
248L92Very high95.8Very high67 Ų6732.5 Ų32.535%0.35117%0.172SC..SBendtrans-114.1153.3-179.6-66.7173.6000111.8I246 L250 T271I246-L248 HydrophobicContact CG2-CD2 4.48Å; I246-L248 PolarHBondContact O-N 2.97Å; L248-L250 HydrophobicContact CD2-CD1 4.41Å; L248-L250 HydrophobicContact CD2-CG 4.23Å; L248-T271 HydrophobicContact CD1-CG2 4.33Å; L248-T271 HydrophobicContact CD2-CG2 3.98Å; L248-T271 WeakPolarHBondContact CD2-O 3.4Å
249P93.4Very high95.8Very high50 Ų5032.5 Ų32.533%0.32517%0.172SC..SBendcis-72.9147.6-11.430.1-38.2000113.5E225 K228E225-P249 HydrophobicContact CG-CG 4.41Å; K228-P249 HydrophobicContact CB-CG 3.85Å; K228-P249 HydrophobicContact CD-CG 4.07Å; K228-P249 HydrophobicContact CG-CG 3.92Å
250L94.3Very high95.8Very high17 Ų1732.1 Ų32.19%0.08917%0.169CC..PPolyproline II helixtrans-91.1142.6171.5-65.3169000110.6L236 I246 P247 L248 L254 L257 F272L236-L250 HydrophobicContact CD2-CD2 4.26Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; P247-L250 WeakPolarHBondContact O-CD2 3.37Å; P247-L250 WeakPolarHBondContact O-CG 3.32Å; L248-L250 HydrophobicContact CD2-CD1 4.41Å; L248-L250 HydrophobicContact CD2-CG 4.23Å; L250-L254 HydrophobicContact CB-CD2 4.38Å; L250-L254 HydrophobicContact CD1-CD2 4.46Å; L250-L254 HydrophobicContact CD2-CD2 4.14Å; L250-L257 HydrophobicContact CD1-CD2 3.68Å; L250-F272 HydrophobicContact CD1-CD1 4.02Å; L250-F272 HydrophobicContact CD1-CE1 3.72Å
251P94.4Very high95.7Very high5 Ų533 Ų333%0.03217%0.173CC..PPolyproline II helixtrans-69.5145.5-178.725.8-30.7000112.4L230 L233 S253 L254 R282L230-P251 VanDerWaalsContact O-CB 3.3Å; L230-P251 WeakPolarHBondContact O-CB 3.4Å; L233-P251 HydrophobicContact CB-CG 4.02Å; L233-P251 HydrophobicContact CD2-CG 3.98Å; P251-S253 PolarHBondContact O-N 2.81Å; P251-L254 HydrophobicContact CG-CB 4.3Å; P251-L254 VanDerWaalsContact O-CB 3.29Å; P251-L254 WeakPolarHBondContact O-CB 3.48Å; P251-L254 PolarHBondContact O-N 3.47Å; P251-L254 VanDerWaalsContact O-N 3.16Å; P251-R282 PolarHBondContact O-NH2 3.47Å
252E92.4Very high95.7Very high98 Ų9833.3 Ų33.346%0.45818%0.175SC..THydrogen-bonded Turntrans-63.9-23.7-178.3-70.2-80.6-178.700113.3L254 K274 Y280E252-L254 VanDerWaalsContact C-N 3.3Å; E252-K274 WeakPolarHBondContact OE1-CE 3.34Å; E252-K274 IonicContact OE1-NZ 3.65Å; E252-K274 PolarHBondContact OE1-NZ 3.25Å; E252-Y280 VanDerWaalsContact CD-OH 3.29Å; E252-Y280 PolarHBondContact OE1-OH 2.66Å; E252-Y280 PolarHBondContact OE2-OH 3.49Å
253S96.1Very high95.7Very high30 Ų3032.4 Ų32.421%0.2117%0.171CC..THydrogen-bonded Turntrans-77-11.5177.6460000114.6H231 L233 P251 Q255H231-S253 VanDerWaalsContact C-OG 3.25Å; H231-S253 WeakPolarHBondContact O-CB 3.1Å; H231-S253 PolarHBondContact O-OG 2.77Å; L233-S253 CarbonylContact O-C 3.47Å; L233-S253 VanDerWaalsContact O-C 3.23Å; L233-S253 PolarHBondContact O-OG 2.83Å; L233-S253 VanDerWaalsContact O-OG 3.1Å; P251-S253 PolarHBondContact O-N 2.81Å; S253-Q255 PolarHBondContact O-N 3.3Å
254L97.4Very high95.6Very high0 Ų032.3 Ų32.30%017%0.17CC..  trans-63.5128.9-174.3-166.569.4000111.4L233 L236 L250 P251 E252 L257 A284 L285L233-L254 HydrophobicContact CD2-CD1 4.08Å; L233-L254 HydrophobicContact CG-CD1 4.06Å; L233-L254 VanDerWaalsContact O-CA 3.28Å; L233-L254 WeakPolarHBondContact O-CA 3.3Å; L233-L254 PolarHBondContact O-N 3.46Å; L236-L254 HydrophobicContact CB-CD1 3.74Å; L250-L254 HydrophobicContact CB-CD2 4.38Å; L250-L254 HydrophobicContact CD1-CD2 4.46Å; L250-L254 HydrophobicContact CD2-CD2 4.14Å; P251-L254 HydrophobicContact CG-CB 4.3Å; P251-L254 VanDerWaalsContact O-CB 3.29Å; P251-L254 WeakPolarHBondContact O-CB 3.48Å; P251-L254 PolarHBondContact O-N 3.47Å; P251-L254 VanDerWaalsContact O-N 3.16Å; E252-L254 VanDerWaalsContact C-N 3.3Å; L254-L257 HydrophobicContact CD2-CB 4.03Å; L254-L257 HydrophobicContact CD2-CD1 4.27Å; L254-A284 CarbonylContact O-C 3.51Å; L254-L285 HydrophobicContact CB-CD1 4.47Å; L254-L285 HydrophobicContact CD2-CD1 4.21Å; L254-L285 HydrophobicContact CG-CD1 4.15Å; L254-L285 VanDerWaalsContact O-CA 3.27Å; L254-L285 WeakPolarHBondContact O-CA 3.19Å; L254-L285 WeakPolarHBondContact O-CB 3.01Å; L254-L285 PolarHBondContact O-N 3.17Å
255Q97.5Very high95.5Very high59 Ų5935.9 Ų35.928%0.27619%0.185SC..  trans-106.6-40-179.2-61.217718.300113Q234 S253 A284 E286 D287Q234-Q255 HydrophobicContact CB-CG 4.32Å; Q234-Q255 HydrophobicContact CG-CG 4.45Å; Q234-Q255 WeakPolarHBondContact O-CA 3.36Å; Q234-Q255 PolarHBondContact O-N 3.29Å; S253-Q255 PolarHBondContact O-N 3.3Å; Q255-A284 WeakPolarHBondContact CA-O 3.3Å; Q255-E286 PolarHBondContact O-N 3.14Å; Q255-D287 PolarHBondContact O-N 3.04Å
256V98.2Very high95.3Very high19 Ų1939.6 Ų39.612%0.11520%0.203CC..EExtended strand (participates in β ladder)trans-127.8124.3-176.1-178.70000109.3Q234 Y235 L236 Y237 H258 D287Q234-V256 PolarHBondContact O-N 3.08Å; Y235-V256 HydrophobicContact CD1-CB 3.84Å; Y235-V256 HydrophobicContact CD1-CG2 3.69Å; Y235-V256 HydrophobicContact CE1-CB 4.45Å; Y235-V256 HydrophobicContact CE1-CG2 3.79Å; L236-V256 PolarHBondContact N-O 3.27Å; Y237-V256 HydrophobicContact CE1-CG1 3.94Å; V256-H258 WeakPolarHBondContact CG1-CD2 3.34Å; V256-H258 VanDerWaalsContact CG1-NE2 3.3Å; V256-H258 WeakPolarHBondContact CG1-NE2 3.28Å; V256-D287 WeakPolarHBondContact CA-O 3.39Å; V256-D287 HydrophobicContact CG1-CB 4.33Å; V256-D287 HydrophobicContact CG2-CB 4.3Å
