A0A087XSJ8_POEFO Loading...

Neurexophilin

May be signaling molecules that resemble neuropeptides.

AlphaFold DB , UniProt , Accession A0A087XSJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M58.6Low66.8Low221 Ų221126.5 Ų126.5100%1.08965%0.645SS**  0-34.80-70.4-166.3-98.600114.5
2R56.5Low67Low222 Ų222124.8 Ų124.884%0.83864%0.638SS**Hα-helixtrans-69.6-31.5-178.6-68.8-177.4176178.2-1.3115.8Q5 T6R2-Q5 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-OG1 3.15Å
3A60Low66.9Low71 Ų71124.5 Ų124.559%0.58764%0.637SS**Hα-helixtrans-72.6-27.6-178.200000114.5T6 L7A3-T6 PolarHBondContact O-OG1 3.38Å; A3-L7 PolarHBondContact O-N 3.25Å
4L65.9Low66.2Low123 Ų123125.7 Ų125.764%0.64464%0.639SS**Hα-helixtrans-74.8-32.3178.5-167.268.4000111.2L8L4-L8 PolarHBondContact O-N 3.18Å; L4-L8 VanDerWaalsContact O-N 3.13Å
5Q67.4Low65.7Low134 Ų134125.9 Ų125.963%0.62664%0.636SS**Hα-helixtrans-72.5-36.1-179.6-148.4168.53.100111.6R2 L9R2-Q5 PolarHBondContact O-N 3.44Å; Q5-L9 PolarHBondContact O-N 3.2Å; Q5-L9 VanDerWaalsContact O-N 3.12Å
6T70.2Confident65.2Low92 Ų92125.6 Ų125.656%0.56464%0.642SS**Hα-helixtrans-69.6-36.2174.648.50000112.6R2 A3 S10R2-T6 PolarHBondContact O-N 3.44Å; R2-T6 PolarHBondContact O-OG1 3.15Å; A3-T6 PolarHBondContact O-OG1 3.38Å; T6-S10 PolarHBondContact O-N 2.73Å
7L72.3Confident64.5Low114 Ų114123.1 Ų123.160%0.59765%0.645SS**Hα-helixtrans-65.5-44.4174.6-98.3151.1000111.8A3 L9 S10 F11A3-L7 PolarHBondContact O-N 3.25Å; L7-L9 PolarHBondContact O-N 3.05Å; L7-S10 PolarHBondContact O-N 3.36Å; L7-S10 PolarHBondContact O-OG 2.94Å; L7-F11 PolarHBondContact O-N 2.59Å
8L72.6Confident63.5Low106 Ų106122.2 Ų122.256%0.55565%0.649SS**Hα-helixtrans-62.7-41.5176.9-114.6123000112.6L4 F11 L12L4-L8 PolarHBondContact O-N 3.18Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L8-F11 PolarHBondContact O-N 3.08Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.01Å
9L72.6Confident62.4Low103 Ų103127.8 Ų127.854%0.53966%0.661SS.*Hα-helixtrans-64.2-40.2175.2-93.6147.7000112.2Q5 L7 F11 L12 L13Q5-L9 PolarHBondContact O-N 3.2Å; Q5-L9 VanDerWaalsContact O-N 3.12Å; L7-L9 PolarHBondContact O-N 3.05Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.23Å; L9-L12 PolarHBondContact O-N 2.99Å; L9-L13 PolarHBondContact O-N 3.12Å
10S68.8Low61.1Low61 Ų61131.2 Ų131.243%0.42767%0.67SS.*Hα-helixtrans-64.7-37.317677.50000112.5T6 L7 L13 H14T6-S10 PolarHBondContact O-N 2.73Å; L7-S10 PolarHBondContact O-N 3.36Å; L7-S10 PolarHBondContact O-OG 2.94Å; S10-L13 PolarHBondContact O-N 3.41Å; S10-H14 PolarHBondContact O-N 3.27Å; S10-H14 VanDerWaalsContact O-N 3.15Å
11F69.8Low59.7Low144 Ų144130.9 Ų130.963%0.63267%0.674SS**Hα-helixtrans-71.3-38.3179.7-147.3-94.1000111.8L7 L8 L9 H14 Q15L7-F11 PolarHBondContact O-N 2.59Å; L8-F11 PolarHBondContact O-N 3.08Å; L9-F11 VanDerWaalsContact C-N 3.33Å; L9-F11 PolarHBondContact O-N 3.23Å; F11-H14 PolarHBondContact O-N 3.21Å; F11-Q15 WeakPolarHBondContact O-CG 3.47Å; F11-Q15 PolarHBondContact O-N 3.01Å
12L69.6Low58.2Low106 Ų106129.2 Ų129.256%0.55566%0.663SS**Hα-helixtrans-66.6-39.8174.8-75.3164.1000112L8 L9 H14 Q15 V16L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 2.99Å; L12-H14 VanDerWaalsContact C-N 3.34Å; L12-H14 PolarHBondContact O-N 2.97Å; L12-Q15 PolarHBondContact O-N 3.25Å; L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 2.82Å
13L66.1Low56.8Low121 Ų121122.5 Ų122.563%0.63466%0.663SS**Hα-helixtrans-64.8-36.2175.5-82.7157.4000112.5L9 S10 V16 A17L9-L13 PolarHBondContact O-N 3.12Å; S10-L13 PolarHBondContact O-N 3.41Å; L13-V16 PolarHBondContact O-N 2.03Å; L13-A17 PolarHBondContact O-N 3.1Å
14H56.7Low55.2Low142 Ų142123.1 Ų123.166%0.65768%0.676SS**Hα-helixtrans-67-37176.2-117.565.9000113.1S10 F11 L12 V16 A17 C18S10-H14 PolarHBondContact O-N 3.27Å; S10-H14 VanDerWaalsContact O-N 3.15Å; F11-H14 PolarHBondContact O-N 3.21Å; L12-H14 VanDerWaalsContact C-N 3.34Å; L12-H14 PolarHBondContact O-N 2.97Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.37Å; H14-A17 PolarHBondContact O-N 3.19Å; H14-C18 PolarHBondContact O-N 3.37Å
15Q58.3Low53.4Low129 Ų129121.7 Ų121.760%0.60368%0.682SS**Hα-helixtrans-68.4-29.9177.5-73.2-80.73.900112.8F11 L12F11-Q15 WeakPolarHBondContact O-CG 3.47Å; F11-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 3.25Å
16V58.3Low51.5Low121 Ų121121.7 Ų121.773%0.73369%0.691SS**Hα-helixtrans-80.4-31177.91780000111.8L12 L13 H14L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 2.82Å; L13-V16 PolarHBondContact O-N 2.03Å; H14-V16 VanDerWaalsContact C-N 3.32Å; H14-V16 PolarHBondContact O-N 3.37Å
17A53.3Low49.5Very low83 Ų83125.2 Ų125.269%0.68670%0.702SS**Hα-helixtrans-80.6-22.7-178.700000114.6L13 H14L13-A17 PolarHBondContact O-N 3.1Å; H14-A17 PolarHBondContact O-N 3.19Å
18C45.8Very low47.4Very low107 Ų107127.8 Ų127.872%0.72372%0.715SS**THydrogen-bonded Turntrans-89.45.9-178.6-84.70000115.2H14H14-C18 PolarHBondContact O-N 3.37Å
19R43.3Very low45.5Very low229 Ų229129 Ų12986%0.86472%0.721SS**  trans-105.958.5-176.8-146179.9-171.1-161.42.9112.8
20K35.3Very low43.2Very low195 Ų195132 Ų13285%0.84873%0.732SS**  trans-166.2122159-128.6171.5-178.6174.90110
21V33.5Very low41.2Very low124 Ų124140.7 Ų140.775%0.75276%0.756SS**  trans154.996.5144.11630000108.1
22H27.1Very low39Very low186 Ų186144.4 Ų144.486%0.86177%0.766SS**  -178.597.8122.3-94.784.9000108.2
23G26.3Very low37Very low82 Ų82146.6 Ų146.685%0.84578%0.778SS**  trans-93141.315900000108.7
24G26.3Very low35.2Very low83 Ų83146 Ų14686%0.85678%0.783SS**  trans-163.6101.4171.500000108.7
25A28.4Very low33.8Very low93 Ų93146.5 Ų146.577%0.76979%0.791SS**  trans-80.5141.8174.500000110.5
26T27.8Very low32.3Very low134 Ų134147.7 Ų147.782%0.82280%0.802SS**  trans179.8142.7130.3140000113
27E27.4Very low30.9Very low167 Ų167149.3 Ų149.378%0.7880%0.801SS**  trans75.790.7150.8-67.8-174158.100121.6
28L29Very low29.7Very low168 Ų168152 Ų15288%0.8880%0.8SS**  trans-49.3117.5143.2-17683.9000111.2
29I31.4Very low28.8Very low130 Ų130156.2 Ų156.267%0.66781%0.806SS**  trans-118.2111.4163.4-64179.5000108.8
30E24.5Very low28Very low167 Ų167152.4 Ų152.478%0.7880%0.801SS**PPolyproline II helixtrans-69.3121.6173.5-175.3-177.717000110.1
31W26.9Very low27.9Very low243 Ų243147.9 Ų147.992%0.9279%0.794SS**PPolyproline II helixtrans-94.9117.8170.5-80.481.3000109
32R24.9Very low28.1Very low223 Ų223147.3 Ų147.384%0.84279%0.793SS**PPolyproline II helixtrans-92.2122.6-177.1-170.1-177.9-140.3175.56110.2
33D26.1Very low28.1Very low151 Ų151145.1 Ų145.181%0.80779%0.793SS**PPolyproline II helixtrans-70.3148165.5-95.9-31000111.4
34S29.1Very low28.1Very low108 Ų108144.4 Ų144.476%0.75579%0.785SS**  trans-153.5101.2160.2-70.50000110.2
35D26.5Very low28.2Very low153 Ų153147.4 Ų147.482%0.81879%0.787SS**  trans-72.4142156.1-76.5-42.3000110.2
36N27.3Very low28.3Very low155 Ų155152.8 Ų152.883%0.82979%0.787SS**  -167.3140.3127.7-119.5-27.2000114.7
37E28.5Very low28.8Very low154 Ų154152.5 Ų152.572%0.7279%0.787SS**  trans-62.6176.4171.1-53.6178.684.400112.1
38Q28.1Very low29.3Very low140 Ų140154.8 Ų154.865%0.65479%0.789SS**  cis179152.623.6-139162.637.800107.2
39K26.7Very low29.7Very low195 Ų195154.9 Ų154.985%0.84879%0.788SS**  trans165.499.5132.9-96.1-179176.4-1800115.6
40I27.7Very low29.7Very low150 Ų150156.8 Ų156.877%0.76980%0.799SS**  33.4130.2117.2-52.8167.4000120.5
41S31.8Very low30.3Very low100 Ų100156.2 Ų156.270%0.69980%0.802SS**  trans-65.6177.8173.571.60000116.3
42P39.2Very low31.1Very low111 Ų111149.2 Ų149.272%0.72179%0.787SS**  -155.5152.784.733.8-10.3000119.7
43T26.6Very low31.6Very low141 Ų141145.6 Ų145.687%0.86578%0.784SS**  trans61.1130.5135.2-40.60000123.9
44G26.3Very low32.6Very low67 Ų67149.5 Ų149.569%0.69179%0.787SS**  trans166.585.1151.200000120.6
45V28Very low33.1Very low146 Ų146151.6 Ų151.689%0.88579%0.789SS**  trans66.4124.1138.1-169.40000122.5
46R30.3Very low33.7Very low206 Ų206154.3 Ų154.378%0.77779%0.794SS**  trans-82.7161.3164-88.8178.7168.8174.6-4.2111.9
47P37.8Very low33.9Very low127 Ų127151.4 Ų151.483%0.82579%0.792SS**  -137.6161107.531.9-16.5000115.6
48R39.2Very low34.3Very low215 Ų215154.3 Ų154.381%0.81180%0.802SS**  trans-80.1145.6176.5-59.5174.9176.9-175.8-1.3111
49I36.1Very low34.3Very low170 Ų170151 Ų15187%0.87281%0.805SS**  trans-139.1145.9155-60.9-177.6000109.5
50L32.9Very low34.6Very low171 Ų171146.9 Ų146.990%0.89580%0.801SS**  trans-76.8154.9-163.2-66.8128.5000115.7
51N35.5Very low35.1Very low155 Ų155145.9 Ų145.983%0.82980%0.804SS**  trans-60.9176161.7-134.35.8000110.9
52P43.8Very low35Very low95 Ų95149.7 Ų149.762%0.61781%0.811SS**  cis-141.5-175.66.136.1-12.7000114.7
53L35.6Very low34.7Very low148 Ų148151.3 Ų151.378%0.77581%0.813SS**  173.5113.6124.1-87.6168000112.9
54R47.3Very low34.9Very low233 Ų233154.1 Ų154.188%0.87981%0.813SS**  trans-72.6134.5152.1-91.4175.7162.1160-5.3108.2
55L40.7Very low35.2Very low151 Ų151155.1 Ų155.179%0.79181%0.81SS**  trans-142.399.8157.2-73.7172.8000110
56F38.6Very low35.3Very low210 Ų210155.2 Ų155.292%0.92181%0.805SS**  trans-95.5115.6147-74.2-79.9000106.3
57A31.9Very low35.4Very low95 Ų95152.6 Ų152.679%0.78580%0.804SS**  trans-160.5100.7160.600000108.1
58K35.3Very low35.4Very low214 Ų214156.9 Ų156.993%0.9380%0.803SS**  trans-97.1115.4162.9-159.5173.3-176.7-178.90106.1
59G29.6Very low35.6Very low70 Ų70155.4 Ų155.472%0.72281%0.806SS**PPolyproline II helixtrans-64.3147.9-170.400000114.4
60S32.5Very low35.8Very low110 Ų110155.5 Ų155.577%0.76981%0.805SS**PPolyproline II helixtrans-69.9157159.248.70000111.6
61P38.3Very low36.2Very low128 Ų128152.6 Ų152.683%0.83179%0.794SS**PPolyproline II helixtrans-103.5126.5145.421.9-5.9000111.2
62E30.1Very low36.6Very low180 Ų180155 Ų15584%0.84179%0.793SS**PPolyproline II helixtrans-46.2163.5153.5-78.8180155.800111.8
63L31.7Very low36.6Very low145 Ų145157.7 Ų157.776%0.75980%0.801SS**  cis-179.5144.34.4160.573.8000103.8
64K32.1Very low37.1Very low200 Ų200157 Ų15787%0.8779%0.794SS**  trans179.5101.2136.9-98.5167.4-171.2-172.60112.9
65S32.2Very low37.1Very low88 Ų88151.6 Ų151.662%0.61578%0.782SS**  32.7125.6127.5-176.70000120.9
66N29.6Very low37.7Very low149 Ų149149.6 Ų149.680%0.79777%0.77SS**  trans82.7117.8143.5-67.2-2.4000120.1
67M33.3Very low38.6Very low151 Ų151145.8 Ų145.874%0.74476%0.756SS**  140115.5118.8-165.286.4158.200111.3
68R38Very low39.8Very low216 Ų216146.2 Ų146.282%0.81574%0.744SS**  trans71.495.5159.2-73.4171.3-177.3178.41.2119.4M70R68-M70 PolarHBondContact O-N 3.44Å
69E42.1Very low40.9Very low185 Ų185141.5 Ų141.586%0.86472%0.724SS**  trans-42.7117.7132.7-174.9169.7-160.200111.1
70M41.1Very low42.3Very low172 Ų172145.7 Ų145.785%0.84772%0.718SS**  trans157.361.3145.8-164.9176.1-73.600112.1R68R68-M70 PolarHBondContact O-N 3.44Å
71T40.9Very low43.6Very low109 Ų109145.6 Ų145.667%0.66971%0.709SS**  trans-16345.9161.9-5.50000113.1
72Y43.8Very low44.7Very low207 Ų207146.6 Ų146.681%0.81270%0.697SS**THydrogen-bonded Turntrans-81.1-10.7-176.4-99.8-89.6000115.8
73L44.4Very low45.8Very low151 Ų151141 Ų14179%0.79167%0.672SS**THydrogen-bonded Turntrans-100-23.1-176.3-67.3178.4000114.8
74Q44.7Very low46.9Very low134 Ų134136.9 Ų136.963%0.62666%0.656SS**Hα-helixtrans-76.4-27.5-179.6-145.986.128.700112.7
75N47.8Very low47.6Very low118 Ų118132.8 Ų132.863%0.63164%0.643SS**Hα-helixtrans-87.2-9-170.5-160.731.3000113.9F79N75-F79 WeakPolarHBondContact O-CB 3.37Å; N75-F79 PolarHBondContact O-N 2.95Å
76M53.5Low48.5Very low109 Ų109133.5 Ų133.554%0.53764%0.637SS.*Hα-helixtrans-81.1-33.9176.8-79.8-162.567.400112.3F79 W80M76-F79 PolarHBondContact O-N 3.03Å; M76-W80 PolarHBondContact O-N 3.14Å; M76-W80 VanDerWaalsContact O-N 3.15Å
77E56.9Low49.6Very low131 Ų131131.8 Ų131.861%0.61263%0.632SS**Hα-helixtrans-68.3-45.2177.7-74.3166.8158.700110.7F79 W80 D81E77-F79 PolarHBondContact O-N 2.92Å; E77-W80 PolarHBondContact O-N 3.49Å; E77-D81 PolarHBondContact O-N 3.24Å
78D57.7Low50.2Low103 Ų103131.4 Ų131.455%0.55163%0.633SS**Hα-helixtrans-61.6-30.9174.6-70.9-23000113W82D78-W82 WeakPolarHBondContact O-CB 3.43Å; D78-W82 PolarHBondContact O-N 3.39Å
79F58.9Low50.5Low115 Ų115126.6 Ų126.650%0.50463%0.627SS.*Hα-helixtrans-71.6-40.6176.7-177-100.4000112.4N75 M76 E77 L83N75-F79 WeakPolarHBondContact O-CB 3.37Å; N75-F79 PolarHBondContact O-N 2.95Å; M76-F79 PolarHBondContact O-N 3.03Å; E77-F79 PolarHBondContact O-N 2.92Å; F79-L83 HydrophobicContact CD1-CD1 3.83Å; F79-L83 HydrophobicContact CE1-CD1 3.37Å; F79-L83 HydrophobicContact CE1-CG 4.43Å; F79-L83 HydrophobicContact CZ-CD1 3.83Å; F79-L83 WeakPolarHBondContact O-CG 3.36Å; F79-L83 PolarHBondContact O-N 2.91Å