257L98Very high95.2Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-125.8109.8175178.762.7000110.3L236 L250 L254 L259 F272 L285 D287 V288 R289L236-L257 HydrophobicContact CB-CD1 4.23Å; L236-L257 HydrophobicContact CD2-CD1 3.92Å; L236-L257 HydrophobicContact CG-CD1 4.13Å; L250-L257 HydrophobicContact CD1-CD2 3.68Å; L254-L257 HydrophobicContact CD2-CB 4.03Å; L254-L257 HydrophobicContact CD2-CD1 4.27Å; L257-L259 HydrophobicContact CD1-CD1 3.91Å; L257-L259 HydrophobicContact CD1-CG 3.92Å; L257-L259 HydrophobicContact CD2-CD1 3.75Å; L257-L259 HydrophobicContact CG-CD1 3.79Å; L257-L259 HydrophobicContact CG-CG 4.04Å; L257-F272 HydrophobicContact CD2-CE1 3.67Å; L257-F272 HydrophobicContact CD2-CZ 4.14Å; L257-L285 HydrophobicContact CB-CD1 4.18Å; L257-D287 PolarHBondContact N-O 2.77Å; L257-V288 HydrophobicContact CD2-CG1 4.43Å; L257-V288 WeakPolarHBondContact O-CA 3.07Å; L257-R289 PolarHBondContact O-N 3.37Å
258H98.3Very high95.1Very high27 Ų2745 Ų4513%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-112114.5179.9-78.2-161.6000109.6L236 Y237 I238 V256 Q260 D287L236-H258 PolarHBondContact O-N 3.02Å; Y237-H258 HydrophobicContact CD1-CB 3.64Å; Y237-H258 AromaticContact CD1-CG 3.65Å; Y237-H258 AromaticContact CD1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CD1-ND1 3.29Å; Y237-H258 HydrophobicContact CE1-CB 4.32Å; Y237-H258 AromaticContact CE1-CE1 3.76Å; Y237-H258 AromaticContact CE1-CG 3.84Å; Y237-H258 AromaticContact CE1-ND1 3.45Å; Y237-H258 WeakPolarHBondContact CE1-ND1 3.25Å; I238-H258 PolarHBondContact N-O 3.06Å; V256-H258 WeakPolarHBondContact CG1-CD2 3.34Å; V256-H258 VanDerWaalsContact CG1-NE2 3.3Å; V256-H258 WeakPolarHBondContact CG1-NE2 3.28Å; H258-Q260 PolarHBondContact ND1-NE2 3.09Å; H258-D287 IonicContact CD2-OD2 3.5Å; H258-D287 IonicContact CE1-OD2 3.46Å; H258-D287 IonicContact NE2-OD2 3.22Å; H258-D287 PolarHBondContact NE2-OD2 2.95Å
259L97.4Very high94.9Very high0 Ų045.6 Ų45.60%023%0.228CC..  trans-128.420.1-176-74.1168.8000111.6I238 L243 I246 L257 N262 I264 R289 L290 N293I238-L259 HydrophobicContact CB-CD2 4.01Å; I238-L259 HydrophobicContact CD1-CD2 4.17Å; L243-L259 HydrophobicContact CD1-CD2 3.87Å; I246-L259 HydrophobicContact CB-CD1 4.49Å; I246-L259 HydrophobicContact CG1-CD1 4.04Å; I246-L259 HydrophobicContact CG2-CD1 4.1Å; L257-L259 HydrophobicContact CD1-CD1 3.91Å; L257-L259 HydrophobicContact CD1-CG 3.92Å; L257-L259 HydrophobicContact CD2-CD1 3.75Å; L257-L259 HydrophobicContact CG-CD1 3.79Å; L257-L259 HydrophobicContact CG-CG 4.04Å; L259-N262 PolarHBondContact O-ND2 2.02Å; L259-I264 HydrophobicContact CB-CD1 4Å; L259-I264 HydrophobicContact CD1-CD1 4.11Å; L259-I264 HydrophobicContact CD2-CD1 4.4Å; L259-I264 HydrophobicContact CG-CD1 4.42Å; L259-R289 CarbonylContact C-O 3.58Å; L259-R289 WeakPolarHBondContact CA-O 3.02Å; L259-R289 PolarHBondContact N-O 2.84Å; L259-L290 HydrophobicContact CB-CD2 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.99Å; L259-N293 PolarHBondContact O-ND2 3.19Å
260Q97.1Very high94.7Very high12 Ų1247.7 Ų47.76%0.05624%0.236CC..  trans-60.3154.6-176-43.787.2-27.800111.4T239 D240 H258 N262 R289 D291T239-Q260 WeakPolarHBondContact CA-O 3.49Å; T239-Q260 HydrophobicContact CG2-CB 3.9Å; T239-Q260 PolarHBondContact OG1-OE1 3.14Å; D240-Q260 PolarHBondContact N-O 3.28Å; H258-Q260 PolarHBondContact ND1-NE2 3.09Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.01Å; Q260-N262 PolarHBondContact O-ND2 3.34Å; Q260-N262 VanDerWaalsContact O-ND2 3.13Å; Q260-R289 HydrophobicContact CG-CB 3.7Å; Q260-R289 PolarHBondContact N-O 2.94Å; Q260-R289 VanDerWaalsContact NE2-NE 3.16Å; Q260-D291 CarbonylContact C-O 3.56Å; Q260-D291 WeakPolarHBondContact CA-O 3.47Å; Q260-D291 VanDerWaalsContact CB-O 3.25Å; Q260-D291 WeakPolarHBondContact CB-O 3.36Å; Q260-D291 VanDerWaalsContact CG-CG 3.44Å; Q260-D291 WeakPolarHBondContact CG-OD1 3.27Å
261N97.3Very high94.6Very high76 Ų7647.2 Ų47.241%0.40624%0.235SC..SBendtrans52.350.3175.3-55.7-25.3000112.9D240 N241 D291D240-N261 WeakPolarHBondContact CA-O 3.31Å; D240-N261 WeakPolarHBondContact OD1-CB 3.24Å; D240-N261 PolarHBondContact OD1-ND2 2.9Å; N241-N261 PolarHBondContact N-O 2.94Å; N261-D291 PolarHBondContact N-O 2.58Å
262N97.5Very high94.5Very high13 Ų1347.2 Ų47.27%0.0723%0.234CC..SBendtrans-115.1-165.2169.3-83.4-85.7000108.9I238 N241 N242 L243 L259 Q260 I264 N293I238-N262 PolarHBondContact O-ND2 3.28Å; N241-N262 VanDerWaalsContact CA-OD1 3.28Å; N241-N262 WeakPolarHBondContact CA-OD1 3.35Å; N241-N262 WeakPolarHBondContact CB-OD1 3.36Å; N241-N262 PolarHBondContact N-OD1 3.1Å; N241-N262 PolarHBondContact O-OD1 3.03Å; N242-N262 PolarHBondContact N-OD1 2.93Å; L243-N262 HydrophobicContact CB-CB 4.23Å; L243-N262 WeakPolarHBondContact CB-OD1 3.44Å; L243-N262 PolarHBondContact N-OD1 3.04Å; L259-N262 PolarHBondContact O-ND2 2.02Å; Q260-N262 VanDerWaalsContact C-N 3.34Å; Q260-N262 PolarHBondContact O-N 3.01Å; Q260-N262 PolarHBondContact O-ND2 3.34Å; Q260-N262 VanDerWaalsContact O-ND2 3.13Å; N262-I264 HydrophobicContact CB-CD1 4.33Å; N262-I264 HydrophobicContact CB-CG1 4.18Å; N262-N293 WeakPolarHBondContact CA-OD1 3.37Å; N262-N293 WeakPolarHBondContact CB-OD1 3.29Å; N262-N293 PolarHBondContact N-OD1 2.79Å; N262-N293 PolarHBondContact O-OD1 3.24Å