80W59.4Low50.5Low158 Ų158126 Ų12660%0.59862%0.624SS**Hα-helixtrans-71.6-38176.2-72.8113.6000111.8M76 E77 L83 S84M76-W80 PolarHBondContact O-N 3.14Å; M76-W80 VanDerWaalsContact O-N 3.15Å; E77-W80 PolarHBondContact O-N 3.49Å; W80-L83 HydrophobicContact CE3-CD1 4.09Å; W80-L83 HydrophobicContact CZ3-CD1 4.26Å; W80-L83 PolarHBondContact O-N 2.91Å; W80-S84 PolarHBondContact O-N 2.92Å; W80-S84 PolarHBondContact O-OG 2.89Å
81D58.1Low50.3Low108 Ų108120.7 Ų120.758%0.57861%0.614SS**Hα-helixtrans-65.6-37.4175.7-88.7-15000112.6E77 S84 N85E77-D81 PolarHBondContact O-N 3.24Å; D81-S84 WeakPolarHBondContact CA-OG 3.32Å; D81-S84 PolarHBondContact O-OG 3.03Å; D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.49Å; D81-N85 PolarHBondContact O-N 3.27Å
82W61.5Low50.3Low150 Ų150120.1 Ų120.157%0.56862%0.62SS**Hα-helixtrans-65.6-39.2172.9-175.985.4000112.5D78 N85 Q86D78-W82 WeakPolarHBondContact O-CB 3.43Å; D78-W82 PolarHBondContact O-N 3.39Å; W82-N85 PolarHBondContact O-N 2.95Å; W82-Q86 PolarHBondContact O-N 3.04Å; W82-Q86 VanDerWaalsContact O-N 3.12Å
83L54.9Low50.2Low61 Ų61119 Ų11932%0.31962%0.622SS.*Hα-helixtrans-68.1-38.8177-81.1168.2000112.9F79 W80 T87F79-L83 HydrophobicContact CD1-CD1 3.83Å; F79-L83 HydrophobicContact CE1-CD1 3.37Å; F79-L83 HydrophobicContact CE1-CG 4.43Å; F79-L83 HydrophobicContact CZ-CD1 3.83Å; F79-L83 WeakPolarHBondContact O-CG 3.36Å; F79-L83 PolarHBondContact O-N 2.91Å; W80-L83 HydrophobicContact CE3-CD1 4.09Å; W80-L83 HydrophobicContact CZ3-CD1 4.26Å; W80-L83 PolarHBondContact O-N 2.91Å; L83-T87 PolarHBondContact O-N 3.28Å; L83-T87 PolarHBondContact O-OG1 3.15Å; L83-T87 VanDerWaalsContact O-OG1 3.1Å
84S54.3Low50.1Low60 Ų60116.1 Ų116.142%0.4262%0.621SS.*Hα-helixtrans-69.9-37.3174.9420000112.2W80 D81 Q86 T87W80-S84 PolarHBondContact O-N 2.92Å; W80-S84 PolarHBondContact O-OG 2.89Å; D81-S84 WeakPolarHBondContact CA-OG 3.32Å; D81-S84 PolarHBondContact O-OG 3.03Å; S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact O-N 2.8Å; S84-T87 WeakPolarHBondContact CA-OG1 3.31Å; S84-T87 PolarHBondContact O-N 2.9Å; S84-T87 PolarHBondContact O-OG1 2.89Å
85N47Very low49.8Very low114 Ų114121 Ų12161%0.6163%0.633SS**Hα-helixtrans-70.3-27.6178.7-150.1-7.5000112.1D81 W82D81-N85 VanDerWaalsContact O-CB 3.31Å; D81-N85 WeakPolarHBondContact O-CB 3.49Å; D81-N85 PolarHBondContact O-N 3.27Å; W82-N85 PolarHBondContact O-N 2.95Å
86Q51.6Low49.5Very low102 Ų102121.5 Ų121.548%0.47764%0.641SS.*Hα-helixtrans-75.6-22.6174.7-131.2171.563.900113.9W82 S84W82-Q86 PolarHBondContact O-N 3.04Å; W82-Q86 VanDerWaalsContact O-N 3.12Å; S84-Q86 VanDerWaalsContact C-N 3.28Å; S84-Q86 PolarHBondContact O-N 2.8Å
87T50.9Low49.2Very low113 Ų113125.8 Ų125.869%0.69366%0.656SS**Hα-helixtrans-83.3-19.8178.932.80000113.2L83 S84L83-T87 PolarHBondContact O-N 3.28Å; L83-T87 PolarHBondContact O-OG1 3.15Å; L83-T87 VanDerWaalsContact O-OG1 3.1Å; S84-T87 WeakPolarHBondContact CA-OG1 3.31Å; S84-T87 PolarHBondContact O-N 2.9Å; S84-T87 PolarHBondContact O-OG1 2.89Å
88D46.9Very low48.7Very low144 Ų144131 Ų13177%0.7767%0.67SS**Hα-helixtrans-100.1-9.2-174.6-140.29000114.6
89V44.9Very low48.7Very low114 Ų114136.5 Ų136.569%0.69168%0.683SS**SBendtrans-101.8-5.1179.3-173.60000113.3G91V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.75Å
90Q40.8Very low48.2Very low173 Ų173136.7 Ų136.781%0.80870%0.696SS**  trans-92.261.4167.8-79.1178.8-7.900111.4A92Q90-A92 PolarHBondContact O-N 3.35Å
91G38.3Very low48Very low61 Ų61136.6 Ų136.663%0.62971%0.706SS**  trans-52.9130.916200000111.3V89 Q93V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.75Å; G91-Q93 PolarHBondContact O-N 2.85Å
92A40.2Very low47.9Very low97 Ų97135 Ų13580%0.80270%0.7SS**  trans5356.4150.800000117.3Q90Q90-A92 PolarHBondContact O-N 3.35Å
93Q41.5Very low47.4Very low182 Ų182136.6 Ų136.685%0.8571%0.711SS**  trans-108.484147.9-72.5-77.9-42.400107.1G91 R95G91-Q93 PolarHBondContact O-N 2.85Å; Q93-R95 VanDerWaalsContact C-N 3.29Å; Q93-R95 PolarHBondContact O-N 2.88Å
94A41.3Very low47.3Very low92 Ų92140.7 Ų140.776%0.7674%0.739SS**  trans-50.7100166.500000107.6T96A94-T96 PolarHBondContact O-N 3.39Å
95R38.9Very low47.1Very low237 Ų237141.4 Ų141.489%0.89476%0.755SS**  trans-61.994.3174.7-156.6178.5-167.5173.54.4105.1Q93 K97Q93-R95 VanDerWaalsContact C-N 3.29Å; Q93-R95 PolarHBondContact O-N 2.88Å; R95-K97 VanDerWaalsContact C-N 3.34Å; R95-K97 PolarHBondContact O-N 3.21Å
96T42.4Very low47.2Very low127 Ų127145.2 Ų145.278%0.77977%0.767SS**  trans-52.3105.2174.36.50000104.9A94 R98A94-T96 PolarHBondContact O-N 3.39Å; T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.26Å
97K45.9Very low47Very low199 Ų199150.6 Ų150.687%0.86579%0.789SS**  trans-51.8105.1170.4-79.6-176.8176.5179.60104.7R95 R99R95-K97 VanDerWaalsContact C-N 3.34Å; R95-K97 PolarHBondContact O-N 3.21Å; K97-R99 PolarHBondContact O-N 3.32Å
98R47.5Very low47.2Very low242 Ų242152.1 Ų152.191%0.91379%0.786SS**  trans-57.4107177.1-78.9-176.1176.9178.9-0.9105.4T96T96-R98 VanDerWaalsContact C-N 3.3Å; T96-R98 PolarHBondContact O-N 3.26Å
99R58Low47.7Very low218 Ų218151.7 Ų151.782%0.82378%0.777SS**  trans-49.8139.4165.8-62.3178.1-178.5-176.2-0.9106.5K97 I101K97-R99 PolarHBondContact O-N 3.32Å; R99-I101 PolarHBondContact O-N 2.95Å
100P47.2Very low48.4Very low119 Ų119148.8 Ų148.877%0.77376%0.757SS**  trans-54.3117.8167.8-1626.7000107.1V102P100-V102 VanDerWaalsContact C-N 3.31Å; P100-V102 PolarHBondContact O-N 2.8Å
101I55Low49.6Very low155 Ų155141.8 Ų141.880%0.79572%0.723SS**  trans-64.5100.1171.6-78163.9000105.8R99 K103R99-I101 PolarHBondContact O-N 2.95Å; I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 HydrophobicContact CG2-CG 4.37Å; I101-K103 PolarHBondContact O-N 2.87Å
102V57.9Low50.8Low76 Ų76141.4 Ų141.446%0.46172%0.72SS.*  trans-67.8100162.9-178.90000104.5P100 T104 Y253P100-V102 VanDerWaalsContact C-N 3.31Å; P100-V102 PolarHBondContact O-N 2.8Å; V102-T104 PolarHBondContact O-N 2.83Å; V102-Y253 HydrophobicContact CG2-CE2 4.06Å
103K50.7Low52.2Low183 Ų183138.3 Ų138.380%0.79669%0.687SS**  trans-51.6105179.7-69.4-179.4178.4178.20109I101 G105I101-K103 VanDerWaalsContact C-N 3.31Å; I101-K103 HydrophobicContact CG2-CG 4.37Å; I101-K103 PolarHBondContact O-N 2.87Å; K103-G105 PolarHBondContact O-N 2.85Å
104T52.7Low53.7Low147 Ų147131 Ų13190%0.90266%0.662SS**THydrogen-bonded Turntrans-64.8117.1165.622.20000107.7V102V102-T104 PolarHBondContact O-N 2.83Å
105G48.9Very low55.9Low75 Ų75133 Ų13377%0.77366%0.659SS**THydrogen-bonded Turntrans1463.9173.400000117.3K103K103-G105 PolarHBondContact O-N 2.85Å
106K49Very low58.4Low194 Ų194123 Ų12384%0.84362%0.622SS**SBendtrans-143.7142.5165.3-63.4-167.8178-172.30107.4K108K106-K108 PolarHBondContact O-N 2.84Å
107F47.9Very low60.8Low214 Ų214123 Ų12394%0.93961%0.613SS**  trans-18.7105.3179.1-112.2-102000112.4K109F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.02Å
108K55.7Low63.2Low146 Ų146114.3 Ų114.364%0.63558%0.577SS**  trans-66.994.2179.6-179.2-178.5178.2-179.60106.9K106 M110K106-K108 PolarHBondContact O-N 2.84Å; K108-M110 VanDerWaalsContact O-CG 3.31Å; K108-M110 WeakPolarHBondContact O-CG 3.08Å; K108-M110 PolarHBondContact O-N 2.96Å
109K57.3Low65.5Low134 Ų134106.9 Ų106.958%0.58356%0.556SS**  trans-54.2107.3171-164.2-165.7-179.3-168.50106.4F107 F111 G112F107-K109 VanDerWaalsContact C-N 3.3Å; F107-K109 PolarHBondContact O-N 3.02Å; K109-F111 WeakPolarHBondContact CD-O 3.28Å; K109-F111 WeakPolarHBondContact CE-O 3.36Å; K109-F111 VanDerWaalsContact CG-O 3.24Å; K109-F111 WeakPolarHBondContact CG-O 3.44Å; K109-F111 PolarHBondContact O-N 2.79Å; K109-G112 PolarHBondContact NZ-O 2.9Å
110M58.8Low67.3Low54 Ų5497.4 Ų97.427%0.26652%0.521SS..SBendtrans-77-16.4-172.2-63.2-172.8-55.800112.5K108 D135 K225K108-M110 VanDerWaalsContact O-CG 3.31Å; K108-M110 WeakPolarHBondContact O-CG 3.08Å; K108-M110 PolarHBondContact O-N 2.96Å; M110-D135 VanDerWaalsContact CE-CG 3.46Å; M110-D135 WeakPolarHBondContact CE-OD2 3.34Å; M110-K225 WeakPolarHBondContact SD-CE 3.09Å; M110-K225 PolarHBondContact SD-NZ 2.83Å
111F66.4Low69.6Low25 Ų2599.1 Ų99.111%0.1152%0.516CS..  trans-121.7124.1176.6-65.7-76.3000109.6K109 W113 I133 F141 D250K109-F111 WeakPolarHBondContact CD-O 3.28Å; K109-F111 WeakPolarHBondContact CE-O 3.36Å; K109-F111 VanDerWaalsContact CG-O 3.24Å; K109-F111 WeakPolarHBondContact CG-O 3.44Å; K109-F111 PolarHBondContact O-N 2.79Å; F111-W113 AromaticContact CD1-NE1 3.84Å; F111-W113 PolarHBondContact O-N 2.93Å; F111-I133 HydrophobicContact CB-CD1 4.05Å; F111-I133 HydrophobicContact CB-CG2 4.45Å; F111-I133 HydrophobicContact CD1-CD1 3.66Å; F111-I133 HydrophobicContact CD2-CD1 3.4Å; F111-I133 HydrophobicContact CD2-CG1 4.2Å; F111-I133 HydrophobicContact CE1-CD1 3.97Å; F111-I133 HydrophobicContact CE2-CD1 3.74Å; F111-I133 HydrophobicContact CG-CD1 3.38Å; F111-I133 HydrophobicContact CG-CG1 4.45Å; F111-I133 HydrophobicContact CZ-CD1 4.04Å; F111-F141 HydrophobicContact CE1-CE1 4.03Å; F111-F141 HydrophobicContact CE1-CZ 4.1Å; F111-F141 HydrophobicContact CE2-CB 4.39Å; F111-F141 AromaticContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD2 4.46Å; F111-F141 AromaticContact CE2-CE1 3.86Å; F111-F141 HydrophobicContact CE2-CE1 3.86Å; F111-F141 AromaticContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CZ 4.45Å; F111-F141 AromaticContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD1 3.45Å; F111-F141 VanDerWaalsContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD2 4.41Å; F111-F141 AromaticContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE2 4.25Å; F111-F141 HydrophobicContact CZ-CG 4.07Å; F111-F141 AromaticContact CZ-CZ 3.67Å; F111-F141 HydrophobicContact CZ-CZ 3.67Å; F111-D250 WeakPolarHBondContact CA-OD2 3.49Å
112G63.3Low71.6Confident54 Ų5493 Ų9356%0.55749%0.487SS*.SBendtrans-65.8-24.8-179.500000112.9K109 D250K109-G112 PolarHBondContact NZ-O 2.9Å; G112-D250 VanDerWaalsContact CA-OD1 3.3Å; G112-D250 WeakPolarHBondContact CA-OD1 3.25Å; G112-D250 PolarHBondContact N-OD1 3.23Å; G112-D250 PolarHBondContact N-OD2 3.34Å
113W69.6Low73.2Confident31 Ų3195.6 Ų95.612%0.11750%0.502CS..  trans-104.9133.3-173.646.5-58000109.5F111 I133 I230 I232 P249 D250F111-W113 AromaticContact CD1-NE1 3.84Å; F111-W113 PolarHBondContact O-N 2.93Å; W113-I133 WeakPolarHBondContact O-CG2 3.39Å; W113-I230 HydrophobicContact CH2-CD1 3.65Å; W113-I230 HydrophobicContact CH2-CG1 3.76Å; W113-I230 HydrophobicContact CZ2-CD1 3.66Å; W113-I230 HydrophobicContact CZ2-CG1 3.48Å; W113-I230 VanDerWaalsContact CZ2-CG1 3.48Å; W113-I232 HydrophobicContact CE3-CD1 4.47Å; W113-I232 HydrophobicContact CH2-CD1 4.39Å; W113-I232 HydrophobicContact CH2-CG1 4.23Å; W113-I232 HydrophobicContact CZ3-CD1 3.71Å; W113-I232 HydrophobicContact CZ3-CG1 4.04Å; W113-P249 HydrophobicContact CB-CB 3.88Å; W113-P249 HydrophobicContact CD2-CB 3.58Å; W113-P249 HydrophobicContact CD2-CG 3.54Å; W113-P249 HydrophobicContact CE3-CB 4.18Å; W113-P249 HydrophobicContact CE3-CG 3.64Å; W113-P249 HydrophobicContact CG-CB 3.43Å; W113-P249 VanDerWaalsContact CG-CB 3.43Å; W113-P249 HydrophobicContact CG-CG 3.96Å; W113-P249 HydrophobicContact CH2-CG 4.21Å; W113-P249 HydrophobicContact CZ2-CG 4.14Å; W113-P249 HydrophobicContact CZ3-CG 3.99Å; W113-D250 VanDerWaalsContact NE1-CG 3.27Å; W113-D250 PolarHBondContact NE1-OD2 3.03Å
114G73.1Confident75.1Confident30 Ų3092 Ų9231%0.30949%0.486SS..SBendtrans-104.4-62.3179.900000110.7I133G114-I133 PolarHBondContact O-N 2.89Å
115D86.9Confident77.1Confident132 Ų13285.1 Ų85.171%0.70644%0.444SS*.EExtended strand (participates in β ladder)trans-115.1128.6179.9-56.4-39.9000109.4G131D115-G131 CarbonylContact C-O 3.6Å; D115-G131 WeakPolarHBondContact CA-O 3.4Å
116F92.1Very high79.4Confident27 Ų2784.2 Ų84.212%0.11842%0.422CS..EExtended strand (participates in β ladder)trans-99.6137173.7175.1-102.3000109.3I129 T130 G131 F145 I232 I234 V247F116-I129 HydrophobicContact CD1-CG2 4.21Å; F116-I129 HydrophobicContact CE1-CB 4.43Å; F116-I129 HydrophobicContact CE1-CG2 3.93Å; F116-T130 CarbonylContact O-C 3.51Å; F116-T130 WeakPolarHBondContact O-CA 3.2Å; F116-G131 PolarHBondContact N-O 3.22Å; F116-G131 PolarHBondContact O-N 2.84Å; F116-F145 HydrophobicContact CD1-CE1 4.37Å; F116-I232 HydrophobicContact CB-CD1 4.11Å; F116-I232 HydrophobicContact CD1-CD1 3.71Å; F116-I232 HydrophobicContact CD2-CD1 3.42Å; F116-I232 VanDerWaalsContact CD2-CD1 3.42Å; F116-I232 HydrophobicContact CE1-CD1 3.91Å; F116-I232 HydrophobicContact CE1-CG2 4.3Å; F116-I232 HydrophobicContact CE2-CD1 3.64Å; F116-I232 HydrophobicContact CG-CD1 3.45Å; F116-I232 VanDerWaalsContact CG-CD1 3.45Å; F116-I232 HydrophobicContact CZ-CD1 3.88Å; F116-I232 HydrophobicContact CZ-CG2 4.47Å; F116-I234 HydrophobicContact CE1-CD1 4.2Å; F116-I234 HydrophobicContact CZ-CD1 3.9Å; F116-V247 HydrophobicContact CE2-CG1 4.3Å; F116-V247 HydrophobicContact CE2-CG2 4.49Å
117H93.8Very high81.7Confident128 Ų12875 Ų7559%0.59338%0.382SS*.EExtended strand (participates in β ladder)trans-141.5129.2176.9176.5-88.2000109.7L128 I129H117-L128 VanDerWaalsContact NE2-CD1 3.35Å; H117-L128 WeakPolarHBondContact NE2-CD1 3.46Å; H117-I129 WeakPolarHBondContact CA-O 3.22Å
118S95.5Very high84Confident16 Ų1667.6 Ų67.611%0.11235%0.352CS..EExtended strand (participates in β ladder)trans-139.5139.8174.8-177.40000110.5I129S118-I129 PolarHBondContact N-O 3.08Å; S118-I129 PolarHBondContact O-N 2.96Å
119N96.1Very high86Confident87 Ų8760.6 Ų60.647%0.46532%0.321SS..EExtended strand (participates in β ladder)trans-128.9124.7174.8-175.3-70.8000108.8L127 L128N119-L127 WeakPolarHBondContact CA-O 3.38Å; N119-L128 HydrophobicContact CB-CD1 4.42Å
120I96.3Very high87.9Confident19 Ų1956.9 Ų56.910%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-126.4120.1176-60.1160.2000106.9L127 I234 F236 L243I120-L127 HydrophobicContact CB-CB 4.45Å; I120-L127 HydrophobicContact CD1-CD2 4.33Å; I120-L127 PolarHBondContact N-O 2.71Å; I120-L127 PolarHBondContact O-N 3.01Å; I120-I234 HydrophobicContact CD1-CG2 3.85Å; I120-F236 HydrophobicContact CB-CD2 4.12Å; I120-F236 HydrophobicContact CB-CE2 4.27Å; I120-F236 HydrophobicContact CD1-CB 4.45Å; I120-F236 HydrophobicContact CG2-CB 4.48Å; I120-F236 HydrophobicContact CG2-CD1 4.06Å; I120-F236 HydrophobicContact CG2-CD2 3.7Å; I120-F236 HydrophobicContact CG2-CE1 4.17Å; I120-F236 HydrophobicContact CG2-CE2 3.79Å; I120-F236 HydrophobicContact CG2-CG 3.83Å; I120-F236 HydrophobicContact CG2-CZ 4.02Å; I120-L243 HydrophobicContact CD1-CD2 3.9Å
121K95.7Very high89.6Confident154 Ų15454.7 Ų54.767%0.6730%0.301SS*.EExtended strand (participates in β ladder)trans-132.3128-173.7-173.9178.6179-176.50111.2N126K121-N126 HydrophobicContact CG-CB 4.34Å
122T95Very high90.8Very high28 Ų2859 Ų5917%0.17232%0.32CS..  trans-118.6-176.4167.774.30000110K124 L125 F236 D240 Y241T122-K124 PolarHBondContact OG1-N 2.85Å; T122-L125 PolarHBondContact N-O 2.83Å; T122-L125 PolarHBondContact OG1-N 3.36Å; T122-L125 PolarHBondContact OG1-O 2.77Å; T122-F236 HydrophobicContact CG2-CE1 3.56Å; T122-F236 HydrophobicContact CG2-CZ 3.72Å; T122-D240 WeakPolarHBondContact CB-OD1 3.15Å; T122-D240 VanDerWaalsContact CB-OD2 3.28Å; T122-D240 WeakPolarHBondContact CB-OD2 3.38Å; T122-D240 PolarHBondContact OG1-OD1 3.31Å; T122-D240 PolarHBondContact OG1-OD2 2.95Å; T122-Y241 HydrophobicContact CG2-CD2 3.95Å; T122-Y241 HydrophobicContact CG2-CG 4.39Å
123V91.8Very high92.1Very high130 Ų13057.7 Ų57.779%0.78830%0.3SS*.SBendtrans-69.1-30.8175.6179.10000110.3D240V123-D240 PolarHBondContact N-OD2 3.07Å
124K91.8Very high93.1Very high106 Ų10658.6 Ų58.646%0.46131%0.308SS..SBendtrans-105.6-18.2-171.6-61.1-64.2-173.6-178.60114.5T122 G151 M152 V239 D240T122-K124 PolarHBondContact OG1-N 2.85Å; K124-G151 CarbonylContact O-C 3.47Å; K124-G151 WeakPolarHBondContact O-CA 3.34Å; K124-M152 PolarHBondContact O-N 3.47Å; K124-V239 HydrophobicContact CB-CG2 3.5Å; K124-V239 HydrophobicContact CD-CG2 4.37Å; K124-V239 HydrophobicContact CG-CG2 3.58Å; K124-D240 HydrophobicContact CG-CB 4.37Å; K124-D240 PolarHBondContact N-OD2 3.05Å
125L94.6Very high93.8Very high3 Ų360.7 Ų60.72%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-147.2134-179.7-175.865.3000111.2T122 V155 F236 S238T122-L125 PolarHBondContact N-O 2.83Å; T122-L125 PolarHBondContact OG1-N 3.36Å; T122-L125 PolarHBondContact OG1-O 2.77Å; L125-V155 HydrophobicContact CD2-CG1 3.92Å; L125-F236 HydrophobicContact CB-CE2 4.11Å; L125-F236 HydrophobicContact CB-CZ 3.69Å; L125-F236 HydrophobicContact CD2-CD2 4.03Å; L125-F236 HydrophobicContact CD2-CE1 4.23Å; L125-F236 HydrophobicContact CD2-CE2 3.5Å; L125-F236 VanDerWaalsContact CD2-CE2 3.5Å; L125-F236 HydrophobicContact CD2-CZ 3.62Å; L125-F236 HydrophobicContact CG-CE2 3.62Å; L125-F236 HydrophobicContact CG-CZ 3.73Å; L125-S238 VanDerWaalsContact CB-OG 3.22Å; L125-S238 WeakPolarHBondContact CB-OG 3.23Å
126N96.6Very high93.9Very high56 Ų5658.2 Ų58.230%0.29930%0.297SS..EExtended strand (participates in β ladder)trans-116.5133.7171.7-176.921.3000108.8K121 S149 T150K121-N126 HydrophobicContact CG-CB 4.34Å; N126-S149 CarbonylContact O-C 3.56Å; N126-S149 WeakPolarHBondContact O-CA 3.18Å; N126-T150 PolarHBondContact N-O 2.75Å; N126-T150 PolarHBondContact O-N 2.8Å
127L97.1Very high93.6Very high1 Ų160 Ų601%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-129.1125.2178.7173.961.2000109.4N119 I120 I129 H147 V155 I234 F236N119-L127 WeakPolarHBondContact CA-O 3.38Å; I120-L127 HydrophobicContact CB-CB 4.45Å; I120-L127 HydrophobicContact CD1-CD2 4.33Å; I120-L127 PolarHBondContact N-O 2.71Å; I120-L127 PolarHBondContact O-N 3.01Å; L127-I129 HydrophobicContact CD1-CD1 4.49Å; L127-I129 HydrophobicContact CD1-CG1 3.95Å; L127-I129 HydrophobicContact CD2-CD1 3.86Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.11Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; L127-H147 HydrophobicContact CD1-CB 4.1Å; L127-V155 HydrophobicContact CB-CG1 4.4Å; L127-V155 HydrophobicContact CD1-CB 4.12Å; L127-V155 HydrophobicContact CD1-CG1 4.1Å; L127-V155 HydrophobicContact CD1-CG2 4.11Å; L127-V155 HydrophobicContact CD2-CB 4.03Å; L127-V155 HydrophobicContact CD2-CG1 3.83Å; L127-V155 HydrophobicContact CG-CG1 4.34Å; L127-I234 HydrophobicContact CD2-CG2 4.22Å; L127-F236 HydrophobicContact CB-CD2 3.86Å; L127-F236 HydrophobicContact CB-CE2 3.82Å; L127-F236 HydrophobicContact CD2-CD2 3.79Å; L127-F236 HydrophobicContact CG-CD2 4.49Å
128L97.3Very high93.3Very high58 Ų5859.5 Ų59.530%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-118.1123.4172.1-179.868.4000109H117 N119 H147 N148H117-L128 VanDerWaalsContact NE2-CD1 3.35Å; H117-L128 WeakPolarHBondContact NE2-CD1 3.46Å; N119-L128 HydrophobicContact CB-CD1 4.42Å; L128-H147 CarbonylContact O-C 3.52Å; L128-H147 WeakPolarHBondContact O-CA 3.27Å; L128-N148 PolarHBondContact N-O 2.85Å; L128-N148 PolarHBondContact O-N 2.94Å
129I97.3Very high92.9Very high0 Ų059.9 Ų59.90%033%0.331CS..EExtended strand (participates in β ladder)trans-118.8133.2178.7-55.5160.8000108.7F116 H117 S118 L127 F145 H147 V157 I234F116-I129 HydrophobicContact CD1-CG2 4.21Å; F116-I129 HydrophobicContact CE1-CB 4.43Å; F116-I129 HydrophobicContact CE1-CG2 3.93Å; H117-I129 WeakPolarHBondContact CA-O 3.22Å; S118-I129 PolarHBondContact N-O 3.08Å; S118-I129 PolarHBondContact O-N 2.96Å; L127-I129 HydrophobicContact CD1-CD1 4.49Å; L127-I129 HydrophobicContact CD1-CG1 3.95Å; L127-I129 HydrophobicContact CD2-CD1 3.86Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.11Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; I129-F145 HydrophobicContact CG2-CD1 4.3Å; I129-H147 HydrophobicContact CB-CB 4.45Å; I129-H147 HydrophobicContact CG1-CB 3.9Å; I129-V157 HydrophobicContact CD1-CG2 3.56Å; I129-V157 HydrophobicContact CG1-CG2 3.92Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.36Å; I129-I234 HydrophobicContact CD1-CB 4.45Å; I129-I234 HydrophobicContact CD1-CD1 3.65Å; I129-I234 HydrophobicContact CD1-CG1 3.86Å; I129-I234 HydrophobicContact CD1-CG2 3.73Å
130T96.2Very high92.6Very high56 Ų5657 Ų5734%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-123.6137.7168.852.60000108.6F116 F145 R146F116-T130 CarbonylContact O-C 3.51Å; F116-T130 WeakPolarHBondContact O-CA 3.2Å; T130-F145 WeakPolarHBondContact O-CA 3.35Å; T130-R146 PolarHBondContact N-O 2.94Å; T130-R146 PolarHBondContact O-N 2.83Å; T130-R146 WeakPolarHBondContact OG1-CB 3.33Å; T130-R146 PolarHBondContact OG1-O 2.98Å; T130-R146 VanDerWaalsContact OG1-O 3.08Å
131G94.7Very high92.3Very high8 Ų856.1 Ų56.18%0.08231%0.312CS..EExtended strand (participates in β ladder)trans-130.8141.617900000110.6D115 F116 Y144D115-G131 CarbonylContact C-O 3.6Å; D115-G131 WeakPolarHBondContact CA-O 3.4Å; F116-G131 PolarHBondContact N-O 3.22Å; F116-G131 PolarHBondContact O-N 2.84Å; G131-Y144 CarbonylContact C-O 3.58Å; G131-Y144 WeakPolarHBondContact CA-O 3.32Å
132K92.5Very high92.1Very high115 Ų11548.8 Ų48.850%0.528%0.28SS..EExtended strand (participates in β ladder)trans-136.8135.6174.7-178176.6180178.50110.3V134 V143 Y144K132-V134 HydrophobicContact CG-CG2 4.43Å; K132-V143 WeakPolarHBondContact O-CA 3.05Å; K132-Y144 PolarHBondContact N-O 2.94Å; K132-Y144 PolarHBondContact O-N 2.84Å
133I90.3Very high92.1Very high27 Ų2747.6 Ų47.614%0.13827%0.273CS..EExtended strand (participates in β ladder)trans-101.3137.9173.3-169.5156.7000111.3F111 W113 G114 F141 S142 V143F111-I133 HydrophobicContact CB-CD1 4.05Å; F111-I133 HydrophobicContact CB-CG2 4.45Å; F111-I133 HydrophobicContact CD1-CD1 3.66Å; F111-I133 HydrophobicContact CD2-CD1 3.4Å; F111-I133 HydrophobicContact CD2-CG1 4.2Å; F111-I133 HydrophobicContact CE1-CD1 3.97Å; F111-I133 HydrophobicContact CE2-CD1 3.74Å; F111-I133 HydrophobicContact CG-CD1 3.38Å; F111-I133 HydrophobicContact CG-CG1 4.45Å; F111-I133 HydrophobicContact CZ-CD1 4.04Å; W113-I133 WeakPolarHBondContact O-CG2 3.39Å; G114-I133 PolarHBondContact O-N 2.89Å; I133-F141 HydrophobicContact CD1-CD2 3.68Å; I133-F141 HydrophobicContact CD1-CE2 3.91Å; I133-F141 HydrophobicContact CD1-CG 4.29Å; I133-F141 HydrophobicContact CG1-CD2 3.98Å; I133-S142 WeakPolarHBondContact CA-O 3.33Å; I133-V143 HydrophobicContact CD1-CG2 4.22Å; I133-V143 HydrophobicContact CG1-CG2 4.27Å
134V89.8Confident92.2Very high49 Ų4945.9 Ų45.930%0.29725%0.253SS..EExtended strand (participates in β ladder)trans-130.6118.8176.7-179.60000108.3K132 F141 S142 Y144K132-V134 HydrophobicContact CG-CG2 4.43Å; V134-F141 CarbonylContact O-C 3.55Å; V134-F141 VanDerWaalsContact O-CA 3.25Å; V134-F141 WeakPolarHBondContact O-CA 3.4Å; V134-F141 VanDerWaalsContact O-CB 3.32Å; V134-F141 WeakPolarHBondContact O-CB 3.34Å; V134-S142 PolarHBondContact N-O 3.28Å; V134-S142 PolarHBondContact O-N 3.33Å; V134-Y144 HydrophobicContact CB-CE2 4.08Å; V134-Y144 HydrophobicContact CG2-CD2 4.07Å; V134-Y144 HydrophobicContact CG2-CE2 3.7Å
135D88.4Confident92.5Very high75 Ų7541 Ų4140%0.40123%0.232SC..EExtended strand (participates in β ladder)trans-86.3128172.7-17816000109.5M110 G137M110-D135 VanDerWaalsContact CE-CG 3.46Å; M110-D135 WeakPolarHBondContact CE-OD2 3.34Å; D135-G137 PolarHBondContact OD1-N 2.85Å; D135-G137 VanDerWaalsContact OD1-N 3.07Å
136H88.9Confident92.6Very high80 Ų8046.2 Ų46.237%0.3725%0.251SS..  trans-86.4-11.3-179.5-61.6-64.7000112.4N138 T140 S142H136-N138 VanDerWaalsContact CB-OD1 3.31Å; H136-N138 WeakPolarHBondContact CB-OD1 3.37Å; H136-N138 PolarHBondContact O-N 2.78Å; H136-T140 WeakPolarHBondContact CB-O 3.46Å; H136-T140 PolarHBondContact CD2-OG1 2.98Å; H136-T140 VanDerWaalsContact CD2-OG1 3.31Å; H136-T140 PolarHBondContact N-O 2.03Å; H136-T140 VanDerWaalsContact N-O 3.11Å; H136-S142 WeakPolarHBondContact NE2-CB 3.19Å; H136-S142 PolarHBondContact NE2-N 3.24Å; H136-S142 PolarHBondContact NE2-OG 2.78Å
137G86.1Confident92.6Very high65 Ų6544.1 Ų44.167%0.6724%0.239SC*.SBendtrans74-11.1179.700000115D135 G139D135-G137 PolarHBondContact OD1-N 2.85Å; D135-G137 VanDerWaalsContact OD1-N 3.07Å; G137-G139 VanDerWaalsContact C-N 3.29Å
138N87.8Confident92.5Very high117 Ų11745.8 Ų45.863%0.62625%0.248SC*.SBendtrans-87.36.9174.565.30.1000113.3H136 T140H136-N138 VanDerWaalsContact CB-OD1 3.31Å; H136-N138 WeakPolarHBondContact CB-OD1 3.37Å; H136-N138 PolarHBondContact O-N 2.78Å; N138-T140 PolarHBondContact OD1-N 3.31Å; N138-T140 PolarHBondContact OD1-OG1 3.13Å
139G85.8Confident92.5Very high24 Ų2443.1 Ų43.125%0.24724%0.235CC..SBendtrans94.9-0.4-175.400000114.9G137 K225G137-G139 VanDerWaalsContact C-N 3.29Å; G139-K225 VanDerWaalsContact O-CB 3.28Å; G139-K225 WeakPolarHBondContact O-CB 3.28Å; G139-K225 VanDerWaalsContact O-CG 3.23Å; G139-K225 WeakPolarHBondContact O-CG 3.01Å; G139-K225 PolarHBondContact O-N 2.56Å