263N96.4Very high94.4Very high78 Ų7843.3 Ų43.342%0.41722%0.217SC..  trans-114.730.9178.2-168.446.2000112.3L243 D244 Q265 N293L243-N263 CarbonylContact O-C 3.38Å; L243-N263 WeakPolarHBondContact O-CA 3.41Å; L243-N263 WeakPolarHBondContact O-CB 3.47Å; L243-N263 PolarHBondContact O-N 3.38Å; D244-N263 WeakPolarHBondContact CA-O 3.47Å; N263-Q265 PolarHBondContact O-N 2.04Å; N263-N293 PolarHBondContact N-OD1 3.2Å
264I95.4Very high93.9Very high0 Ų046.5 Ų46.50%023%0.227CC..  trans-70119.1-177.8-58.2168.2000108.9L243 I246 L259 N262 L290 N293 P294 I295L243-I264 PolarHBondContact O-N 3.42Å; I246-I264 HydrophobicContact CG1-CD1 4.04Å; I246-I264 HydrophobicContact CG1-CG2 4.12Å; L259-I264 HydrophobicContact CB-CD1 4Å; L259-I264 HydrophobicContact CD1-CD1 4.11Å; L259-I264 HydrophobicContact CD2-CD1 4.4Å; L259-I264 HydrophobicContact CG-CD1 4.42Å; N262-I264 HydrophobicContact CB-CD1 4.33Å; N262-I264 HydrophobicContact CB-CG1 4.18Å; I264-L290 HydrophobicContact CD1-CD2 3.97Å; I264-N293 HydrophobicContact CB-CB 4.11Å; I264-N293 VanDerWaalsContact CB-OD1 3.32Å; I264-N293 WeakPolarHBondContact CB-OD1 3.29Å; I264-N293 WeakPolarHBondContact CG1-OD1 3.35Å; I264-N293 PolarHBondContact N-OD1 3.09Å; I264-P294 CarbonylContact O-C 3.15Å; I264-P294 VanDerWaalsContact O-CD 3.22Å; I264-P294 WeakPolarHBondContact O-CD 3.45Å; I264-P294 WeakPolarHBondContact O-CG 3.47Å; I264-I295 HydrophobicContact CG2-CD1 4.13Å; I264-I295 WeakPolarHBondContact O-CB 3.46Å; I264-I295 PolarHBondContact O-N 2.64Å; I264-I295 VanDerWaalsContact O-N 3.08Å
265Q92.4Very high93Very high120 Ų12051.1 Ų51.156%0.56125%0.25SS*.  trans-99.6-33.9-175-72.5171.262.200113.2N263 P294N263-Q265 PolarHBondContact O-N 2.04Å; Q265-P294 HydrophobicContact CG-CG 3.8Å
266E89.4Confident92.1Very high144 Ų14458.2 Ų58.267%0.67328%0.28SS*.  trans-147.1166.4-17565.6-177.4-177.900111.6
267M91.9Very high91.5Very high10 Ų1060.8 Ų60.85%0.04929%0.293CS..  trans-145.8136.4-178171.6-17954.400108.2I246 T271 F272 I295 L297 T300 A303 Y304I246-M267 HydrophobicContact CD1-CB 4.34Å; I246-M267 HydrophobicContact CD1-CG 4.12Å; I246-M267 HydrophobicContact CD1-SD 4.12Å; M267-T271 HydrophobicContact CG-CG2 3.81Å; M267-T271 WeakPolarHBondContact CG-OG1 3.47Å; M267-T271 HydrophobicContact SD-CG2 4.08Å; M267-F272 HydrophobicContact SD-CD2 4Å; M267-F272 HydrophobicContact SD-CE2 3.54Å; M267-F272 VanDerWaalsContact SD-CE2 3.54Å; M267-F272 HydrophobicContact SD-CZ 4.49Å; M267-I295 HydrophobicContact CB-CD1 3.68Å; M267-L297 HydrophobicContact CE-CD2 4.03Å; M267-T300 WeakPolarHBondContact CE-OG1 3.46Å; M267-T300 WeakPolarHBondContact O-CG2 3.27Å; M267-T300 PolarHBondContact O-OG1 3.04Å; M267-A303 HydrophobicContact CE-CB 3.55Å; M267-A303 HydrophobicContact CG-CB 3.99Å; M267-A303 HydrophobicContact SD-CB 3.66Å; M267-Y304 HydrophobicContact CE-CD1 3.76Å; M267-Y304 HydrophobicContact CE-CE1 4.07Å
268H90.2Very high90.5Very high121 Ų12170 Ų7056%0.5633%0.333SS*.  trans-83.7157176.1-75.4-76.3000112.2D270 T271 A303H268-D270 VanDerWaalsContact CB-OD1 3.24Å; H268-D270 WeakPolarHBondContact CB-OD1 3.43Å; H268-D270 PolarHBondContact O-N 2.94Å; H268-D270 VanDerWaalsContact O-N 3.15Å; H268-T271 PolarHBondContact N-OG1 2.79Å; H268-T271 VanDerWaalsContact O-CB 3.3Å; H268-T271 WeakPolarHBondContact O-CB 3.5Å; H268-T271 PolarHBondContact O-N 2.73Å; H268-T271 VanDerWaalsContact O-N 3.09Å; H268-T271 PolarHBondContact O-OG1 3.36Å; H268-A303 VanDerWaalsContact O-CB 3.28Å; H268-A303 WeakPolarHBondContact O-CB 3.28Å
269E88.9Confident89.8Confident78 Ų7875.6 Ų75.636%0.36436%0.364SS..THydrogen-bonded Turntrans-62.7-19.1-179.1-62.7-177.5171.800113.7M275 A303E269-M275 HydrophobicContact CB-CE 3.85Å; E269-M275 HydrophobicContact CB-CG 4.19Å; E269-M275 HydrophobicContact CB-SD 3.78Å; E269-M275 WeakPolarHBondContact OE2-CE 3.49Å; E269-A303 WeakPolarHBondContact O-CA 3.42Å
270D88.8Confident89.3Confident94 Ų9477.1 Ų77.150%0.50337%0.37SS..THydrogen-bonded Turntrans-98.49.1177.965.7-18.7000114.2H268 C273 M275H268-D270 VanDerWaalsContact CB-OD1 3.24Å; H268-D270 WeakPolarHBondContact CB-OD1 3.43Å; H268-D270 PolarHBondContact O-N 2.94Å; H268-D270 VanDerWaalsContact O-N 3.15Å; D270-C273 CarbonylContact C-O 3.37Å; D270-C273 VanDerWaalsContact CA-O 3.28Å; D270-C273 WeakPolarHBondContact CA-O 3.45Å; D270-M275 HydrophobicContact CB-CG 3.87Å; D270-M275 HydrophobicContact CB-SD 4.29Å
271T91.4Very high89Confident8 Ų880.3 Ų80.35%0.04939%0.39CS..SBendtrans-62.4-51.2-174.7-600000112.4I246 L248 M267 H268I246-T271 HydrophobicContact CB-CG2 4.24Å; I246-T271 HydrophobicContact CD1-CG2 3.75Å; I246-T271 HydrophobicContact CG2-CG2 4Å; L248-T271 HydrophobicContact CD1-CG2 4.33Å; L248-T271 HydrophobicContact CD2-CG2 3.98Å; L248-T271 WeakPolarHBondContact CD2-O 3.4Å; M267-T271 HydrophobicContact CG-CG2 3.81Å; M267-T271 WeakPolarHBondContact CG-OG1 3.47Å; M267-T271 HydrophobicContact SD-CG2 4.08Å; H268-T271 PolarHBondContact N-OG1 2.79Å; H268-T271 VanDerWaalsContact O-CB 3.3Å; H268-T271 WeakPolarHBondContact O-CB 3.5Å; H268-T271 PolarHBondContact O-N 2.73Å; H268-T271 VanDerWaalsContact O-N 3.09Å; H268-T271 PolarHBondContact O-OG1 3.36Å