140T89.8Confident92.4Very high26 Ų2645.4 Ų45.416%0.1625%0.249CC..EExtended strand (participates in β ladder)trans-111.8160.1169.171.20000111.1H136 N138 C223H136-T140 WeakPolarHBondContact CB-O 3.46Å; H136-T140 PolarHBondContact CD2-OG1 2.98Å; H136-T140 VanDerWaalsContact CD2-OG1 3.31Å; H136-T140 PolarHBondContact N-O 2.03Å; H136-T140 VanDerWaalsContact N-O 3.11Å; N138-T140 PolarHBondContact OD1-N 3.31Å; N138-T140 PolarHBondContact OD1-OG1 3.13Å; T140-C223 CarbonylContact C-O 3.55Å; T140-C223 WeakPolarHBondContact CA-O 3.47Å; T140-C223 WeakPolarHBondContact CB-O 3.33Å
141F90.8Very high92.2Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-138.1152.1169.366.5-99000109.4F111 I133 V134 V143 C223 F227 I230F111-F141 HydrophobicContact CE1-CE1 4.03Å; F111-F141 HydrophobicContact CE1-CZ 4.1Å; F111-F141 HydrophobicContact CE2-CB 4.39Å; F111-F141 AromaticContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD1 3.6Å; F111-F141 HydrophobicContact CE2-CD2 4.46Å; F111-F141 AromaticContact CE2-CE1 3.86Å; F111-F141 HydrophobicContact CE2-CE1 3.86Å; F111-F141 AromaticContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CG 3.92Å; F111-F141 HydrophobicContact CE2-CZ 4.45Å; F111-F141 AromaticContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD1 3.45Å; F111-F141 VanDerWaalsContact CZ-CD1 3.45Å; F111-F141 HydrophobicContact CZ-CD2 4.41Å; F111-F141 AromaticContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE1 3.18Å; F111-F141 HydrophobicContact CZ-CE2 4.25Å; F111-F141 HydrophobicContact CZ-CG 4.07Å; F111-F141 AromaticContact CZ-CZ 3.67Å; F111-F141 HydrophobicContact CZ-CZ 3.67Å; I133-F141 HydrophobicContact CD1-CD2 3.68Å; I133-F141 HydrophobicContact CD1-CE2 3.91Å; I133-F141 HydrophobicContact CD1-CG 4.29Å; I133-F141 HydrophobicContact CG1-CD2 3.98Å; V134-F141 CarbonylContact O-C 3.55Å; V134-F141 VanDerWaalsContact O-CA 3.25Å; V134-F141 WeakPolarHBondContact O-CA 3.4Å; V134-F141 VanDerWaalsContact O-CB 3.32Å; V134-F141 WeakPolarHBondContact O-CB 3.34Å; F141-V143 HydrophobicContact CD2-CG2 3.78Å; F141-V143 HydrophobicContact CE2-CG2 3.57Å; F141-C223 HydrophobicContact CD1-CB 4.11Å; F141-C223 HydrophobicContact CD2-CB 3.95Å; F141-C223 HydrophobicContact CE1-CB 3.69Å; F141-C223 HydrophobicContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-SG 3.52Å; F141-C223 HydrophobicContact CG-CB 4.24Å; F141-C223 HydrophobicContact CZ-CB 3.32Å; F141-C223 PolarHBondContact N-O 2.8Å; F141-C223 PolarHBondContact O-N 3.21Å; F141-F227 HydrophobicContact CD1-CD2 4.41Å; F141-F227 AromaticContact CD1-CE2 3.55Å; F141-F227 HydrophobicContact CD1-CE2 3.55Å; F141-F227 AromaticContact CD1-CZ 3.82Å; F141-F227 HydrophobicContact CD1-CZ 3.82Å; F141-F227 AromaticContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CE1 4.19Å; F141-F227 AromaticContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CG 4.37Å; F141-F227 AromaticContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CZ-CD2 4.35Å; F141-F227 HydrophobicContact CZ-CE2 4.02Å; F141-F227 HydrophobicContact CZ-CZ 4.02Å; F141-I230 HydrophobicContact CE2-CD1 3.79Å; F141-I230 HydrophobicContact CZ-CD1 3.85Å; F141-I230 HydrophobicContact CZ-CG2 4.48Å
142S92.4Very high92Very high1 Ų146.2 Ų46.21%0.00725%0.25CS..EExtended strand (participates in β ladder)trans-108.2144.3172.6-68.70000111.5I133 V134 H136 W221I133-S142 WeakPolarHBondContact CA-O 3.33Å; V134-S142 PolarHBondContact N-O 3.28Å; V134-S142 PolarHBondContact O-N 3.33Å; H136-S142 WeakPolarHBondContact NE2-CB 3.19Å; H136-S142 PolarHBondContact NE2-N 3.24Å; H136-S142 PolarHBondContact NE2-OG 2.78Å; S142-W221 CarbonylContact C-O 3.4Å; S142-W221 WeakPolarHBondContact CA-O 3.42Å
143V93.5Very high91.9Very high2 Ų242 Ų421%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-119.7120.3172-172.90000108.3K132 I133 F141 F145 L159 W221 I230K132-V143 WeakPolarHBondContact O-CA 3.05Å; I133-V143 HydrophobicContact CD1-CG2 4.22Å; I133-V143 HydrophobicContact CG1-CG2 4.27Å; F141-V143 HydrophobicContact CD2-CG2 3.78Å; F141-V143 HydrophobicContact CE2-CG2 3.57Å; V143-F145 HydrophobicContact CB-CE2 4.48Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 4.22Å; V143-F145 HydrophobicContact CG1-CE2 3.64Å; V143-F145 HydrophobicContact CG1-CZ 3.6Å; V143-L159 HydrophobicContact CB-CD1 4.09Å; V143-L159 HydrophobicContact CG2-CD1 4Å; V143-W221 HydrophobicContact CB-CB 4.34Å; V143-W221 PolarHBondContact N-O 3.37Å; V143-W221 PolarHBondContact O-N 2.78Å; V143-I230 HydrophobicContact CG2-CD1 4.29Å
144Y95.3Very high92Very high94 Ų9446 Ų4637%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-102.1123.8179-58.3-79.4000109.1G131 K132 V134 V219 S220G131-Y144 CarbonylContact C-O 3.58Å; G131-Y144 WeakPolarHBondContact CA-O 3.32Å; K132-Y144 PolarHBondContact N-O 2.94Å; K132-Y144 PolarHBondContact O-N 2.84Å; V134-Y144 HydrophobicContact CB-CE2 4.08Å; V134-Y144 HydrophobicContact CG2-CD2 4.07Å; V134-Y144 HydrophobicContact CG2-CE2 3.7Å; Y144-V219 CarbonylContact C-O 3.57Å; Y144-V219 WeakPolarHBondContact CA-O 3.42Å; Y144-S220 WeakPolarHBondContact CE1-OG 3.43Å
145F97Very high92.2Very high4 Ų444.8 Ų44.82%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-108.1133.9168.4-67-67.9000110.1F116 I129 T130 V143 V157 L159 H218 V219 W221 I232F116-F145 HydrophobicContact CD1-CE1 4.37Å; I129-F145 HydrophobicContact CG2-CD1 4.3Å; T130-F145 WeakPolarHBondContact O-CA 3.35Å; V143-F145 HydrophobicContact CB-CE2 4.48Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 4.22Å; V143-F145 HydrophobicContact CG1-CE2 3.64Å; V143-F145 HydrophobicContact CG1-CZ 3.6Å; F145-V157 HydrophobicContact CD1-CG1 4.07Å; F145-V157 HydrophobicContact CD2-CG1 4.39Å; F145-V157 HydrophobicContact CE1-CG1 4.3Å; F145-V157 HydrophobicContact CG-CG1 4.11Å; F145-L159 HydrophobicContact CE2-CD2 3.63Å; F145-L159 HydrophobicContact CE2-CG 3.9Å; F145-L159 HydrophobicContact CZ-CD2 3.65Å; F145-L159 HydrophobicContact CZ-CG 4.43Å; F145-H218 CarbonylContact O-C 3.5Å; F145-H218 WeakPolarHBondContact O-CA 3.37Å; F145-V219 PolarHBondContact N-O 3.42Å; F145-V219 PolarHBondContact O-N 2.86Å; F145-W221 AromaticContact CD2-CD1 3.85Å; F145-I232 HydrophobicContact CE1-CD1 4.19Å; F145-I232 HydrophobicContact CE1-CG1 4.43Å; F145-I232 HydrophobicContact CE1-CG2 4.04Å; F145-I232 HydrophobicContact CZ-CD1 4.36Å; F145-I232 HydrophobicContact CZ-CG1 4.14Å; F145-I232 HydrophobicContact CZ-CG2 4Å
146R96.7Very high92.4Very high112 Ų11242.8 Ų42.842%0.42325%0.246SC..EExtended strand (participates in β ladder)trans-121120.1163.5176.8-175.3-170.8-169.11.6107.8T130 S217T130-R146 PolarHBondContact N-O 2.94Å; T130-R146 PolarHBondContact O-N 2.83Å; T130-R146 WeakPolarHBondContact OG1-CB 3.33Å; T130-R146 PolarHBondContact OG1-O 2.98Å; T130-R146 VanDerWaalsContact OG1-O 3.08Å; R146-S217 WeakPolarHBondContact CA-O 3.37Å
147H96.6Very high92.7Very high12 Ų1239.5 Ų39.56%0.05623%0.231CC..EExtended strand (participates in β ladder)trans-123.7136.9173.470-98.7000111.6L127 L128 I129 V157 S217L127-H147 HydrophobicContact CD1-CB 4.1Å; L128-H147 CarbonylContact O-C 3.52Å; L128-H147 WeakPolarHBondContact O-CA 3.27Å; I129-H147 HydrophobicContact CB-CB 4.45Å; I129-H147 HydrophobicContact CG1-CB 3.9Å; H147-V157 HydrophobicContact CB-CG2 4.49Å; H147-S217 WeakPolarHBondContact CE1-CB 3.3Å; H147-S217 PolarHBondContact CE1-OG 2.99Å; H147-S217 VanDerWaalsContact CE1-OG 3.22Å; H147-S217 PolarHBondContact N-O 2.75Å; H147-S217 VanDerWaalsContact NE2-CB 3.25Å; H147-S217 WeakPolarHBondContact NE2-CB 3.29Å; H147-S217 PolarHBondContact O-N 2.83Å
148N96.5Very high93Very high36 Ų3637.2 Ų37.219%0.19321%0.205CC..EExtended strand (participates in β ladder)trans-119.2125.3174.3-61.7-46.9000107.9L128 T215 Q216L128-N148 PolarHBondContact N-O 2.85Å; L128-N148 PolarHBondContact O-N 2.94Å; N148-T215 CarbonylContact C-O 3.56Å; N148-T215 VanDerWaalsContact CA-O 3.3Å; N148-T215 WeakPolarHBondContact CA-O 3.43Å; N148-Q216 WeakPolarHBondContact OD1-CB 3.37Å; N148-Q216 VanDerWaalsContact OD1-CG 3.27Å; N148-Q216 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q216 PolarHBondContact OD1-NE2 3.02Å
149S96Very high93.3Very high3 Ų332 Ų322%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-118.8143.1172.158.70000111.9N126 H214 T215N126-S149 CarbonylContact O-C 3.56Å; N126-S149 WeakPolarHBondContact O-CA 3.18Å; S149-H214 WeakPolarHBondContact O-CA 3.44Å; S149-T215 PolarHBondContact N-O 3.01Å; S149-T215 PolarHBondContact O-N 3.07Å; S149-T215 WeakPolarHBondContact OG-CB 3.36Å
150T95.1Very high93.5Very high47 Ų4731.4 Ų31.429%0.28817%0.169SC..EExtended strand (participates in β ladder)trans-135.2121.7176.7-53.30000109.4N126 Q212 E213 H214N126-T150 PolarHBondContact N-O 2.75Å; N126-T150 PolarHBondContact O-N 2.8Å; T150-Q212 HydrophobicContact CG2-CG 4.44Å; T150-E213 CarbonylContact C-O 3.59Å; T150-E213 WeakPolarHBondContact CA-O 3.05Å; T150-H214 PolarHBondContact OG1-CD2 3.22Å
151G92.8Very high93.4Very high12 Ų1231.9 Ų31.912%0.12417%0.172CC..EExtended strand (participates in β ladder)trans135.6-146.7178.500000112.8K124 E213K124-G151 CarbonylContact O-C 3.47Å; K124-G151 WeakPolarHBondContact O-CA 3.34Å; G151-E213 PolarHBondContact N-O 3.3Å; G151-E213 WeakPolarHBondContact O-CB 3.13Å; G151-E213 PolarHBondContact O-N 3.03Å
152M89.8Confident93.2Very high69 Ų6933.9 Ų33.934%0.3419%0.185SC..SBendtrans-118.7119.4177.9-58.9-168.4-41.300110.6K124 Y211 S238 V239K124-M152 PolarHBondContact O-N 3.47Å; M152-Y211 VanDerWaalsContact CG-O 3.27Å; M152-Y211 WeakPolarHBondContact CG-O 3.47Å; M152-S238 PolarHBondContact O-OG 2.87Å; M152-V239 HydrophobicContact CB-CG1 4.3Å; M152-V239 HydrophobicContact CE-CG1 4.02Å; M152-V239 HydrophobicContact CE-CG2 3.89Å
153G90.8Very high92.7Very high26 Ų2638.5 Ų38.527%0.26822%0.218SC..EExtended strand (participates in β ladder)trans148.9178.9173.500000113Y237G153-Y237 CarbonylContact C-O 3.57Å; G153-Y237 WeakPolarHBondContact CA-O 3.27Å
154N92.1Very high92.4Very high113 Ų11341.7 Ų41.760%0.60423%0.231SC*.EExtended strand (participates in β ladder)trans-108.2140-178.7-64-26.7000110Y237N154-Y237 PolarHBondContact N-O 3Å; N154-Y237 PolarHBondContact O-N 2.83Å
155V93.9Very high91.9Very high23 Ų2341.8 Ų41.814%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-131.3140.3176.4-59.60000108.8L125 L127 A235 F236L125-V155 HydrophobicContact CD2-CG1 3.92Å; L127-V155 HydrophobicContact CB-CG1 4.4Å; L127-V155 HydrophobicContact CD1-CB 4.12Å; L127-V155 HydrophobicContact CD1-CG1 4.1Å; L127-V155 HydrophobicContact CD1-CG2 4.11Å; L127-V155 HydrophobicContact CD2-CB 4.03Å; L127-V155 HydrophobicContact CD2-CG1 3.83Å; L127-V155 HydrophobicContact CG-CG1 4.34Å; V155-A235 WeakPolarHBondContact CA-O 3.2Å; V155-F236 HydrophobicContact CG1-CD2 4.11Å
156S93.6Very high91.4Very high32 Ų3243.3 Ų43.322%0.22425%0.251CS..EExtended strand (participates in β ladder)trans-141.9138.9172.963.90000110.1A235S156-A235 PolarHBondContact N-O 3.41Å; S156-A235 PolarHBondContact O-N 2.92Å; S156-A235 WeakPolarHBondContact OG-CB 3.2Å
157V94.6Very high90.9Very high12 Ų1244.1 Ų44.17%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-128.8124.9176.6-1750000108.3I129 F145 H147 I232 Y233 I234I129-V157 HydrophobicContact CD1-CG2 3.56Å; I129-V157 HydrophobicContact CG1-CG2 3.92Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.36Å; F145-V157 HydrophobicContact CD1-CG1 4.07Å; F145-V157 HydrophobicContact CD2-CG1 4.39Å; F145-V157 HydrophobicContact CE1-CG1 4.3Å; F145-V157 HydrophobicContact CG-CG1 4.11Å; H147-V157 HydrophobicContact CB-CG2 4.49Å; V157-I232 HydrophobicContact CG1-CG2 4Å; V157-Y233 WeakPolarHBondContact CA-O 3.43Å; V157-I234 HydrophobicContact CG1-CG1 4.5Å
158S93.3Very high90.3Very high17 Ų1748.7 Ų48.712%0.11928%0.279CS..EExtended strand (participates in β ladder)trans-142.4160.8-178.960.50000112.2Y233S158-Y233 PolarHBondContact N-O 2.91Å; S158-Y233 PolarHBondContact O-N 3.02Å
159L92.3Very high89.1Confident6 Ų649.9 Ų49.93%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-88.4136.7166.6-64.2-177000109.4V143 F145 F184 C186 W221 I230 C231 I232V143-L159 HydrophobicContact CB-CD1 4.09Å; V143-L159 HydrophobicContact CG2-CD1 4Å; F145-L159 HydrophobicContact CE2-CD2 3.63Å; F145-L159 HydrophobicContact CE2-CG 3.9Å; F145-L159 HydrophobicContact CZ-CD2 3.65Å; F145-L159 HydrophobicContact CZ-CG 4.43Å; L159-F184 HydrophobicContact CB-CE1 4.05Å; L159-F184 HydrophobicContact CB-CZ 3.85Å; L159-F184 VanDerWaalsContact O-CE1 3.28Å; L159-F184 WeakPolarHBondContact O-CE1 3.13Å; L159-C186 HydrophobicContact CD1-CB 4.49Å; L159-W221 HydrophobicContact CB-CD2 4.13Å; L159-W221 HydrophobicContact CB-CE3 4.12Å; L159-W221 HydrophobicContact CB-CZ3 4.37Å; L159-W221 HydrophobicContact CD1-CB 3.62Å; L159-W221 HydrophobicContact CD1-CD2 3.97Å; L159-W221 HydrophobicContact CD1-CE3 4.25Å; L159-W221 HydrophobicContact CD1-CG 3.7Å; L159-W221 HydrophobicContact CG-CB 4.43Å; L159-W221 HydrophobicContact CG-CD2 3.97Å; L159-W221 HydrophobicContact CG-CE3 4.39Å; L159-W221 HydrophobicContact CG-CG 3.98Å; L159-I230 HydrophobicContact CD1-CD1 4.41Å; L159-I230 HydrophobicContact CD2-CD1 4.39Å; L159-C231 WeakPolarHBondContact CA-O 3.32Å; L159-I232 HydrophobicContact CD2-CG1 4.45Å