272F92.9Very high88.8Confident5 Ų577.2 Ų77.22%0.02237%0.373CS..SBendtrans-110.8-26.2176.2-50.6-68.9000113.5I246 L250 L257 M267 L285 V288 A303 L307I246-F272 HydrophobicContact CD1-CZ 4.1Å; L250-F272 HydrophobicContact CD1-CD1 4.02Å; L250-F272 HydrophobicContact CD1-CE1 3.72Å; L257-F272 HydrophobicContact CD2-CE1 3.67Å; L257-F272 HydrophobicContact CD2-CZ 4.14Å; M267-F272 HydrophobicContact SD-CD2 4Å; M267-F272 HydrophobicContact SD-CE2 3.54Å; M267-F272 VanDerWaalsContact SD-CE2 3.54Å; M267-F272 HydrophobicContact SD-CZ 4.49Å; F272-L285 HydrophobicContact CD1-CD2 3.62Å; F272-L285 HydrophobicContact CE1-CD2 4.08Å; F272-L285 HydrophobicContact CG-CD2 4.32Å; F272-V288 HydrophobicContact CE1-CG1 4.39Å; F272-V288 HydrophobicContact CE2-CG1 4.3Å; F272-V288 HydrophobicContact CZ-CG1 3.78Å; F272-A303 VanDerWaalsContact CB-O 3.26Å; F272-A303 WeakPolarHBondContact CB-O 3.43Å; F272-A303 WeakPolarHBondContact CD2-O 3.23Å; F272-A303 PolarHBondContact N-O 2.92Å; F272-L307 HydrophobicContact CB-CD1 4.32Å; F272-L307 HydrophobicContact CB-CD2 4.02Å; F272-L307 HydrophobicContact CB-CG 4.37Å; F272-L307 HydrophobicContact CD2-CD1 4.17Å; F272-L307 HydrophobicContact CG-CD1 4.23Å
273C90.6Very high88.6Confident15 Ų1586 Ų8610%0.10141%0.405CS..SBendtrans-108.3151.2-173.5-56.50000112.3D270 M275 A303 C306D270-C273 CarbonylContact C-O 3.37Å; D270-C273 VanDerWaalsContact CA-O 3.28Å; D270-C273 WeakPolarHBondContact CA-O 3.45Å; C273-M275 PolarHBondContact O-N 2.77Å; C273-A303 PolarHBondContact N-O 3.28Å; C273-A303 VanDerWaalsContact SG-C 3.54Å; C273-A303 PolarHBondContact SG-O 2.94Å; C273-C306 WeakPolarHBondContact CA-SG 3.43Å; C273-C306 HydrophobicContact CB-CB 3.8Å; C273-C306 WeakPolarHBondContact CB-SG 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 2.95Å; C273-C306 PolarHBondContact SG-N 2.99Å; C273-C306 CovalentContact SG-SG 2.03Å; C273-C306 PolarHBondContact SG-SG 3.1Å
274K85.9Confident88.5Confident97 Ų9784 Ų8442%0.42240%0.4SS..  trans-86.7107.1176.1-67.7176.9-175.2166.20109E252 K276 D277 Y280E252-K274 WeakPolarHBondContact OE1-CE 3.34Å; E252-K274 IonicContact OE1-NZ 3.65Å; E252-K274 PolarHBondContact OE1-NZ 3.25Å; K274-K276 PolarHBondContact O-N 3.4Å; K274-D277 HydrophobicContact CB-CB 4.24Å; K274-D277 PolarHBondContact O-N 3.27Å; K274-Y280 HydrophobicContact CB-CD1 4.09Å; K274-Y280 HydrophobicContact CB-CG 4.21Å; K274-Y280 HydrophobicContact CD-CD1 4.2Å; K274-Y280 HydrophobicContact CD-CD2 3.8Å; K274-Y280 HydrophobicContact CD-CE1 4.28Å; K274-Y280 HydrophobicContact CD-CE2 3.92Å; K274-Y280 HydrophobicContact CD-CG 3.95Å; K274-Y280 HydrophobicContact CG-CD1 3.96Å; K274-Y280 HydrophobicContact CG-CD2 4.46Å; K274-Y280 HydrophobicContact CG-CE1 4.06Å; K274-Y280 HydrophobicContact CG-CG 4.15Å
275M76.7Confident88.5Confident98 Ų9884.1 Ų84.148%0.48340%0.4SS..THydrogen-bonded Turntrans-54.9-23-178.6-75.1-161.980.400115.2E269 D270 C273E269-M275 HydrophobicContact CB-CE 3.85Å; E269-M275 HydrophobicContact CB-CG 4.19Å; E269-M275 HydrophobicContact CB-SD 3.78Å; E269-M275 WeakPolarHBondContact OE2-CE 3.49Å; D270-M275 HydrophobicContact CB-CG 3.87Å; D270-M275 HydrophobicContact CB-SD 4.29Å; C273-M275 PolarHBondContact O-N 2.77Å
276K80.3Confident88.6Confident208 Ų20882.7 Ų82.790%0.90439%0.393SS*.THydrogen-bonded Turntrans-94.9-3.7-179-63.8-175.7179.9178.30114K274K274-K276 PolarHBondContact O-N 3.4Å
277D83.7Confident89Confident73 Ų7378.3 Ų78.339%0.3938%0.375SS..  trans-133.193.5-177.5-173.3-2.1000110.5K274 N279 Y280K274-D277 HydrophobicContact CB-CB 4.24Å; K274-D277 PolarHBondContact O-N 3.27Å; D277-N279 PolarHBondContact O-N 3.19Å; D277-N279 PolarHBondContact OD1-N 3.44Å; D277-N279 VanDerWaalsContact OD1-N 3.09Å; D277-Y280 WeakPolarHBondContact O-CB 3.04Å; D277-Y280 PolarHBondContact O-N 3.48Å; D277-Y280 VanDerWaalsContact O-N 3.13Å; D277-Y280 PolarHBondContact OD1-N 3.07Å
278F77.1Confident89.2Confident192 Ų19278.1 Ų78.184%0.84237%0.374SS*.THydrogen-bonded Turntrans-70.9-12.5179.8-60.9-74.3000113.8
279N84.1Confident89.5Confident145 Ų14576.5 Ų76.578%0.77536%0.363SS*.THydrogen-bonded Turntrans-94-4.2174.2-64.4-46.3000112.1D277 V281D277-N279 PolarHBondContact O-N 3.19Å; D277-N279 PolarHBondContact OD1-N 3.44Å; D277-N279 VanDerWaalsContact OD1-N 3.09Å; N279-V281 PolarHBondContact O-N 3.42Å
280Y88.1Confident89.9Confident32 Ų3272.8 Ų72.813%0.12535%0.345CS..  trans-67.1122177.9176.4-104.1000109.7E252 K274 D277 R282 C306E252-Y280 VanDerWaalsContact CD-OH 3.29Å; E252-Y280 PolarHBondContact OE1-OH 2.66Å; E252-Y280 PolarHBondContact OE2-OH 3.49Å; K274-Y280 HydrophobicContact CB-CD1 4.09Å; K274-Y280 HydrophobicContact CB-CG 4.21Å; K274-Y280 HydrophobicContact CD-CD1 4.2Å; K274-Y280 HydrophobicContact CD-CD2 3.8Å; K274-Y280 HydrophobicContact CD-CE1 4.28Å; K274-Y280 HydrophobicContact CD-CE2 3.92Å; K274-Y280 HydrophobicContact CD-CG 3.95Å; K274-Y280 HydrophobicContact CG-CD1 3.96Å; K274-Y280 HydrophobicContact CG-CD2 4.46Å; K274-Y280 HydrophobicContact CG-CE1 4.06Å; K274-Y280 HydrophobicContact CG-CG 4.15Å; D277-Y280 WeakPolarHBondContact O-CB 3.04Å; D277-Y280 PolarHBondContact O-N 3.48Å; D277-Y280 VanDerWaalsContact O-N 3.13Å; D277-Y280 PolarHBondContact OD1-N 3.07Å; Y280-R282 HydrophobicContact CE1-CB 3.86Å; Y280-R282 WeakPolarHBondContact OH-CG 3.44Å; Y280-C306 HydrophobicContact CD1-CB 4.14Å; Y280-C306 WeakPolarHBondContact O-CB 3.45Å