160V90.1Very high87.3Confident13 Ų1357.6 Ų57.68%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-136.7154.7179.6-59.80000111K164 C231 Y233 K246V160-K164 HydrophobicContact CB-CB 3.83Å; V160-K164 HydrophobicContact CB-CG 3.99Å; V160-K164 HydrophobicContact CG1-CG 4.13Å; V160-K164 HydrophobicContact CG2-CB 3.87Å; V160-K164 HydrophobicContact CG2-CG 4.12Å; V160-C231 HydrophobicContact CG2-CB 3.95Å; V160-C231 PolarHBondContact N-O 2.99Å; V160-C231 PolarHBondContact O-N 3.01Å; V160-Y233 HydrophobicContact CG1-CG 4.24Å; V160-Y233 HydrophobicContact CG2-CD2 4.39Å; V160-K246 HydrophobicContact CG2-CD 4.36Å; V160-K246 HydrophobicContact CG2-CG 4.41Å
161P88.9Confident85.2Confident36 Ų3659.1 Ų59.123%0.23434%0.34CS..  trans-66.9156.6169.628.9-35.4000111.1S163 K164 F184P161-S163 PolarHBondContact O-N 2.81Å; P161-S163 VanDerWaalsContact O-N 3.13Å; P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 2.86Å; P161-F184 HydrophobicContact CB-CD2 4.15Å; P161-F184 HydrophobicContact CB-CE2 4.36Å; P161-F184 HydrophobicContact CG-CD2 4.41Å
162P85.6Confident83.1Confident42 Ų4266.8 Ų66.827%0.27337%0.373SS..THydrogen-bonded Turntrans-58.4-27.9178.8-23.132.3000114.5K164 V229 K246 Y251P162-K164 PolarHBondContact O-N 2.88Å; P162-V229 WeakPolarHBondContact CD-O 3.37Å; P162-V229 HydrophobicContact CG-CB 3.67Å; P162-V229 HydrophobicContact CG-CG1 3.7Å; P162-K246 PolarHBondContact O-NZ 3.48Å; P162-Y251 HydrophobicContact CB-CD2 4.27Å; P162-Y251 HydrophobicContact CB-CE2 4.08Å
163S83.4Confident81Confident98 Ų9869 Ų6969%0.68538%0.383SS*.THydrogen-bonded Turntrans-69-15.4177.251.10000113.9P161 V165P161-S163 PolarHBondContact O-N 2.81Å; P161-S163 VanDerWaalsContact O-N 3.13Å; S163-V165 PolarHBondContact O-N 2.94Å
164K85.8Confident78.6Confident68 Ų6872.1 Ų72.130%0.29640%0.4SS..  trans-62.8124178.2-177.964.5178.9177.80110.1V160 P161 P162 E169 Y233 K246V160-K164 HydrophobicContact CB-CB 3.83Å; V160-K164 HydrophobicContact CB-CG 3.99Å; V160-K164 HydrophobicContact CG1-CG 4.13Å; V160-K164 HydrophobicContact CG2-CB 3.87Å; V160-K164 HydrophobicContact CG2-CG 4.12Å; P161-K164 WeakPolarHBondContact O-CB 3.49Å; P161-K164 PolarHBondContact O-N 2.86Å; P162-K164 PolarHBondContact O-N 2.88Å; K164-E169 WeakPolarHBondContact CE-OE1 3.36Å; K164-E169 IonicContact NZ-OE1 2.73Å; K164-E169 PolarHBondContact NZ-OE1 2.83Å; K164-Y233 HydrophobicContact CG-CD2 4.49Å; K164-Y233 HydrophobicContact CG-CE2 4.5Å; K164-K246 WeakPolarHBondContact O-CD 3.44Å; K164-K246 WeakPolarHBondContact O-CE 3.2Å; K164-K246 PolarHBondContact O-NZ 3.36Å
165V85Confident75.9Confident96 Ų9672.3 Ų72.358%0.58241%0.406SS*.  trans-74148.3177.2-177.80000110.1S163S163-V165 PolarHBondContact O-N 2.94Å
166V87.4Confident73.5Confident37 Ų3778.9 Ų78.922%0.22444%0.439CS..  trans-87.1109.6173.6177.80000107.6V244 K246V166-V244 HydrophobicContact CG1-CB 4.03Å; V166-V244 HydrophobicContact CG1-CG1 3.74Å; V166-K246 HydrophobicContact CG2-CB 3.46Å; V166-K246 VanDerWaalsContact CG2-CB 3.46Å; V166-K246 HydrophobicContact CG2-CD 4.43Å
167E86Confident71.2Confident128 Ų12883.6 Ų83.660%0.59846%0.458SS*.  trans-145.7150.7-179.6-171.9172.8-176.500110.9E169 Y233E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.08Å; E167-Y233 PolarHBondContact O-OH 2.89Å
168F83.2Confident68.9Low108 Ų10888.9 Ų88.947%0.47449%0.49SS..  trans-73.485.1170.8-64.6-70.6000110.4I170 Y237 K242 V244F168-I170 PolarHBondContact O-N 2.94Å; F168-Y237 WeakPolarHBondContact CA-OH 3.5Å; F168-Y237 HydrophobicContact CD1-CE1 4.04Å; F168-K242 HydrophobicContact CD1-CB 4.02Å; F168-K242 HydrophobicContact CE1-CB 3.69Å; F168-V244 HydrophobicContact CD1-CG2 3.54Å; F168-V244 HydrophobicContact CE1-CB 4.45Å; F168-V244 HydrophobicContact CE1-CG2 3.78Å; F168-V244 HydrophobicContact CG-CG2 4.34Å
169E71.8Confident66.7Low62 Ų6297 Ų9729%0.2952%0.524SS..  trans-67.6113.1173.1-65.2-177.2171.900110.5K164 E167 A171 Y237K164-E169 WeakPolarHBondContact CE-OE1 3.36Å; K164-E169 IonicContact NZ-OE1 2.73Å; K164-E169 PolarHBondContact NZ-OE1 2.83Å; E167-E169 VanDerWaalsContact C-N 3.31Å; E167-E169 PolarHBondContact O-N 3.08Å; E169-A171 VanDerWaalsContact C-N 3.34Å; E169-Y237 PolarHBondContact N-OH 2.86Å; E169-Y237 VanDerWaalsContact N-OH 3.08Å; E169-Y237 PolarHBondContact O-OH 2.86Å
170I58.9Low64.8Low164 Ų164102.1 Ų102.184%0.84155%0.551SS**  trans-83.4-10.6178.9-63.3163.3000111.8F168F168-I170 PolarHBondContact O-N 2.94Å
171A50.9Low63.1Low79 Ų79105.1 Ų105.165%0.65357%0.569SS**SBendtrans-108.3134.7-174.600000112.5E169 Q173E169-A171 VanDerWaalsContact C-N 3.34Å; A171-Q173 PolarHBondContact O-N 2.81Å
172Q47Very low61.7Low174 Ų174113.1 Ų113.181%0.81360%0.6SS**  trans-49.7130.4168.1-77.6172.8-25.500110.5S174Q172-S174 PolarHBondContact O-N 3.36Å
173Q47.3Very low60.9Low116 Ų116115.3 Ų115.354%0.54262%0.616SS.*SBendtrans-62.261.4174.9-74.1162.8-31.100112.7A171A171-Q173 PolarHBondContact O-N 2.81Å
174S40.4Very low60.9Low91 Ų91112.5 Ų112.564%0.63659%0.592SS**SBendtrans-119.6-5.9178.963.10000114.8Q172Q172-S174 PolarHBondContact O-N 3.36Å
175T33.8Very low61Low116 Ų116113 Ų11371%0.71260%0.598SS**SBendtrans-140.3-5.1-174.347.30000117.3
176L44.5Very low61.3Low162 Ų162108.9 Ų108.985%0.84857%0.573SS**SBendtrans-104.111.2175.7-86.8170.7000114.1T178L176-T178 VanDerWaalsContact C-N 3.29Å; L176-T178 PolarHBondContact O-N 3.19Å
177E45.8Very low61.5Low130 Ų130115 Ų11561%0.60759%0.592SS**THydrogen-bonded Turntrans-74.3-12.9179.1-77.3-137.7134.700114.1T181E177-T181 HydrophobicContact CB-CG2 4.49Å; E177-T181 WeakPolarHBondContact O-CB 3.37Å; E177-T181 VanDerWaalsContact O-CG2 3.23Å; E177-T181 WeakPolarHBondContact O-CG2 3.3Å; E177-T181 PolarHBondContact O-OG1 2.86Å
178T45.5Very low61.9Low124 Ų124112.7 Ų112.776%0.76158%0.583SS**THydrogen-bonded Turntrans-85.3-17.2-164.8-22.20000115L176L176-T178 VanDerWaalsContact C-N 3.29Å; L176-T178 PolarHBondContact O-N 3.19Å
179K47.3Very low62.4Low188 Ų188113.1 Ų113.182%0.81759%0.587SS**THydrogen-bonded Turntrans-98.9-32.4-172.6-152175.9179.7-176.70114.4
180D51.5Low63.5Low113 Ų113116.1 Ų116.160%0.60460%0.596SS**THydrogen-bonded Turntrans-103.4-17.9-176.6-68.7-25.5000114.4K182 S183D180-K182 PolarHBondContact O-N 3.13Å; D180-S183 PolarHBondContact O-N 3.37Å; D180-S183 VanDerWaalsContact O-N 3.12Å; D180-S183 PolarHBondContact O-OG 3.02Å
181T55.3Low65.2Low75 Ų75113.8 Ų113.846%0.4658%0.582SS.*G310 helixtrans-62-29.6177.837.60000113.2E177 S183 F184E177-T181 HydrophobicContact CB-CG2 4.49Å; E177-T181 WeakPolarHBondContact O-CB 3.37Å; E177-T181 VanDerWaalsContact O-CG2 3.23Å; E177-T181 WeakPolarHBondContact O-CG2 3.3Å; E177-T181 PolarHBondContact O-OG1 2.86Å; T181-S183 PolarHBondContact O-N 3.26Å; T181-F184 PolarHBondContact O-N 2.65Å
182K59.9Low67.4Low205 Ų205115.6 Ų115.689%0.89158%0.575SS**G310 helixtrans-64.3-15.3178.7-143.8176.6-173.6179.20113D180D180-K182 PolarHBondContact O-N 3.13Å
183S67.8Low69.7Low87 Ų87109.9 Ų109.961%0.60855%0.552SS**G310 helixtrans-107.5-10.6-179.872.40000114.3D180 T181D180-S183 PolarHBondContact O-N 3.37Å; D180-S183 VanDerWaalsContact O-N 3.12Å; D180-S183 PolarHBondContact O-OG 3.02Å; T181-S183 PolarHBondContact O-N 3.26Å
184F84Confident72Confident40 Ų40108.8 Ų108.818%0.17555%0.55CS..  trans-104.2109.6-176.2-166.9-127.3000110.8L159 P161 T181 C186 W221 I230L159-F184 HydrophobicContact CB-CE1 4.05Å; L159-F184 HydrophobicContact CB-CZ 3.85Å; L159-F184 VanDerWaalsContact O-CE1 3.28Å; L159-F184 WeakPolarHBondContact O-CE1 3.13Å; P161-F184 HydrophobicContact CB-CD2 4.15Å; P161-F184 HydrophobicContact CB-CE2 4.36Å; P161-F184 HydrophobicContact CG-CD2 4.41Å; T181-F184 PolarHBondContact O-N 2.65Å; F184-C186 HydrophobicContact CD1-CB 3.88Å; F184-C186 HydrophobicContact CE1-CB 3.43Å; F184-C186 VanDerWaalsContact CE1-CB 3.43Å; F184-C186 HydrophobicContact CE2-CB 4.32Å; F184-C186 HydrophobicContact CZ-CB 3.66Å; F184-C186 PolarHBondContact O-N 2.88Å; F184-W221 HydrophobicContact CE1-CZ3 4.33Å; F184-I230 HydrophobicContact CE2-CG2 4.47Å
185N88Confident74.5Confident78 Ų78112.2 Ų112.242%0.41755%0.549SS..  trans-7818.6-174.7-61-35.9000114.2C223 S224 F227N185-C223 VanDerWaalsContact O-CA 3.31Å; N185-C223 WeakPolarHBondContact O-CA 3.36Å; N185-S224 WeakPolarHBondContact CB-O 3.25Å; N185-S224 PolarHBondContact O-N 3.26Å; N185-F227 HydrophobicContact CB-CD1 3.73Å; N185-F227 HydrophobicContact CB-CE1 3.71Å
186C90.8Very high77.4Confident9 Ų9110.6 Ų110.66%0.06154%0.536CS..EExtended strand (participates in β ladder)trans-116.8132.9177.7-68.20000109.2L159 F184 W221 L222 C223L159-C186 HydrophobicContact CD1-CB 4.49Å; F184-C186 HydrophobicContact CD1-CB 3.88Å; F184-C186 HydrophobicContact CE1-CB 3.43Å; F184-C186 VanDerWaalsContact CE1-CB 3.43Å; F184-C186 HydrophobicContact CE2-CB 4.32Å; F184-C186 HydrophobicContact CZ-CB 3.66Å; F184-C186 PolarHBondContact O-N 2.88Å; C186-W221 HydrophobicContact CB-CE3 4.15Å; C186-L222 WeakPolarHBondContact CA-O 3.44Å; C186-C223 HydrophobicContact CB-CB 4.13Å; C186-C223 WeakPolarHBondContact CB-SG 3.49Å; C186-C223 WeakPolarHBondContact SG-CB 3.44Å; C186-C223 CovalentContact SG-SG 2.04Å; C186-C223 PolarHBondContact SG-SG 3.12Å
187R92Very high79.6Confident165 Ų165108.5 Ų108.562%0.62352%0.52SS*.EExtended strand (participates in β ladder)trans-133.6153.3179.464.1-174.9-178.5-155.11.4110.7E189 W221 L222R187-E189 PolarHBondContact O-N 3.27Å; R187-W221 CarbonylContact O-C 3.51Å; R187-W221 WeakPolarHBondContact O-CA 3.18Å; R187-L222 PolarHBondContact N-O 3.38Å; R187-L222 PolarHBondContact O-N 3.3Å
188I93.6Very high81.7Confident80 Ų80108.8 Ų108.841%0.4152%0.519SS..EExtended strand (participates in β ladder)trans-73.1122.7171.9-59.3172000107.7E191 V219 W221I188-E191 HydrophobicContact CG2-CB 4.05Å; I188-V219 HydrophobicContact CG1-CG1 4.48Å; I188-V219 HydrophobicContact CG2-CG1 4.14Å; I188-W221 HydrophobicContact CD1-CH2 3.95Å; I188-W221 HydrophobicContact CD1-CZ2 3.77Å; I188-W221 HydrophobicContact CG1-CD2 3.95Å; I188-W221 HydrophobicContact CG1-CE3 4.02Å; I188-W221 HydrophobicContact CG1-CH2 3.6Å; I188-W221 HydrophobicContact CG1-CZ2 3.5Å; I188-W221 HydrophobicContact CG1-CZ3 3.86Å
189E94.7Very high83.8Confident118 Ų118107 Ų10755%0.55151%0.508SS*.EExtended strand (participates in β ladder)trans-94.2-39.4174.8177.5-177.6-149.600110.7R187 S220 L222R187-E189 PolarHBondContact O-N 3.27Å; E189-S220 PolarHBondContact N-O 2.86Å; E189-S220 PolarHBondContact OE2-OG 3.33Å; E189-L222 HydrophobicContact CB-CB 4.21Å
190Y94.5Very high85.6Confident124 Ų124101 Ų10149%0.48649%0.494SS..EExtended strand (participates in β ladder)trans-145.3135.8-179.2176.6-98.4000109.9K192 V219 S220Y190-K192 HydrophobicContact CE1-CB 3.68Å; Y190-K192 VanDerWaalsContact OH-CB 3.27Å; Y190-K192 WeakPolarHBondContact OH-CB 3.03Å; Y190-K192 WeakPolarHBondContact OH-CD 3.43Å; Y190-V219 CarbonylContact O-C 3.58Å; Y190-V219 WeakPolarHBondContact O-CA 3.48Å; Y190-S220 PolarHBondContact N-O 2.86Å; Y190-S220 PolarHBondContact O-N 2.82Å
191E95.4Very high87.2Confident115 Ų115101.3 Ų101.354%0.53749%0.494SS..EExtended strand (participates in β ladder)trans-137.9131170.3176.9173.5-169.700108.9I188 H218 V219I188-E191 HydrophobicContact CG2-CB 4.05Å; E191-H218 WeakPolarHBondContact CA-O 3.24Å; E191-V219 HydrophobicContact CG-CG2 4.22Å
192K96.3Very high88.6Confident118 Ų11898.8 Ų98.851%0.51348%0.48SS..EExtended strand (participates in β ladder)trans-136.5126169.7176.5175.5176.8-178.40109.1Y190 S217 H218Y190-K192 HydrophobicContact CE1-CB 3.68Å; Y190-K192 VanDerWaalsContact OH-CB 3.27Å; Y190-K192 WeakPolarHBondContact OH-CB 3.03Å; Y190-K192 WeakPolarHBondContact OH-CD 3.43Å; K192-S217 CarbonylContact O-C 3.56Å; K192-S217 WeakPolarHBondContact O-CA 3.32Å; K192-H218 PolarHBondContact N-O 2.89Å; K192-H218 PolarHBondContact O-N 3Å