281V90.1Very high90.2Very high79 Ų7970.2 Ų70.248%0.47933%0.332SS..  trans-121.8118.8174.5-179.30000107.8N279 R283 C306N279-V281 PolarHBondContact O-N 3.42Å; V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 HydrophobicContact CB-CG 4.44Å; V281-R283 HydrophobicContact CG1-CG 3.77Å; V281-R283 PolarHBondContact O-N 3.28Å; V281-R283 VanDerWaalsContact O-N 3.08Å; V281-C306 WeakPolarHBondContact CA-O 3.49Å; V281-C306 WeakPolarHBondContact CG1-O 3.43Å
282R93.6Very high90.4Very high12 Ų1272 Ų725%0.04535%0.351CS..  trans-87.675.8178.8-169.4176.1-178.6172.70.3109.8P251 Y280 A284 L285 C306 L307 P308P251-R282 PolarHBondContact O-NH2 3.47Å; Y280-R282 HydrophobicContact CE1-CB 3.86Å; Y280-R282 WeakPolarHBondContact OH-CG 3.44Å; R282-A284 PolarHBondContact O-N 2.8Å; R282-L285 HydrophobicContact CG-CB 4Å; R282-L285 PolarHBondContact O-N 2.89Å; R282-C306 PolarHBondContact N-O 3.24Å; R282-L307 HydrophobicContact CB-CD2 4.01Å; R282-L307 HydrophobicContact CG-CD2 4.49Å; R282-P308 VanDerWaalsContact O-CD 3.29Å; R282-P308 WeakPolarHBondContact O-CD 3.15Å
283R92.1Very high90.5Very high198 Ų19872 Ų7275%0.74735%0.352SS*.THydrogen-bonded Turntrans-62.4-27.8-175-63.7-176.1-176.7174.81114.2V281V281-R283 VanDerWaalsContact C-N 3.32Å; V281-R283 HydrophobicContact CB-CG 4.44Å; V281-R283 HydrophobicContact CG1-CG 3.77Å; V281-R283 PolarHBondContact O-N 3.28Å; V281-R283 VanDerWaalsContact O-N 3.08Å
284A94.5Very high90.7Very high36 Ų3674.9 Ų74.930%0.29837%0.37SS..THydrogen-bonded Turntrans-67.3-41.3-178.100000111.8L254 Q255 R282 E286L254-A284 CarbonylContact O-C 3.51Å; Q255-A284 WeakPolarHBondContact CA-O 3.3Å; R282-A284 PolarHBondContact O-N 2.8Å; A284-E286 PolarHBondContact O-N 3.22Å; A284-E286 VanDerWaalsContact O-N 3.1Å
285L96.1Very high91.1Very high1 Ų170.5 Ų70.51%0.00535%0.351CS..  trans-80.595.4-173.4-172.962.1000110.4L254 L257 F272 R282 V288 L307 P308L254-L285 HydrophobicContact CB-CD1 4.47Å; L254-L285 HydrophobicContact CD2-CD1 4.21Å; L254-L285 HydrophobicContact CG-CD1 4.15Å; L254-L285 VanDerWaalsContact O-CA 3.27Å; L254-L285 WeakPolarHBondContact O-CA 3.19Å; L254-L285 WeakPolarHBondContact O-CB 3.01Å; L254-L285 PolarHBondContact O-N 3.17Å; L257-L285 HydrophobicContact CB-CD1 4.18Å; F272-L285 HydrophobicContact CD1-CD2 3.62Å; F272-L285 HydrophobicContact CE1-CD2 4.08Å; F272-L285 HydrophobicContact CG-CD2 4.32Å; R282-L285 HydrophobicContact CG-CB 4Å; R282-L285 PolarHBondContact O-N 2.89Å; L285-V288 HydrophobicContact CD1-CG2 3.9Å; L285-V288 HydrophobicContact CD2-CG2 3.68Å; L285-V288 HydrophobicContact CG-CG2 3.61Å; L285-L307 HydrophobicContact CB-CD2 4.14Å; L285-L307 HydrophobicContact CD2-CD1 4.42Å; L285-L307 HydrophobicContact CD2-CD2 3.9Å; L285-L307 HydrophobicContact CG-CD2 4.27Å; L285-P308 VanDerWaalsContact O-CD 3.28Å; L285-P308 WeakPolarHBondContact O-CD 3.39Å; L285-P308 WeakPolarHBondContact O-CG 3.42Å
286E94.6Very high91.8Very high90 Ų9067 Ų6742%0.42134%0.335SS..  trans-98.1-30-171-76.2-165.8-155.300114.3Q255 A284 P308 R309Q255-E286 PolarHBondContact O-N 3.14Å; A284-E286 PolarHBondContact O-N 3.22Å; A284-E286 VanDerWaalsContact O-N 3.1Å; E286-P308 HydrophobicContact CG-CG 4.42Å; E286-R309 IonicContact OE2-CZ 2.91Å; E286-R309 IonicContact OE2-NH1 3.85Å; E286-R309 PolarHBondContact OE2-NH1 3.33Å; E286-R309 IonicContact OE2-NH2 3.77Å
287D96.7Very high92.3Very high53 Ų5357.3 Ų57.328%0.28329%0.293SS..EExtended strand (participates in β ladder)trans-132.3112-175.2-175.419.2000110.2Q255 V256 L257 H258 R289Q255-D287 PolarHBondContact O-N 3.04Å; V256-D287 WeakPolarHBondContact CA-O 3.39Å; V256-D287 HydrophobicContact CG1-CB 4.33Å; V256-D287 HydrophobicContact CG2-CB 4.3Å; L257-D287 PolarHBondContact N-O 2.77Å; H258-D287 IonicContact CD2-OD2 3.5Å; H258-D287 IonicContact CE1-OD2 3.46Å; H258-D287 IonicContact NE2-OD2 3.22Å; H258-D287 PolarHBondContact NE2-OD2 2.95Å; D287-R289 WeakPolarHBondContact OD1-CG 3.34Å
288V97.1Very high92.7Very high5 Ų557 Ų573%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-123.2118.3176.6-178.10000108.1L257 F272 L285 L290 L307 P311 V312L257-V288 HydrophobicContact CD2-CG1 4.43Å; L257-V288 WeakPolarHBondContact O-CA 3.07Å; F272-V288 HydrophobicContact CE1-CG1 4.39Å; F272-V288 HydrophobicContact CE2-CG1 4.3Å; F272-V288 HydrophobicContact CZ-CG1 3.78Å; L285-V288 HydrophobicContact CD1-CG2 3.9Å; L285-V288 HydrophobicContact CD2-CG2 3.68Å; L285-V288 HydrophobicContact CG-CG2 3.61Å; V288-L290 HydrophobicContact CG1-CD1 4.24Å; V288-L290 HydrophobicContact CG1-CG 4.29Å; V288-L307 HydrophobicContact CG2-CD1 4.05Å; V288-P311 HydrophobicContact CB-CB 4.04Å; V288-P311 HydrophobicContact CB-CG 4.3Å; V288-P311 HydrophobicContact CG1-CB 3.99Å; V288-P311 HydrophobicContact CG1-CG 4.34Å; V288-P311 CarbonylContact O-C 3.05Å; V288-P311 VanDerWaalsContact O-CA 3.31Å; V288-P311 WeakPolarHBondContact O-CA 3.09Å; V288-V312 PolarHBondContact O-N 2.87Å
289R97.1Very high93.3Very high87 Ų8755.7 Ų55.733%0.32829%0.291SS..EExtended strand (participates in β ladder)trans-118.6118.7-179.3-64-163.959.4176.72.4111.2L257 L259 Q260 D287 D291 V312L257-R289 PolarHBondContact O-N 3.37Å; L259-R289 CarbonylContact C-O 3.58Å; L259-R289 WeakPolarHBondContact CA-O 3.02Å; L259-R289 PolarHBondContact N-O 2.84Å; Q260-R289 HydrophobicContact CG-CB 3.7Å; Q260-R289 PolarHBondContact N-O 2.94Å; Q260-R289 VanDerWaalsContact NE2-NE 3.16Å; D287-R289 WeakPolarHBondContact OD1-CG 3.34Å; R289-D291 IonicContact CZ-OD1 3.27Å; R289-D291 IonicContact CZ-OD2 3.28Å; R289-D291 IonicContact NE-OD1 2.89Å; R289-D291 PolarHBondContact NE-OD1 3.07Å; R289-D291 IonicContact NH2-OD1 3.42Å; R289-D291 PolarHBondContact NH2-OD1 3.3Å; R289-D291 IonicContact NH2-OD2 2.8Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; R289-V312 HydrophobicContact CG-CB 4.27Å; R289-V312 HydrophobicContact CG-CG2 4.36Å
290L96.3Very high93.6Very high0 Ų050 Ų500%026%0.261CS..  trans-1247.7-178.3-70165.6000111.6I246 L259 I264 V288 N293 I295 L297 P311 V312I246-L290 HydrophobicContact CD1-CD2 4.2Å; I246-L290 HydrophobicContact CG1-CD2 4.41Å; L259-L290 HydrophobicContact CB-CD2 3.89Å; L259-L290 HydrophobicContact CD1-CD2 3.99Å; I264-L290 HydrophobicContact CD1-CD2 3.97Å; V288-L290 HydrophobicContact CG1-CD1 4.24Å; V288-L290 HydrophobicContact CG1-CG 4.29Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-N 2.97Å; L290-N293 PolarHBondContact O-ND2 3.01Å; L290-I295 HydrophobicContact CB-CG2 4.33Å; L290-L297 HydrophobicContact CD1-CD2 3.95Å; L290-P311 HydrophobicContact CD1-CB 4.35Å; L290-V312 CarbonylContact C-O 3.51Å; L290-V312 WeakPolarHBondContact CA-O 3.47Å; L290-V312 PolarHBondContact N-O 3.26Å
291D95.3Very high93.7Very high40 Ų4050.4 Ų50.421%0.21427%0.267CS..THydrogen-bonded Turntrans-55.7146.517746.9-64.4000112.5Q260 N261 R289 N293 V312Q260-D291 CarbonylContact C-O 3.56Å; Q260-D291 WeakPolarHBondContact CA-O 3.47Å; Q260-D291 VanDerWaalsContact CB-O 3.25Å; Q260-D291 WeakPolarHBondContact CB-O 3.36Å; Q260-D291 VanDerWaalsContact CG-CG 3.44Å; Q260-D291 WeakPolarHBondContact CG-OD1 3.27Å; N261-D291 PolarHBondContact N-O 2.58Å; R289-D291 IonicContact CZ-OD1 3.27Å; R289-D291 IonicContact CZ-OD2 3.28Å; R289-D291 IonicContact NE-OD1 2.89Å; R289-D291 PolarHBondContact NE-OD1 3.07Å; R289-D291 IonicContact NH2-OD1 3.42Å; R289-D291 PolarHBondContact NH2-OD1 3.3Å; R289-D291 IonicContact NH2-OD2 2.8Å; R289-D291 PolarHBondContact NH2-OD2 3.43Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.03Å; D291-V312 HydrophobicContact CB-CG1 4.4Å; D291-V312 PolarHBondContact N-O 3.01Å
292G94.9Very high93.7Very high45 Ų4553.3 Ų53.346%0.46427%0.271SS..THydrogen-bonded Turntrans74.210.9-176.100000115.4
293N96.3Very high93.7Very high5 Ų552.7 Ų52.73%0.02727%0.269CS..SBendtrans-102.2151.2168.1-71.9-88.1000111.4L259 N262 N263 I264 L290 D291 I295L259-N293 PolarHBondContact O-ND2 3.19Å; N262-N293 WeakPolarHBondContact CA-OD1 3.37Å; N262-N293 WeakPolarHBondContact CB-OD1 3.29Å; N262-N293 PolarHBondContact N-OD1 2.79Å; N262-N293 PolarHBondContact O-OD1 3.24Å; N263-N293 PolarHBondContact N-OD1 3.2Å; I264-N293 HydrophobicContact CB-CB 4.11Å; I264-N293 VanDerWaalsContact CB-OD1 3.32Å; I264-N293 WeakPolarHBondContact CB-OD1 3.29Å; I264-N293 WeakPolarHBondContact CG1-OD1 3.35Å; I264-N293 PolarHBondContact N-OD1 3.09Å; L290-N293 WeakPolarHBondContact O-CB 3.37Å; L290-N293 PolarHBondContact O-N 2.97Å; L290-N293 PolarHBondContact O-ND2 3.01Å; D291-N293 VanDerWaalsContact C-N 3.27Å; D291-N293 PolarHBondContact O-N 3.03Å; N293-I295 HydrophobicContact CB-CB 4.47Å; N293-I295 HydrophobicContact CB-CG2 3.9Å; N293-I295 PolarHBondContact O-N 3.27Å
294P94.7Very high93.7Very high76 Ų7644.4 Ų44.449%0.49424%0.237SC..SBendtrans-74.928.5173.133.7-36.9000113.9I264 Q265I264-P294 CarbonylContact O-C 3.15Å; I264-P294 VanDerWaalsContact O-CD 3.22Å; I264-P294 WeakPolarHBondContact O-CD 3.45Å; I264-P294 WeakPolarHBondContact O-CG 3.47Å; Q265-P294 HydrophobicContact CG-CG 3.8Å
295I94Very high93.5Very high5 Ų548.2 Ų48.23%0.02625%0.251CS..  trans-86.7138.5178.5-170.7169.8000110.6I264 M267 L290 N293 L297I264-I295 HydrophobicContact CG2-CD1 4.13Å; I264-I295 WeakPolarHBondContact O-CB 3.46Å; I264-I295 PolarHBondContact O-N 2.64Å; I264-I295 VanDerWaalsContact O-N 3.08Å; M267-I295 HydrophobicContact CB-CD1 3.68Å; L290-I295 HydrophobicContact CB-CG2 4.33Å; N293-I295 HydrophobicContact CB-CB 4.47Å; N293-I295 HydrophobicContact CB-CG2 3.9Å; N293-I295 PolarHBondContact O-N 3.27Å; I295-L297 HydrophobicContact CD1-CD2 4.12Å; I295-L297 HydrophobicContact CG1-CD2 4.37Å; I295-L297 HydrophobicContact CG2-CD2 4.45Å