193T95.4Very high89.6Confident53 Ų5393 Ų9333%0.32548%0.478SS..EExtended strand (participates in β ladder)trans-125.9116.9178.6-65.30000108.9R195 T215 S217T193-R195 HydrophobicContact CG2-CG 4.05Å; T193-T215 HydrophobicContact CG2-CG2 3.73Å; T193-S217 WeakPolarHBondContact OG1-CB 3.42Å; T193-S217 PolarHBondContact OG1-OG 2.04Å
194D95.6Very high90.4Very high93 Ų9399.3 Ų99.350%0.49750%0.495SS..EExtended strand (participates in β ladder)trans-99.4128172.4-170.8-10.4000109T215 Q216D194-T215 CarbonylContact O-C 3.51Å; D194-T215 VanDerWaalsContact O-CA 3.31Å; D194-T215 WeakPolarHBondContact O-CA 3.35Å; D194-Q216 PolarHBondContact N-O 2.94Å; D194-Q216 PolarHBondContact O-N 2.83Å
195R93.9Very high90.5Very high163 Ų16399.5 Ų99.562%0.61550%0.498SS*.EExtended strand (participates in β ladder)trans-126.6120.6-179.1-73.4-179.3-178.81752.3109.4T193 E213 T215T193-R195 HydrophobicContact CG2-CG 4.05Å; R195-E213 WeakPolarHBondContact CD-OE1 3.47Å; R195-T215 HydrophobicContact CG-CG2 3.68Å
196N93.3Very high90.3Very high83 Ų83100.4 Ų100.444%0.44451%0.508SS..EExtended strand (participates in β ladder)trans-116.8117172.9-172.9-2.8000109.6H214N196-H214 PolarHBondContact N-O 2.88Å; N196-H214 PolarHBondContact O-N 2.89Å
197K92.1Very high90Very high118 Ų118104.6 Ų104.651%0.51354%0.538SS..EExtended strand (participates in β ladder)trans-104.6115.9177.4-177174.3176.9175.70109.6Y211K197-Y211 HydrophobicContact CD-CD1 4.44Å
198K89.9Confident89.7Confident136 Ų136102.6 Ų102.659%0.59153%0.534SS*.EExtended strand (participates in β ladder)trans-98.8128.7171.9-67.3-175179.5-178.60109.5Q212K198-Q212 PolarHBondContact N-O 2.81Å; K198-Q212 PolarHBondContact O-N 2.86Å
199T88.2Confident89.3Confident87 Ų87102 Ų10253%0.53453%0.534SS..EExtended strand (participates in β ladder)trans-106.6126.8176.8-56.40000108V209 Y211T199-V209 HydrophobicContact CG2-CG1 3.17Å; T199-Y211 HydrophobicContact CG2-CD1 3.9Å; T199-Y211 HydrophobicContact CG2-CE1 3.57Å; T199-Y211 WeakPolarHBondContact OG1-CD1 3.45Å
200A85.1Confident88.9Confident62 Ų6299.1 Ų99.151%0.51253%0.526SS..EExtended strand (participates in β ladder)trans-141.2160.3178.900000110.2C210A200-C210 PolarHBondContact N-O 3.44Å; A200-C210 WeakPolarHBondContact O-CA 3.31Å; A200-C210 PolarHBondContact O-N 2.91Å
201L85.8Confident88.5Confident118 Ų11898.4 Ų98.462%0.61852%0.523SS*.EExtended strand (participates in β ladder)trans-71.9141.6170.6-61.4177.2000109.7V209L201-V209 HydrophobicContact CD2-CG2 4.32Å
202C85.2Confident88.1Confident22 Ų2298.3 Ų98.315%0.14952%0.523CS..EExtended strand (participates in β ladder)trans-69133.8179.2-60.30000110.5F204 D205 K208 C210C202-F204 VanDerWaalsContact C-N 3.27Å; C202-F204 PolarHBondContact O-N 3.14Å; C202-D205 CarbonylContact O-C 3.54Å; C202-D205 VanDerWaalsContact O-C 3.29Å; C202-D205 PolarHBondContact O-N 2.76Å; C202-K208 HydrophobicContact CB-CB 4.29Å; C202-K208 PolarHBondContact N-O 3.38Å; C202-K208 PolarHBondContact SG-O 3.37Å; C202-C210 VanDerWaalsContact CA-SG 3.56Å; C202-C210 HydrophobicContact CB-CB 4.13Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 VanDerWaalsContact SG-CA 3.58Å; C202-C210 WeakPolarHBondContact SG-CB 3.48Å; C202-C210 PolarHBondContact SG-N 3.45Å; C202-C210 VanDerWaalsContact SG-N 3.37Å; C202-C210 CovalentContact SG-SG 2.03Å; C202-C210 PolarHBondContact SG-SG 2.81Å
203G81.1Confident87.9Confident84 Ų8495.2 Ų95.287%0.86651%0.51SS*.THydrogen-bonded Turntrans-63.1-28.1-177.200000114.9
204F83.3Confident87.8Confident219 Ų21996.6 Ų96.696%0.96151%0.513SS*.THydrogen-bonded Turntrans-87.8-20.1178.9-64.3-76.7000113.9C202C202-F204 VanDerWaalsContact C-N 3.27Å; C202-F204 PolarHBondContact O-N 3.14Å
205D86.1Confident87.8Confident44 Ų4492.7 Ų92.724%0.23549%0.492CS..EExtended strand (participates in β ladder)trans-152.397.9-175.7-176.4-4.5000109.2C202 S207 K208C202-D205 CarbonylContact O-C 3.54Å; C202-D205 VanDerWaalsContact O-C 3.29Å; C202-D205 PolarHBondContact O-N 2.76Å; D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.89Å; D205-S207 VanDerWaalsContact O-N 3.14Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 2.97Å; D205-S207 VanDerWaalsContact OD1-N 3.08Å; D205-S207 PolarHBondContact OD1-OG 2.86Å; D205-S207 PolarHBondContact OD2-OG 2.88Å; D205-K208 HydrophobicContact CB-CB 4.5Å; D205-K208 HydrophobicContact CB-CD 4.42Å; D205-K208 HydrophobicContact CB-CG 4.47Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CD 3.37Å; D205-K208 WeakPolarHBondContact OD2-CE 3.34Å; D205-K208 WeakPolarHBondContact OD2-CG 3.2Å; D205-K208 IonicContact OD2-NZ 2.65Å; D205-K208 PolarHBondContact OD2-NZ 3.01Å
206P83.6Confident88Confident97 Ų9787.5 Ų87.563%0.6348%0.475SS*.EExtended strand (participates in β ladder)trans-68.4-9.1-177.127-33.1000113.4K208P206-K208 VanDerWaalsContact C-N 3.29Å
207S85.4Confident88.1Confident98 Ų9883.6 Ų83.669%0.68545%0.454SS*.EExtended strand (participates in β ladder)trans-78.2-14.6171.875.50000113D205D205-S207 VanDerWaalsContact CG-OG 3.28Å; D205-S207 PolarHBondContact O-N 2.89Å; D205-S207 VanDerWaalsContact O-N 3.14Å; D205-S207 WeakPolarHBondContact OD1-CB 3.42Å; D205-S207 PolarHBondContact OD1-N 2.97Å; D205-S207 VanDerWaalsContact OD1-N 3.08Å; D205-S207 PolarHBondContact OD1-OG 2.86Å; D205-S207 PolarHBondContact OD2-OG 2.88Å
208K84.9Confident88.3Confident122 Ų12281.2 Ų81.253%0.5344%0.444SS..EExtended strand (participates in β ladder)trans-103.6140.6180-69.7-177-178114.80111.8C202 D205 P206C202-K208 HydrophobicContact CB-CB 4.29Å; C202-K208 PolarHBondContact N-O 3.38Å; C202-K208 PolarHBondContact SG-O 3.37Å; D205-K208 HydrophobicContact CB-CB 4.5Å; D205-K208 HydrophobicContact CB-CD 4.42Å; D205-K208 HydrophobicContact CB-CG 4.47Å; D205-K208 PolarHBondContact O-N 2.73Å; D205-K208 WeakPolarHBondContact OD2-CD 3.37Å; D205-K208 WeakPolarHBondContact OD2-CE 3.34Å; D205-K208 WeakPolarHBondContact OD2-CG 3.2Å; D205-K208 IonicContact OD2-NZ 2.65Å; D205-K208 PolarHBondContact OD2-NZ 3.01Å; P206-K208 VanDerWaalsContact C-N 3.29Å
209V86.3Confident88.7Confident69 Ų6975.2 Ų75.242%0.41842%0.419SS..EExtended strand (participates in β ladder)trans-94.7122.4174.5-178.60000109.1T199 L201 Y211T199-V209 HydrophobicContact CG2-CG1 3.17Å; L201-V209 HydrophobicContact CD2-CG2 4.32Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; V209-Y211 HydrophobicContact CG1-CE2 4.46Å
210C85.9Confident89Confident57 Ų5771.3 Ų71.339%0.38540%0.396SS..EExtended strand (participates in β ladder)trans-99.8143.5175.2-85.90000110.3A200 C202A200-C210 PolarHBondContact N-O 3.44Å; A200-C210 WeakPolarHBondContact O-CA 3.31Å; A200-C210 PolarHBondContact O-N 2.91Å; C202-C210 VanDerWaalsContact CA-SG 3.56Å; C202-C210 HydrophobicContact CB-CB 4.13Å; C202-C210 WeakPolarHBondContact CB-SG 3.27Å; C202-C210 VanDerWaalsContact SG-CA 3.58Å; C202-C210 WeakPolarHBondContact SG-CB 3.48Å; C202-C210 PolarHBondContact SG-N 3.45Å; C202-C210 VanDerWaalsContact SG-N 3.37Å; C202-C210 CovalentContact SG-SG 2.03Å; C202-C210 PolarHBondContact SG-SG 2.81Å
211Y85.4Confident89.5Confident108 Ų10869.3 Ų69.342%0.42438%0.375SS..EExtended strand (participates in β ladder)trans-115.4135.3177.1-57-72.5000110M152 K197 T199 V209M152-Y211 VanDerWaalsContact CG-O 3.27Å; M152-Y211 WeakPolarHBondContact CG-O 3.47Å; K197-Y211 HydrophobicContact CD-CD1 4.44Å; T199-Y211 HydrophobicContact CG2-CD1 3.9Å; T199-Y211 HydrophobicContact CG2-CE1 3.57Å; T199-Y211 WeakPolarHBondContact OG1-CD1 3.45Å; V209-Y211 HydrophobicContact CG1-CE1 3.9Å; V209-Y211 HydrophobicContact CG1-CE2 4.46Å
212Q87Confident89.9Confident114 Ų11464.9 Ų64.953%0.53335%0.352SS..EExtended strand (participates in β ladder)trans-123.6116.3169.5-174.3175.9-9.400108.1T150 K198T150-Q212 HydrophobicContact CG2-CG 4.44Å; K198-Q212 PolarHBondContact N-O 2.81Å; K198-Q212 PolarHBondContact O-N 2.86Å
213E92.7Very high90.2Very high53 Ų5363.8 Ų63.825%0.24834%0.344CS..EExtended strand (participates in β ladder)trans-100.7132.9177-166168.7170.700109.6T150 G151 R195T150-E213 CarbonylContact C-O 3.59Å; T150-E213 WeakPolarHBondContact CA-O 3.05Å; G151-E213 PolarHBondContact N-O 3.3Å; G151-E213 WeakPolarHBondContact O-CB 3.13Å; G151-E213 PolarHBondContact O-N 3.03Å; R195-E213 WeakPolarHBondContact CD-OE1 3.47Å
214H94.3Very high90.6Very high82 Ų8262.2 Ų62.238%0.3832%0.32SS..EExtended strand (participates in β ladder)trans-113.8118.7168.4-178.6-83.6000108S149 T150 N196S149-H214 WeakPolarHBondContact O-CA 3.44Å; T150-H214 PolarHBondContact OG1-CD2 3.22Å; N196-H214 PolarHBondContact N-O 2.88Å; N196-H214 PolarHBondContact O-N 2.89Å
215T95.3Very high90.4Very high10 Ų1056.1 Ų56.16%0.06129%0.293CS..EExtended strand (participates in β ladder)trans-117129.6178.3-47.60000109.1N148 S149 T193 D194 R195N148-T215 CarbonylContact C-O 3.56Å; N148-T215 VanDerWaalsContact CA-O 3.3Å; N148-T215 WeakPolarHBondContact CA-O 3.43Å; S149-T215 PolarHBondContact N-O 3.01Å; S149-T215 PolarHBondContact O-N 3.07Å; S149-T215 WeakPolarHBondContact OG-CB 3.36Å; T193-T215 HydrophobicContact CG2-CG2 3.73Å; D194-T215 CarbonylContact O-C 3.51Å; D194-T215 VanDerWaalsContact O-CA 3.31Å; D194-T215 WeakPolarHBondContact O-CA 3.35Å; R195-T215 HydrophobicContact CG-CG2 3.68Å
216Q96.5Very high89.5Confident55 Ų5559.6 Ų59.626%0.25732%0.318SS..EExtended strand (participates in β ladder)trans-120.4121.1169.7170.3164.485.700108.2N148 D194 H218N148-Q216 WeakPolarHBondContact OD1-CB 3.37Å; N148-Q216 VanDerWaalsContact OD1-CG 3.27Å; N148-Q216 WeakPolarHBondContact OD1-CG 3.23Å; N148-Q216 PolarHBondContact OD1-NE2 3.02Å; D194-Q216 PolarHBondContact N-O 2.94Å; D194-Q216 PolarHBondContact O-N 2.83Å; Q216-H218 WeakPolarHBondContact CG-NE2 3.05Å
217S96.6Very high88.7Confident1 Ų157 Ų571%0.00730%0.297CS..EExtended strand (participates in β ladder)trans-128.1140.6-178.5178.90000111.1R146 H147 K192 T193R146-S217 WeakPolarHBondContact CA-O 3.37Å; H147-S217 WeakPolarHBondContact CE1-CB 3.3Å; H147-S217 PolarHBondContact CE1-OG 2.99Å; H147-S217 VanDerWaalsContact CE1-OG 3.22Å; H147-S217 PolarHBondContact N-O 2.75Å; H147-S217 VanDerWaalsContact NE2-CB 3.25Å; H147-S217 WeakPolarHBondContact NE2-CB 3.29Å; H147-S217 PolarHBondContact O-N 2.83Å; K192-S217 CarbonylContact O-C 3.56Å; K192-S217 WeakPolarHBondContact O-CA 3.32Å; T193-S217 WeakPolarHBondContact OG1-CB 3.42Å; T193-S217 PolarHBondContact OG1-OG 2.04Å
218H96.6Very high87.8Confident67 Ų6759.6 Ų59.631%0.3130%0.296SS..EExtended strand (participates in β ladder)trans-125.9120.2178.7-66.9-101.4000108F145 E191 K192 Q216F145-H218 CarbonylContact O-C 3.5Å; F145-H218 WeakPolarHBondContact O-CA 3.37Å; E191-H218 WeakPolarHBondContact CA-O 3.24Å; K192-H218 PolarHBondContact N-O 2.89Å; K192-H218 PolarHBondContact O-N 3Å; Q216-H218 WeakPolarHBondContact CG-NE2 3.05Å
219V96.7Very high87.6Confident10 Ų1055 Ų556%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-127.8127.1-179.1-167.60000109.2Y144 F145 I188 Y190 E191Y144-V219 CarbonylContact C-O 3.57Å; Y144-V219 WeakPolarHBondContact CA-O 3.42Å; F145-V219 PolarHBondContact N-O 3.42Å; F145-V219 PolarHBondContact O-N 2.86Å; I188-V219 HydrophobicContact CG1-CG1 4.48Å; I188-V219 HydrophobicContact CG2-CG1 4.14Å; Y190-V219 CarbonylContact O-C 3.58Å; Y190-V219 WeakPolarHBondContact O-CA 3.48Å; E191-V219 HydrophobicContact CG-CG2 4.22Å
220S95.6Very high87.6Confident6 Ų652 Ų524%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-107.5121171.6-173.90000109.1Y144 E189 Y190Y144-S220 WeakPolarHBondContact CE1-OG 3.43Å; E189-S220 PolarHBondContact N-O 2.86Å; E189-S220 PolarHBondContact OE2-OG 3.33Å; Y190-S220 PolarHBondContact N-O 2.86Å; Y190-S220 PolarHBondContact O-N 2.82Å
221W95.3Very high87.8Confident20 Ų2049.3 Ų49.38%0.07624%0.241CC..EExtended strand (participates in β ladder)trans-101.3136170.8-69.376.7000109.3S142 V143 F145 L159 F184 C186 R187 I188S142-W221 CarbonylContact C-O 3.4Å; S142-W221 WeakPolarHBondContact CA-O 3.42Å; V143-W221 HydrophobicContact CB-CB 4.34Å; V143-W221 PolarHBondContact N-O 3.37Å; V143-W221 PolarHBondContact O-N 2.78Å; F145-W221 AromaticContact CD2-CD1 3.85Å; L159-W221 HydrophobicContact CB-CD2 4.13Å; L159-W221 HydrophobicContact CB-CE3 4.12Å; L159-W221 HydrophobicContact CB-CZ3 4.37Å; L159-W221 HydrophobicContact CD1-CB 3.62Å; L159-W221 HydrophobicContact CD1-CD2 3.97Å; L159-W221 HydrophobicContact CD1-CE3 4.25Å; L159-W221 HydrophobicContact CD1-CG 3.7Å; L159-W221 HydrophobicContact CG-CB 4.43Å; L159-W221 HydrophobicContact CG-CD2 3.97Å; L159-W221 HydrophobicContact CG-CE3 4.39Å; L159-W221 HydrophobicContact CG-CG 3.98Å; F184-W221 HydrophobicContact CE1-CZ3 4.33Å; C186-W221 HydrophobicContact CB-CE3 4.15Å; R187-W221 CarbonylContact O-C 3.51Å; R187-W221 WeakPolarHBondContact O-CA 3.18Å; I188-W221 HydrophobicContact CD1-CH2 3.95Å; I188-W221 HydrophobicContact CD1-CZ2 3.77Å; I188-W221 HydrophobicContact CG1-CD2 3.95Å; I188-W221 HydrophobicContact CG1-CE3 4.02Å; I188-W221 HydrophobicContact CG1-CH2 3.6Å; I188-W221 HydrophobicContact CG1-CZ2 3.5Å; I188-W221 HydrophobicContact CG1-CZ3 3.86Å
222L93.8Very high88.2Confident24 Ų2444.1 Ų44.113%0.12622%0.221CC..EExtended strand (participates in β ladder)trans-109.5125.2169.7-178.968.4000108.9C186 R187 E189C186-L222 WeakPolarHBondContact CA-O 3.44Å; R187-L222 PolarHBondContact N-O 3.38Å; R187-L222 PolarHBondContact O-N 3.3Å; E189-L222 HydrophobicContact CB-CB 4.21Å
223C91.7Very high88.5Confident0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-117.7137.2179.6-63.80000109.9T140 F141 N185 C186 F227T140-C223 CarbonylContact C-O 3.55Å; T140-C223 WeakPolarHBondContact CA-O 3.47Å; T140-C223 WeakPolarHBondContact CB-O 3.33Å; F141-C223 HydrophobicContact CD1-CB 4.11Å; F141-C223 HydrophobicContact CD2-CB 3.95Å; F141-C223 HydrophobicContact CE1-CB 3.69Å; F141-C223 HydrophobicContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-CB 3.47Å; F141-C223 VanDerWaalsContact CE2-SG 3.52Å; F141-C223 HydrophobicContact CG-CB 4.24Å; F141-C223 HydrophobicContact CZ-CB 3.32Å; F141-C223 PolarHBondContact N-O 2.8Å; F141-C223 PolarHBondContact O-N 3.21Å; N185-C223 VanDerWaalsContact O-CA 3.31Å; N185-C223 WeakPolarHBondContact O-CA 3.36Å; C186-C223 HydrophobicContact CB-CB 4.13Å; C186-C223 WeakPolarHBondContact CB-SG 3.49Å; C186-C223 WeakPolarHBondContact SG-CB 3.44Å; C186-C223 CovalentContact SG-SG 2.04Å; C186-C223 PolarHBondContact SG-SG 3.12Å; C223-F227 HydrophobicContact CB-CE1 3.48Å; C223-F227 VanDerWaalsContact CB-CE1 3.48Å; C223-F227 HydrophobicContact CB-CE2 4.48Å; C223-F227 HydrophobicContact CB-CZ 3.43Å; C223-F227 VanDerWaalsContact CB-CZ 3.43Å; C223-F227 WeakPolarHBondContact O-CZ 3.31Å
224S89.4Confident88.6Confident50 Ų5036.4 Ų36.435%0.3519%0.185SC..EExtended strand (participates in β ladder)trans-110.4124.8173.1-58.30000116.1N185 F227N185-S224 WeakPolarHBondContact CB-O 3.25Å; N185-S224 PolarHBondContact O-N 3.26Å; S224-F227 VanDerWaalsContact C-CE2 3.49Å; S224-F227 VanDerWaalsContact O-CD1 3.3Å; S224-F227 WeakPolarHBondContact O-CD1 3.06Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; S224-F227 WeakPolarHBondContact O-CZ 2.89Å
225K79.3Confident88.6Confident91 Ų9132.7 Ų32.740%0.39617%0.168SC..SBendtrans-54.5150.7178-76177.3-168.5164.60110.6M110 G139 F227M110-K225 WeakPolarHBondContact SD-CE 3.09Å; M110-K225 PolarHBondContact SD-NZ 2.83Å; G139-K225 VanDerWaalsContact O-CB 3.28Å; G139-K225 WeakPolarHBondContact O-CB 3.28Å; G139-K225 VanDerWaalsContact O-CG 3.23Å; G139-K225 WeakPolarHBondContact O-CG 3.01Å; G139-K225 PolarHBondContact O-N 2.56Å; K225-F227 HydrophobicContact CB-CD2 4.45Å; K225-F227 HydrophobicContact CB-CE2 3.97Å; K225-F227 HydrophobicContact CG-CD2 4Å; K225-F227 HydrophobicContact CG-CE2 3.48Å; K225-F227 VanDerWaalsContact CG-CE2 3.48Å; K225-F227 HydrophobicContact CG-CZ 4.42Å
226P67.9Low88.6Confident117 Ų11732.2 Ų32.276%0.7617%0.165SC*.SBendcis-99.2121.216.135.1-30.7000112.9
227F66.7Low88.5Confident43 Ų4331.8 Ų31.819%0.18916%0.162CC..  trans-139.3149171.318.7-130.1000110F141 N185 C223 S224 K225F141-F227 HydrophobicContact CD1-CD2 4.41Å; F141-F227 AromaticContact CD1-CE2 3.55Å; F141-F227 HydrophobicContact CD1-CE2 3.55Å; F141-F227 AromaticContact CD1-CZ 3.82Å; F141-F227 HydrophobicContact CD1-CZ 3.82Å; F141-F227 AromaticContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CD2 3.55Å; F141-F227 HydrophobicContact CE1-CE1 4.19Å; F141-F227 AromaticContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CE2 3.01Å; F141-F227 HydrophobicContact CE1-CG 4.37Å; F141-F227 AromaticContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CE1-CZ 3.3Å; F141-F227 HydrophobicContact CZ-CD2 4.35Å; F141-F227 HydrophobicContact CZ-CE2 4.02Å; F141-F227 HydrophobicContact CZ-CZ 4.02Å; N185-F227 HydrophobicContact CB-CD1 3.73Å; N185-F227 HydrophobicContact CB-CE1 3.71Å; C223-F227 HydrophobicContact CB-CE1 3.48Å; C223-F227 VanDerWaalsContact CB-CE1 3.48Å; C223-F227 HydrophobicContact CB-CE2 4.48Å; C223-F227 HydrophobicContact CB-CZ 3.43Å; C223-F227 VanDerWaalsContact CB-CZ 3.43Å; C223-F227 WeakPolarHBondContact O-CZ 3.31Å; S224-F227 VanDerWaalsContact C-CE2 3.49Å; S224-F227 VanDerWaalsContact O-CD1 3.3Å; S224-F227 WeakPolarHBondContact O-CD1 3.06Å; S224-F227 WeakPolarHBondContact O-CE1 3.46Å; S224-F227 WeakPolarHBondContact O-CZ 2.89Å; K225-F227 HydrophobicContact CB-CD2 4.45Å; K225-F227 HydrophobicContact CB-CE2 3.97Å; K225-F227 HydrophobicContact CG-CD2 4Å; K225-F227 HydrophobicContact CG-CE2 3.48Å; K225-F227 VanDerWaalsContact CG-CE2 3.48Å; K225-F227 HydrophobicContact CG-CZ 4.42Å
228K66.6Low88.4Confident152 Ų15232.1 Ų32.166%0.66116%0.164SC*.SBendtrans-111.4-42.8-176.3-62.4-177.8-179.2176.80110.6H254K228-H254 HydrophobicContact CB-CB 3.95Å; K228-H254 PolarHBondContact O-CD2 3.32Å; K228-H254 VanDerWaalsContact O-CG 3.28Å; K228-H254 PolarHBondContact O-NE2 3.44Å; K228-H254 VanDerWaalsContact O-NE2 3.14Å
229V79.3Confident88.1Confident25 Ų2533.4 Ų33.415%0.15218%0.177CC..  trans-137.1129.4-178.5-170.60000110.9P162 C248 Y251 H254P162-V229 WeakPolarHBondContact CD-O 3.37Å; P162-V229 HydrophobicContact CG-CB 3.67Å; P162-V229 HydrophobicContact CG-CG1 3.7Å; V229-C248 HydrophobicContact CG1-CB 4.43Å; V229-Y251 HydrophobicContact CG1-CD2 4.17Å; V229-H254 HydrophobicContact CG2-CB 3.33Å
230I87.6Confident87.9Confident7 Ų735.6 Ų35.64%0.03619%0.188CC..  trans-117.1150.4166.560.2173.2000108.5W113 F141 V143 L159 F184W113-I230 HydrophobicContact CH2-CD1 3.65Å; W113-I230 HydrophobicContact CH2-CG1 3.76Å; W113-I230 HydrophobicContact CZ2-CD1 3.66Å; W113-I230 HydrophobicContact CZ2-CG1 3.48Å; W113-I230 VanDerWaalsContact CZ2-CG1 3.48Å; F141-I230 HydrophobicContact CE2-CD1 3.79Å; F141-I230 HydrophobicContact CZ-CD1 3.85Å; F141-I230 HydrophobicContact CZ-CG2 4.48Å; V143-I230 HydrophobicContact CG2-CD1 4.29Å; L159-I230 HydrophobicContact CD1-CD1 4.41Å; L159-I230 HydrophobicContact CD2-CD1 4.39Å; F184-I230 HydrophobicContact CE2-CG2 4.47Å
231C90Very high87.8Confident0 Ų042.9 Ų42.90%022%0.215CC..EExtended strand (participates in β ladder)trans-122.6148.9176-55.20000110.1L159 V160 K246 V247 C248L159-C231 WeakPolarHBondContact CA-O 3.32Å; V160-C231 HydrophobicContact CG2-CB 3.95Å; V160-C231 PolarHBondContact N-O 2.99Å; V160-C231 PolarHBondContact O-N 3.01Å; C231-K246 HydrophobicContact CB-CD 4.19Å; C231-K246 HydrophobicContact CB-CG 3.79Å; C231-V247 CarbonylContact C-O 3.55Å; C231-V247 WeakPolarHBondContact CA-O 3.39Å; C231-V247 WeakPolarHBondContact CB-O 3.35Å; C231-C248 HydrophobicContact CB-CB 4.07Å; C231-C248 WeakPolarHBondContact CB-SG 3.22Å; C231-C248 WeakPolarHBondContact SG-CB 3.13Å; C231-C248 CovalentContact SG-SG 2.03Å; C231-C248 PolarHBondContact SG-SG 3.45Å
232I93.1Very high87.7Confident0 Ų048.1 Ų48.10%024%0.239CC..EExtended strand (participates in β ladder)trans-93.9124.7172.8-47.9172.6000106.8W113 F116 F145 V157 L159 I234 K246 V247W113-I232 HydrophobicContact CE3-CD1 4.47Å; W113-I232 HydrophobicContact CH2-CD1 4.39Å; W113-I232 HydrophobicContact CH2-CG1 4.23Å; W113-I232 HydrophobicContact CZ3-CD1 3.71Å; W113-I232 HydrophobicContact CZ3-CG1 4.04Å; F116-I232 HydrophobicContact CB-CD1 4.11Å; F116-I232 HydrophobicContact CD1-CD1 3.71Å; F116-I232 HydrophobicContact CD2-CD1 3.42Å; F116-I232 VanDerWaalsContact CD2-CD1 3.42Å; F116-I232 HydrophobicContact CE1-CD1 3.91Å; F116-I232 HydrophobicContact CE1-CG2 4.3Å; F116-I232 HydrophobicContact CE2-CD1 3.64Å; F116-I232 HydrophobicContact CG-CD1 3.45Å; F116-I232 VanDerWaalsContact CG-CD1 3.45Å; F116-I232 HydrophobicContact CZ-CD1 3.88Å; F116-I232 HydrophobicContact CZ-CG2 4.47Å; F145-I232 HydrophobicContact CE1-CD1 4.19Å; F145-I232 HydrophobicContact CE1-CG1 4.43Å; F145-I232 HydrophobicContact CE1-CG2 4.04Å; F145-I232 HydrophobicContact CZ-CD1 4.36Å; F145-I232 HydrophobicContact CZ-CG1 4.14Å; F145-I232 HydrophobicContact CZ-CG2 4Å; V157-I232 HydrophobicContact CG1-CG2 4Å; L159-I232 HydrophobicContact CD2-CG1 4.45Å; I232-I234 HydrophobicContact CG2-CG1 4.18Å; I232-K246 CarbonylContact O-C 3.58Å; I232-K246 WeakPolarHBondContact O-CA 3.31Å; I232-V247 PolarHBondContact N-O 3.02Å; I232-V247 PolarHBondContact O-N 3.13Å
233Y94.1Very high87.7Confident4 Ų450.2 Ų50.22%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-106.4126.8174.6-167.3-96.1000109.4V157 S158 V160 K164 E167 A235 V244 Q245 K246V157-Y233 WeakPolarHBondContact CA-O 3.43Å; S158-Y233 PolarHBondContact N-O 2.91Å; S158-Y233 PolarHBondContact O-N 3.02Å; V160-Y233 HydrophobicContact CG1-CG 4.24Å; V160-Y233 HydrophobicContact CG2-CD2 4.39Å; K164-Y233 HydrophobicContact CG-CD2 4.49Å; K164-Y233 HydrophobicContact CG-CE2 4.5Å; E167-Y233 PolarHBondContact O-OH 2.89Å; Y233-A235 HydrophobicContact CE1-CB 4.23Å; Y233-V244 HydrophobicContact CD2-CG1 4.47Å; Y233-V244 HydrophobicContact CE1-CG1 3.85Å; Y233-V244 HydrophobicContact CE2-CG1 3.59Å; Y233-V244 WeakPolarHBondContact OH-CG1 2.73Å; Y233-Q245 WeakPolarHBondContact CA-O 3.3Å; Y233-K246 HydrophobicContact CD2-CB 4.28Å
234I95.1Very high87.8Confident0 Ų051.1 Ų51.10%026%0.255CS..EExtended strand (participates in β ladder)trans-121.8121.5179.8-57.3167.8000107F116 I120 L127 I129 V157 I232 V244 Q245F116-I234 HydrophobicContact CE1-CD1 4.2Å; F116-I234 HydrophobicContact CZ-CD1 3.9Å; I120-I234 HydrophobicContact CD1-CG2 3.85Å; L127-I234 HydrophobicContact CD2-CG2 4.22Å; I129-I234 HydrophobicContact CD1-CB 4.45Å; I129-I234 HydrophobicContact CD1-CD1 3.65Å; I129-I234 HydrophobicContact CD1-CG1 3.86Å; I129-I234 HydrophobicContact CD1-CG2 3.73Å; V157-I234 HydrophobicContact CG1-CG1 4.5Å; I232-I234 HydrophobicContact CG2-CG1 4.18Å; I234-V244 CarbonylContact O-C 3.48Å; I234-V244 WeakPolarHBondContact O-CA 3.48Å; I234-Q245 HydrophobicContact CB-CB 4.47Å; I234-Q245 PolarHBondContact N-O 3.3Å; I234-Q245 PolarHBondContact O-N 3.41Å
235A94.5Very high88Confident4 Ų452.5 Ų52.53%0.03326%0.256CS..EExtended strand (participates in β ladder)trans-112.3125168.400000109.1V155 S156 Y233 Y237 V244V155-A235 WeakPolarHBondContact CA-O 3.2Å; S156-A235 PolarHBondContact N-O 3.41Å; S156-A235 PolarHBondContact O-N 2.92Å; S156-A235 WeakPolarHBondContact OG-CB 3.2Å; Y233-A235 HydrophobicContact CE1-CB 4.23Å; A235-Y237 HydrophobicContact CB-CD2 4.22Å; A235-Y237 HydrophobicContact CB-CE2 3.67Å; A235-V244 HydrophobicContact CB-CG2 4.44Å
236F95.3Very high88.6Confident1 Ų149.8 Ų49.80%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-122112.7-179.7178.2-84.1000108.2I120 T122 L125 L127 V155 K242 L243I120-F236 HydrophobicContact CB-CD2 4.12Å; I120-F236 HydrophobicContact CB-CE2 4.27Å; I120-F236 HydrophobicContact CD1-CB 4.45Å; I120-F236 HydrophobicContact CG2-CB 4.48Å; I120-F236 HydrophobicContact CG2-CD1 4.06Å; I120-F236 HydrophobicContact CG2-CD2 3.7Å; I120-F236 HydrophobicContact CG2-CE1 4.17Å; I120-F236 HydrophobicContact CG2-CE2 3.79Å; I120-F236 HydrophobicContact CG2-CG 3.83Å; I120-F236 HydrophobicContact CG2-CZ 4.02Å; T122-F236 HydrophobicContact CG2-CE1 3.56Å; T122-F236 HydrophobicContact CG2-CZ 3.72Å; L125-F236 HydrophobicContact CB-CE2 4.11Å; L125-F236 HydrophobicContact CB-CZ 3.69Å; L125-F236 HydrophobicContact CD2-CD2 4.03Å; L125-F236 HydrophobicContact CD2-CE1 4.23Å; L125-F236 HydrophobicContact CD2-CE2 3.5Å; L125-F236 VanDerWaalsContact CD2-CE2 3.5Å; L125-F236 HydrophobicContact CD2-CZ 3.62Å; L125-F236 HydrophobicContact CG-CE2 3.62Å; L125-F236 HydrophobicContact CG-CZ 3.73Å; L127-F236 HydrophobicContact CB-CD2 3.86Å; L127-F236 HydrophobicContact CB-CE2 3.82Å; L127-F236 HydrophobicContact CD2-CD2 3.79Å; L127-F236 HydrophobicContact CG-CD2 4.49Å; V155-F236 HydrophobicContact CG1-CD2 4.11Å; F236-K242 CarbonylContact O-C 3.57Å; F236-K242 WeakPolarHBondContact O-CA 3.04Å; F236-L243 HydrophobicContact CB-CB 4.31Å; F236-L243 HydrophobicContact CD1-CB 4.49Å; F236-L243 PolarHBondContact N-O 3.47Å; F236-L243 PolarHBondContact O-N 3.07Å