296N91.9Very high93.3Very high26 Ų2648.8 Ų48.814%0.13925%0.254CS..  trans-105.8105.7170179.8-22.4000109.3S298 K299 I316N296-S298 VanDerWaalsContact C-N 3.26Å; N296-S298 PolarHBondContact O-N 3.15Å; N296-S298 WeakPolarHBondContact OD1-CA 3.47Å; N296-S298 VanDerWaalsContact OD1-CB 3.23Å; N296-S298 WeakPolarHBondContact OD1-CB 3.49Å; N296-S298 PolarHBondContact OD1-N 3.16Å; N296-K299 HydrophobicContact CB-CD 4.17Å; N296-K299 HydrophobicContact CB-CG 4.16Å; N296-K299 PolarHBondContact O-N 3.4Å; N296-I316 VanDerWaalsContact CG-O 3.24Å; N296-I316 PolarHBondContact ND2-O 3.07Å; N296-I316 PolarHBondContact ND2-OXT 3.11Å
297L91.2Very high93.3Very high4 Ų445.3 Ų45.32%0.02124%0.238CC..G310 helixtrans-67.3-26.4-178.2-63.8177.6000112.9M267 L290 I295 K299 T300 Y304 P311 N314 L315M267-L297 HydrophobicContact CE-CD2 4.03Å; L290-L297 HydrophobicContact CD1-CD2 3.95Å; I295-L297 HydrophobicContact CD1-CD2 4.12Å; I295-L297 HydrophobicContact CG1-CD2 4.37Å; I295-L297 HydrophobicContact CG2-CD2 4.45Å; L297-K299 PolarHBondContact O-N 3.24Å; L297-T300 PolarHBondContact O-N 3.25Å; L297-Y304 HydrophobicContact CB-CE1 4.25Å; L297-Y304 PolarHBondContact O-OH 2.66Å; L297-Y304 VanDerWaalsContact O-OH 3.14Å; L297-P311 HydrophobicContact CD1-CB 4.38Å; L297-N314 WeakPolarHBondContact CG-O 3.2Å; L297-N314 PolarHBondContact N-O 3.2Å; L297-N314 VanDerWaalsContact N-O 3.09Å; L297-L315 HydrophobicContact CB-CD2 3.86Å
298S90.7Very high93.1Very high67 Ų6746 Ų4647%0.46925%0.246SC..G310 helixtrans-67-19179.2-55.90000113.1N296 L315N296-S298 VanDerWaalsContact C-N 3.26Å; N296-S298 PolarHBondContact O-N 3.15Å; N296-S298 WeakPolarHBondContact OD1-CA 3.47Å; N296-S298 VanDerWaalsContact OD1-CB 3.23Å; N296-S298 WeakPolarHBondContact OD1-CB 3.49Å; N296-S298 PolarHBondContact OD1-N 3.16Å; S298-L315 PolarHBondContact OG-O 3.11Å
299K90.9Very high92.9Very high164 Ų16452.9 Ų52.971%0.71327%0.272SS*.G310 helixtrans-72.7-31.2177.2-70.1-175.6179.3177.10113.2N296 L297N296-K299 HydrophobicContact CB-CD 4.17Å; N296-K299 HydrophobicContact CB-CG 4.16Å; N296-K299 PolarHBondContact O-N 3.4Å; L297-K299 PolarHBondContact O-N 3.24Å
300T90.6Very high92.7Very high25 Ų2555.2 Ų55.215%0.15329%0.29CS..  trans-135.363.8-173.4500000112.5M267 L297 Y302 A303 Y304M267-T300 WeakPolarHBondContact CE-OG1 3.46Å; M267-T300 WeakPolarHBondContact O-CG2 3.27Å; M267-T300 PolarHBondContact O-OG1 3.04Å; L297-T300 PolarHBondContact O-N 3.25Å; T300-Y302 VanDerWaalsContact C-N 3.3Å; T300-Y302 PolarHBondContact O-N 2.98Å; T300-A303 VanDerWaalsContact O-CB 3.32Å; T300-A303 WeakPolarHBondContact O-CB 3.47Å; T300-A303 PolarHBondContact O-N 3.15Å; T300-Y304 WeakPolarHBondContact O-CE1 3.39Å
301P90.2Very high92.6Very high40 Ų4055.8 Ų55.826%0.2629%0.294SS..G310 helixtrans-65-32.5-176.428.3-36.2000113.1A303 Y304 M305P301-A303 PolarHBondContact O-N 3.4Å; P301-A303 VanDerWaalsContact O-N 3.14Å; P301-Y304 PolarHBondContact O-N 3.23Å; P301-M305 HydrophobicContact CB-CE 3.8Å; P301-M305 HydrophobicContact CG-CE 4.15Å; P301-M305 WeakPolarHBondContact O-CG 3.3Å; P301-M305 PolarHBondContact O-N 3.49Å
302Y89.8Confident92.6Very high140 Ų14057.2 Ų57.255%0.54930%0.304SS..G310 helixtrans-60.8-23.5179.2-61.4-67.2000113.7T300 Y304 M305T300-Y302 VanDerWaalsContact C-N 3.3Å; T300-Y302 PolarHBondContact O-N 2.98Å; Y302-Y304 PolarHBondContact O-N 2.77Å; Y302-M305 HydrophobicContact CD1-CE 3.66Å; Y302-M305 HydrophobicContact CD1-SD 3.6Å; Y302-M305 VanDerWaalsContact CD1-SD 3.6Å; Y302-M305 HydrophobicContact CE1-CE 3.74Å; Y302-M305 HydrophobicContact CE1-SD 3.97Å; Y302-M305 HydrophobicContact CG-CE 4.33Å
303A91.9Very high92.3Very high0 Ų056.1 Ų56.10%029%0.292CS..G310 helixtrans-64.4-22.2-179.600000113.6M267 H268 E269 F272 C273 T300 P301M267-A303 HydrophobicContact CE-CB 3.55Å; M267-A303 HydrophobicContact CG-CB 3.99Å; M267-A303 HydrophobicContact SD-CB 3.66Å; H268-A303 VanDerWaalsContact O-CB 3.28Å; H268-A303 WeakPolarHBondContact O-CB 3.28Å; E269-A303 WeakPolarHBondContact O-CA 3.42Å; F272-A303 VanDerWaalsContact CB-O 3.26Å; F272-A303 WeakPolarHBondContact CB-O 3.43Å; F272-A303 WeakPolarHBondContact CD2-O 3.23Å; F272-A303 PolarHBondContact N-O 2.92Å; C273-A303 PolarHBondContact N-O 3.28Å; C273-A303 VanDerWaalsContact SG-C 3.54Å; C273-A303 PolarHBondContact SG-O 2.94Å; T300-A303 VanDerWaalsContact O-CB 3.32Å; T300-A303 WeakPolarHBondContact O-CB 3.47Å; T300-A303 PolarHBondContact O-N 3.15Å; P301-A303 PolarHBondContact O-N 3.4Å; P301-A303 VanDerWaalsContact O-N 3.14Å
304Y92.4Very high91.8Very high23 Ų2360.1 Ų60.19%0.0931%0.313CS..THydrogen-bonded Turntrans-130.85.6-175.354.8-98.3000114.6M267 L297 T300 P301 Y302 C306 L307 L310 P311M267-Y304 HydrophobicContact CE-CD1 3.76Å; M267-Y304 HydrophobicContact CE-CE1 4.07Å; L297-Y304 HydrophobicContact CB-CE1 4.25Å; L297-Y304 PolarHBondContact O-OH 2.66Å; L297-Y304 VanDerWaalsContact O-OH 3.14Å; T300-Y304 WeakPolarHBondContact O-CE1 3.39Å; P301-Y304 PolarHBondContact O-N 3.23Å; Y302-Y304 PolarHBondContact O-N 2.77Å; Y304-C306 PolarHBondContact O-N 3.21Å; Y304-L307 WeakPolarHBondContact O-CB 3.15Å; Y304-L307 WeakPolarHBondContact O-CG 3.42Å; Y304-L307 PolarHBondContact O-N 3.18Å; Y304-L310 HydrophobicContact CD2-CD2 3.84Å; Y304-L310 HydrophobicContact CE2-CD2 3.7Å; Y304-P311 HydrophobicContact CD1-CG 4.29Å; Y304-P311 HydrophobicContact CD2-CG 4.36Å; Y304-P311 HydrophobicContact CG-CG 3.88Å
305M91.1Very high91Very high117 Ų11761.5 Ų61.558%0.57632%0.316SS*.THydrogen-bonded Turntrans-63.2-24.1178.2-76.7-174.7-16900114P301 Y302 L307P301-M305 HydrophobicContact CB-CE 3.8Å; P301-M305 HydrophobicContact CG-CE 4.15Å; P301-M305 WeakPolarHBondContact O-CG 3.3Å; P301-M305 PolarHBondContact O-N 3.49Å; Y302-M305 HydrophobicContact CD1-CE 3.66Å; Y302-M305 HydrophobicContact CD1-SD 3.6Å; Y302-M305 VanDerWaalsContact CD1-SD 3.6Å; Y302-M305 HydrophobicContact CE1-CE 3.74Å; Y302-M305 HydrophobicContact CE1-SD 3.97Å; Y302-M305 HydrophobicContact CG-CE 4.33Å; M305-L307 PolarHBondContact O-N 3.42Å
306C92.1Very high89.7Confident12 Ų1270.4 Ų70.48%0.08136%0.362CS..THydrogen-bonded Turntrans-78.3-6.2176.364.40000113.6C273 Y280 V281 R282 Y304C273-C306 WeakPolarHBondContact CA-SG 3.43Å; C273-C306 HydrophobicContact CB-CB 3.8Å; C273-C306 WeakPolarHBondContact CB-SG 3.31Å; C273-C306 WeakPolarHBondContact SG-CB 2.95Å; C273-C306 PolarHBondContact SG-N 2.99Å; C273-C306 CovalentContact SG-SG 2.03Å; C273-C306 PolarHBondContact SG-SG 3.1Å; Y280-C306 HydrophobicContact CD1-CB 4.14Å; Y280-C306 WeakPolarHBondContact O-CB 3.45Å; V281-C306 WeakPolarHBondContact CA-O 3.49Å; V281-C306 WeakPolarHBondContact CG1-O 3.43Å; R282-C306 PolarHBondContact N-O 3.24Å; Y304-C306 PolarHBondContact O-N 3.21Å
307L94.2Very high89.6Confident17 Ų1772.7 Ų72.79%0.08937%0.373CS..SBendtrans-83.6145.3-177.7-58.2-173.7000110.9F272 R282 L285 V288 Y304 M305 R309 P311F272-L307 HydrophobicContact CB-CD1 4.32Å; F272-L307 HydrophobicContact CB-CD2 4.02Å; F272-L307 HydrophobicContact CB-CG 4.37Å; F272-L307 HydrophobicContact CD2-CD1 4.17Å; F272-L307 HydrophobicContact CG-CD1 4.23Å; R282-L307 HydrophobicContact CB-CD2 4.01Å; R282-L307 HydrophobicContact CG-CD2 4.49Å; L285-L307 HydrophobicContact CB-CD2 4.14Å; L285-L307 HydrophobicContact CD2-CD1 4.42Å; L285-L307 HydrophobicContact CD2-CD2 3.9Å; L285-L307 HydrophobicContact CG-CD2 4.27Å; V288-L307 HydrophobicContact CG2-CD1 4.05Å; Y304-L307 WeakPolarHBondContact O-CB 3.15Å; Y304-L307 WeakPolarHBondContact O-CG 3.42Å; Y304-L307 PolarHBondContact O-N 3.18Å; M305-L307 PolarHBondContact O-N 3.42Å; L307-R309 WeakPolarHBondContact CB-O 3.41Å; L307-R309 PolarHBondContact O-N 3.24Å; L307-P311 HydrophobicContact CD1-CG 4.14Å
308P92.8Very high89.5Confident69 Ų6976.3 Ų76.345%0.44839%0.392SS..SBendtrans-67.3-24175.928.2-36.1000113R282 L285 E286R282-P308 VanDerWaalsContact O-CD 3.29Å; R282-P308 WeakPolarHBondContact O-CD 3.15Å; L285-P308 VanDerWaalsContact O-CD 3.28Å; L285-P308 WeakPolarHBondContact O-CD 3.39Å; L285-P308 WeakPolarHBondContact O-CG 3.42Å; E286-P308 HydrophobicContact CG-CG 4.42Å
309R92.9Very high89.5Confident149 Ų14976.8 Ų76.856%0.56239%0.387SS*.SBendtrans-134.7147.5178-61-168.4180113.73.2110.1E286 L307E286-R309 IonicContact OE2-CZ 2.91Å; E286-R309 IonicContact OE2-NH1 3.85Å; E286-R309 PolarHBondContact OE2-NH1 3.33Å; E286-R309 IonicContact OE2-NH2 3.77Å; L307-R309 WeakPolarHBondContact CB-O 3.41Å; L307-R309 PolarHBondContact O-N 3.24Å
310L92.6Very high89.4Confident136 Ų13671.6 Ų71.671%0.71237%0.368SS*.PPolyproline II helixtrans-69.6139.6176.8-67.6169.7000110.4Y304Y304-L310 HydrophobicContact CD2-CD2 3.84Å; Y304-L310 HydrophobicContact CE2-CD2 3.7Å
311P94.5Very high89.3Confident12 Ų1274.6 Ų74.68%0.07838%0.382CS..PPolyproline II helixtrans-59.6143.3171.5-22.933.4000112V288 L290 L297 Y304 L307V288-P311 HydrophobicContact CB-CB 4.04Å; V288-P311 HydrophobicContact CB-CG 4.3Å; V288-P311 HydrophobicContact CG1-CB 3.99Å; V288-P311 HydrophobicContact CG1-CG 4.34Å; V288-P311 CarbonylContact O-C 3.05Å; V288-P311 VanDerWaalsContact O-CA 3.31Å; V288-P311 WeakPolarHBondContact O-CA 3.09Å; L290-P311 HydrophobicContact CD1-CB 4.35Å; L297-P311 HydrophobicContact CD1-CB 4.38Å; Y304-P311 HydrophobicContact CD1-CG 4.29Å; Y304-P311 HydrophobicContact CD2-CG 4.36Å; Y304-P311 HydrophobicContact CG-CG 3.88Å; L307-P311 HydrophobicContact CD1-CG 4.14Å
312V94.6Very high89.2Confident70 Ų7076.9 Ų76.942%0.42439%0.39SS..BIsolated β-bridgetrans-82.7120.6172.5-176.80000108.7V288 R289 L290 D291V288-V312 PolarHBondContact O-N 2.87Å; R289-V312 HydrophobicContact CG-CB 4.27Å; R289-V312 HydrophobicContact CG-CG2 4.36Å; L290-V312 CarbonylContact C-O 3.51Å; L290-V312 WeakPolarHBondContact CA-O 3.47Å; L290-V312 PolarHBondContact N-O 3.26Å; D291-V312 HydrophobicContact CB-CG1 4.4Å; D291-V312 PolarHBondContact N-O 3.01Å
313G88.9Confident89.2Confident22 Ų2272.4 Ų72.423%0.22738%0.378CS..SBendtrans177.6-175.9179.100000112.7
314N85.1Confident89Confident88 Ų8877.9 Ų77.947%0.47141%0.408SS..  trans-80.4139.7-179.3-72.7-16.5000111.8L297L297-N314 WeakPolarHBondContact CG-O 3.2Å; L297-N314 PolarHBondContact N-O 3.2Å; L297-N314 VanDerWaalsContact N-O 3.09Å
315L79.1Confident88.7Confident105 Ų10582.5 Ų82.555%0.5543%0.434SS..  trans-108.66.5-178.9-70.7166.3000113.4L297 S298L297-L315 HydrophobicContact CB-CD2 3.86Å; S298-L315 PolarHBondContact OG-O 3.11Å
316I66.6Low88.5Confident193 Ų19379.4 Ų79.499%0.9942%0.421SS*.  trans-100.90-166-48.4173.3000111.2N296N296-I316 VanDerWaalsContact CG-O 3.24Å; N296-I316 PolarHBondContact ND2-O 3.07Å; N296-I316 PolarHBondContact ND2-OXT 3.11Å

Retrieved 316 of 316 residues in 1733 ms (Link to these results)