237Y94Very high89.7Confident45 Ų4546 Ų4618%0.17622%0.219CC..EExtended strand (participates in β ladder)trans-120.788.5-179.6-67.8-73.4000109.2G153 N154 F168 E169 A235 K242G153-Y237 CarbonylContact C-O 3.57Å; G153-Y237 WeakPolarHBondContact CA-O 3.27Å; N154-Y237 PolarHBondContact N-O 3Å; N154-Y237 PolarHBondContact O-N 2.83Å; F168-Y237 WeakPolarHBondContact CA-OH 3.5Å; F168-Y237 HydrophobicContact CD1-CE1 4.04Å; E169-Y237 PolarHBondContact N-OH 2.86Å; E169-Y237 VanDerWaalsContact N-OH 3.08Å; E169-Y237 PolarHBondContact O-OH 2.86Å; A235-Y237 HydrophobicContact CB-CD2 4.22Å; A235-Y237 HydrophobicContact CB-CE2 3.67Å; Y237-K242 HydrophobicContact CD1-CB 4.05Å; Y237-K242 HydrophobicContact CD1-CD 3.76Å; Y237-K242 HydrophobicContact CD1-CG 3.8Å; Y237-K242 HydrophobicContact CE1-CB 4.35Å; Y237-K242 HydrophobicContact CE1-CD 4.06Å; Y237-K242 HydrophobicContact CE1-CG 4.4Å
238S93.3Very high90.8Very high9 Ų944.8 Ų44.86%0.06322%0.216CC..EExtended strand (participates in β ladder)trans-88.4174.8167.7-162.30000110.9L125 M152 D240 Y241L125-S238 VanDerWaalsContact CB-OG 3.22Å; L125-S238 WeakPolarHBondContact CB-OG 3.23Å; M152-S238 PolarHBondContact O-OG 2.87Å; S238-D240 VanDerWaalsContact C-N 3.34Å; S238-D240 WeakPolarHBondContact CB-OD1 3.38Å; S238-D240 PolarHBondContact OG-OD1 3.11Å; S238-Y241 CarbonylContact C-O 3.29Å; S238-Y241 WeakPolarHBondContact CA-O 3.23Å; S238-Y241 WeakPolarHBondContact CB-O 3.28Å; S238-Y241 PolarHBondContact N-O 2.79Å
239V90.4Very high91.6Very high94 Ų9440 Ų4057%0.5720%0.2SC*.SBendtrans-76.2-23.9175.4-64.30000112.5K124 M152K124-V239 HydrophobicContact CB-CG2 3.5Å; K124-V239 HydrophobicContact CD-CG2 4.37Å; K124-V239 HydrophobicContact CG-CG2 3.58Å; M152-V239 HydrophobicContact CB-CG1 4.3Å; M152-V239 HydrophobicContact CE-CG1 4.02Å; M152-V239 HydrophobicContact CE-CG2 3.89Å
240D92.4Very high91.6Very high56 Ų5639.5 Ų39.530%0.29920%0.197SC..SBendtrans-98.5-40.7-179.354.4-1.4000112.4T122 V123 K124 S238T122-D240 WeakPolarHBondContact CB-OD1 3.15Å; T122-D240 VanDerWaalsContact CB-OD2 3.28Å; T122-D240 WeakPolarHBondContact CB-OD2 3.38Å; T122-D240 PolarHBondContact OG1-OD1 3.31Å; T122-D240 PolarHBondContact OG1-OD2 2.95Å; V123-D240 PolarHBondContact N-OD2 3.07Å; K124-D240 HydrophobicContact CG-CB 4.37Å; K124-D240 PolarHBondContact N-OD2 3.05Å; S238-D240 VanDerWaalsContact C-N 3.34Å; S238-D240 WeakPolarHBondContact CB-OD1 3.38Å; S238-D240 PolarHBondContact OG-OD1 3.11Å
241Y93.5Very high91.1Very high158 Ų15841 Ų4162%0.6220%0.202SC*.  trans-136.3153.1179.7-64-87.9000112.7T122 S238T122-Y241 HydrophobicContact CG2-CD2 3.95Å; T122-Y241 HydrophobicContact CG2-CG 4.39Å; S238-Y241 CarbonylContact C-O 3.29Å; S238-Y241 WeakPolarHBondContact CA-O 3.23Å; S238-Y241 WeakPolarHBondContact CB-O 3.28Å; S238-Y241 PolarHBondContact N-O 2.79Å
242K94.1Very high90.2Very high131 Ų13147 Ų4757%0.5724%0.235SC*.EExtended strand (participates in β ladder)trans-121.1137.4170.7-57.1-178.7176.9-179.80108.7F168 F236 Y237F168-K242 HydrophobicContact CD1-CB 4.02Å; F168-K242 HydrophobicContact CE1-CB 3.69Å; F236-K242 CarbonylContact O-C 3.57Å; F236-K242 WeakPolarHBondContact O-CA 3.04Å; Y237-K242 HydrophobicContact CD1-CB 4.05Å; Y237-K242 HydrophobicContact CD1-CD 3.76Å; Y237-K242 HydrophobicContact CD1-CG 3.8Å; Y237-K242 HydrophobicContact CE1-CB 4.35Å; Y237-K242 HydrophobicContact CE1-CD 4.06Å; Y237-K242 HydrophobicContact CE1-CG 4.4Å
243L93.7Very high89.1Confident68 Ų6852.6 Ų52.636%0.35626%0.256SS..EExtended strand (participates in β ladder)trans-142.5136.2178179.9153.2000109.5I120 F236 Q245I120-L243 HydrophobicContact CD1-CD2 3.9Å; F236-L243 HydrophobicContact CB-CB 4.31Å; F236-L243 HydrophobicContact CD1-CB 4.49Å; F236-L243 PolarHBondContact N-O 3.47Å; F236-L243 PolarHBondContact O-N 3.07Å; L243-Q245 HydrophobicContact CD2-CB 3.93Å
244V94Very high87.7Confident19 Ų1955.6 Ų55.612%0.11527%0.27CS..EExtended strand (participates in β ladder)trans-126.1131.5170.4-178.40000107.9V166 F168 Y233 I234 A235V166-V244 HydrophobicContact CG1-CB 4.03Å; V166-V244 HydrophobicContact CG1-CG1 3.74Å; F168-V244 HydrophobicContact CD1-CG2 3.54Å; F168-V244 HydrophobicContact CE1-CB 4.45Å; F168-V244 HydrophobicContact CE1-CG2 3.78Å; F168-V244 HydrophobicContact CG-CG2 4.34Å; Y233-V244 HydrophobicContact CD2-CG1 4.47Å; Y233-V244 HydrophobicContact CE1-CG1 3.85Å; Y233-V244 HydrophobicContact CE2-CG1 3.59Å; Y233-V244 WeakPolarHBondContact OH-CG1 2.73Å; I234-V244 CarbonylContact O-C 3.48Å; I234-V244 WeakPolarHBondContact O-CA 3.48Å; A235-V244 HydrophobicContact CB-CG2 4.44Å
245Q92.5Very high86.2Confident78 Ų7857 Ų5736%0.36428%0.28SS..EExtended strand (participates in β ladder)trans-134.2128.7-178.2-170.6-179.129.500110.4Y233 I234 L243 V247Y233-Q245 WeakPolarHBondContact CA-O 3.3Å; I234-Q245 HydrophobicContact CB-CB 4.47Å; I234-Q245 PolarHBondContact N-O 3.3Å; I234-Q245 PolarHBondContact O-N 3.41Å; L243-Q245 HydrophobicContact CD2-CB 3.93Å; Q245-V247 HydrophobicContact CG-CG2 3.83Å
246K92.3Very high84.6Confident34 Ų3465.4 Ų65.415%0.14832%0.324CS..EExtended strand (participates in β ladder)trans-108.7123.6167.5-176.1-179.367.4177.20109.2V160 P162 K164 V166 C231 I232 Y233 Y259V160-K246 HydrophobicContact CG2-CD 4.36Å; V160-K246 HydrophobicContact CG2-CG 4.41Å; P162-K246 PolarHBondContact O-NZ 3.48Å; K164-K246 WeakPolarHBondContact O-CD 3.44Å; K164-K246 WeakPolarHBondContact O-CE 3.2Å; K164-K246 PolarHBondContact O-NZ 3.36Å; V166-K246 HydrophobicContact CG2-CB 3.46Å; V166-K246 VanDerWaalsContact CG2-CB 3.46Å; V166-K246 HydrophobicContact CG2-CD 4.43Å; C231-K246 HydrophobicContact CB-CD 4.19Å; C231-K246 HydrophobicContact CB-CG 3.79Å; I232-K246 CarbonylContact O-C 3.58Å; I232-K246 WeakPolarHBondContact O-CA 3.31Å; Y233-K246 HydrophobicContact CD2-CB 4.28Å; K246-Y259 WeakPolarHBondContact CE-OH 3.45Å; K246-Y259 PolarHBondContact O-OH 3.5Å
247V91Very high83.2Confident37 Ų3769.2 Ų69.222%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-117.2123.6179.1-1740000108.7F116 C231 I232 Q245 P249F116-V247 HydrophobicContact CE2-CG1 4.3Å; F116-V247 HydrophobicContact CE2-CG2 4.49Å; C231-V247 CarbonylContact C-O 3.55Å; C231-V247 WeakPolarHBondContact CA-O 3.39Å; C231-V247 WeakPolarHBondContact CB-O 3.35Å; I232-V247 PolarHBondContact N-O 3.02Å; I232-V247 PolarHBondContact O-N 3.13Å; Q245-V247 HydrophobicContact CG-CG2 3.83Å; V247-P249 HydrophobicContact CG1-CG 4.21Å; V247-P249 WeakPolarHBondContact O-CD 3.18Å
248C89.9Confident81.6Confident18 Ų1872 Ų7212%0.12237%0.372CS..  trans-121.485.4-179.6-54.80000110.2V229 C231 D250 Y251 Y259V229-C248 HydrophobicContact CG1-CB 4.43Å; C231-C248 HydrophobicContact CB-CB 4.07Å; C231-C248 WeakPolarHBondContact CB-SG 3.22Å; C231-C248 WeakPolarHBondContact SG-CB 3.13Å; C231-C248 CovalentContact SG-SG 2.03Å; C231-C248 PolarHBondContact SG-SG 3.45Å; C248-D250 PolarHBondContact O-N 3.41Å; C248-Y251 HydrophobicContact CB-CD2 4.34Å; C248-Y251 HydrophobicContact CB-CG 4.43Å; C248-Y251 WeakPolarHBondContact O-CB 3.31Å; C248-Y251 PolarHBondContact O-N 3.47Å; C248-Y259 HydrophobicContact CB-CE2 4.24Å
249P84.1Confident79.7Confident52 Ų5275.7 Ų75.734%0.33839%0.385SS..THydrogen-bonded Turntrans-64.1-33.9-165.4-26.737.9000115.1W113 V247W113-P249 HydrophobicContact CB-CB 3.88Å; W113-P249 HydrophobicContact CD2-CB 3.58Å; W113-P249 HydrophobicContact CD2-CG 3.54Å; W113-P249 HydrophobicContact CE3-CB 4.18Å; W113-P249 HydrophobicContact CE3-CG 3.64Å; W113-P249 HydrophobicContact CG-CB 3.43Å; W113-P249 VanDerWaalsContact CG-CB 3.43Å; W113-P249 HydrophobicContact CG-CG 3.96Å; W113-P249 HydrophobicContact CH2-CG 4.21Å; W113-P249 HydrophobicContact CZ2-CG 4.14Å; W113-P249 HydrophobicContact CZ3-CG 3.99Å; V247-P249 HydrophobicContact CG1-CG 4.21Å; V247-P249 WeakPolarHBondContact O-CD 3.18Å
250D79.7Confident78.2Confident15 Ų1575.4 Ų75.48%0.0839%0.387CS..THydrogen-bonded Turntrans-104.317.6-179.9-70.9-28.5000113.5F111 G112 W113 C248 N252 Y253 H254F111-D250 WeakPolarHBondContact CA-OD2 3.49Å; G112-D250 VanDerWaalsContact CA-OD1 3.3Å; G112-D250 WeakPolarHBondContact CA-OD1 3.25Å; G112-D250 PolarHBondContact N-OD1 3.23Å; G112-D250 PolarHBondContact N-OD2 3.34Å; W113-D250 VanDerWaalsContact NE1-CG 3.27Å; W113-D250 PolarHBondContact NE1-OD2 3.03Å; C248-D250 PolarHBondContact O-N 3.41Å; D250-N252 VanDerWaalsContact C-N 3.35Å; D250-N252 PolarHBondContact O-N 2.75Å; D250-Y253 PolarHBondContact O-N 3.48Å; D250-Y253 VanDerWaalsContact O-N 3.13Å; D250-H254 PolarHBondContact O-N 3.12Å
251Y76.6Confident76.4Confident38 Ų3877.8 Ų77.815%0.14941%0.408CS..Hα-helixtrans-55.8-48.4-176.2-173.6-92.1000112.2P162 V229 C248 Y253 H254 S255 T257 Y259P162-Y251 HydrophobicContact CB-CD2 4.27Å; P162-Y251 HydrophobicContact CB-CE2 4.08Å; V229-Y251 HydrophobicContact CG1-CD2 4.17Å; C248-Y251 HydrophobicContact CB-CD2 4.34Å; C248-Y251 HydrophobicContact CB-CG 4.43Å; C248-Y251 WeakPolarHBondContact O-CB 3.31Å; C248-Y251 PolarHBondContact O-N 3.47Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.27Å; Y251-H254 PolarHBondContact O-N 3.04Å; Y251-S255 VanDerWaalsContact O-CB 3.23Å; Y251-S255 WeakPolarHBondContact O-CB 3.45Å; Y251-S255 PolarHBondContact O-N 3.15Å; Y251-T257 VanDerWaalsContact CE1-O 3.29Å; Y251-T257 WeakPolarHBondContact CE1-O 3.37Å; Y251-T257 PolarHBondContact OH-OG1 3.47Å; Y251-Y259 AromaticContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CG 4.37Å; Y251-Y259 HydrophobicContact CD2-CD2 4.11Å; Y251-Y259 HydrophobicContact CE1-CD2 4.05Å; Y251-Y259 HydrophobicContact CE2-CD2 4.32Å; Y251-Y259 AromaticContact CG-CD2 3.89Å; Y251-Y259 HydrophobicContact CG-CD2 3.89Å
252N71.5Confident74.1Confident127 Ų12776 Ų7668%0.67941%0.414SS*.Hα-helixtrans-70.3-18.8-178.5-65.4-22.4000114D250 H254D250-N252 VanDerWaalsContact C-N 3.35Å; D250-N252 PolarHBondContact O-N 2.75Å; N252-H254 VanDerWaalsContact C-N 3.33Å
253Y68.8Low71.5Confident117 Ų11775.9 Ų75.946%0.45945%0.45SS..Hα-helixtrans-81.2-20.6178.8-176.3-107.1000112V102 D250 Y251V102-Y253 HydrophobicContact CG2-CE2 4.06Å; D250-Y253 PolarHBondContact O-N 3.48Å; D250-Y253 VanDerWaalsContact O-N 3.13Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.27Å
254H65.7Low70.4Confident67 Ų6776.3 Ų76.331%0.3146%0.455SS..Hα-helixtrans-122.4-10.7-172.3-73.6-64.3000114K228 V229 D250 Y251 N252K228-H254 HydrophobicContact CB-CB 3.95Å; K228-H254 PolarHBondContact O-CD2 3.32Å; K228-H254 VanDerWaalsContact O-CG 3.28Å; K228-H254 PolarHBondContact O-NE2 3.44Å; K228-H254 VanDerWaalsContact O-NE2 3.14Å; V229-H254 HydrophobicContact CG2-CB 3.33Å; D250-H254 PolarHBondContact O-N 3.12Å; Y251-H254 PolarHBondContact O-N 3.04Å; N252-H254 VanDerWaalsContact C-N 3.33Å
255S62.5Low69.1Low30 Ų3079.3 Ų79.321%0.2147%0.473CS..  trans-121.9129.1177.1-167.80000110.8Y251 T257Y251-S255 VanDerWaalsContact O-CB 3.23Å; Y251-S255 WeakPolarHBondContact O-CB 3.45Å; Y251-S255 PolarHBondContact O-N 3.15Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact OG-N 3.21Å; S255-T257 PolarHBondContact OG-OG1 3.05Å
256D61.4Low67.8Low179 Ų17979.4 Ų79.496%0.95748%0.479SS*.SBendtrans-81.2-9.8172.4-65.7-47.8000112.1
257T65.6Low66.4Low81 Ų8182.1 Ų82.150%0.49750%0.498SS..SBendtrans-87.7138.3176.460.70000111Y251 S255Y251-T257 VanDerWaalsContact CE1-O 3.29Å; Y251-T257 WeakPolarHBondContact CE1-O 3.37Å; Y251-T257 PolarHBondContact OH-OG1 3.47Å; S255-T257 VanDerWaalsContact C-N 3.28Å; S255-T257 PolarHBondContact OG-N 3.21Å; S255-T257 PolarHBondContact OG-OG1 3.05Å
258P60.1Low64.9Low104 Ų10484.9 Ų84.968%0.67552%0.515SS*.  trans-63.4140.4176.125.6-32.2000110.9S260P258-S260 PolarHBondContact O-N 3.38Å
259Y54.8Low63.2Low86 Ų8689.3 Ų89.334%0.33754%0.541SS..  trans-60.1109.7175.3-174.1-100.4000109.3K246 C248 Y251 S261K246-Y259 WeakPolarHBondContact CE-OH 3.45Å; K246-Y259 PolarHBondContact O-OH 3.5Å; C248-Y259 HydrophobicContact CB-CE2 4.24Å; Y251-Y259 AromaticContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CD2 3.86Å; Y251-Y259 HydrophobicContact CD1-CG 4.37Å; Y251-Y259 HydrophobicContact CD2-CD2 4.11Å; Y251-Y259 HydrophobicContact CE1-CD2 4.05Å; Y251-Y259 HydrophobicContact CE2-CD2 4.32Å; Y251-Y259 AromaticContact CG-CD2 3.89Å; Y251-Y259 HydrophobicContact CG-CD2 3.89Å; Y259-S261 PolarHBondContact O-N 2.91Å
260S57.3Low61.7Low88 Ų8892 Ų9262%0.61556%0.556SS**  trans-80.7107.5173.4-62.90000108P258 T262P258-S260 PolarHBondContact O-N 3.38Å; S260-T262 PolarHBondContact O-N 3.44Å
261S54.8Low60.3Low107 Ų10797.9 Ų97.975%0.74859%0.593SS**  trans-76.263.2169.561.50000109.4Y259 G263Y259-S261 PolarHBondContact O-N 2.91Å; S261-G263 PolarHBondContact O-N 3.48Å
262T46.3Very low58.9Low120 Ų120102.9 Ų102.974%0.73663%0.63SS**  trans-78.9104.5168.82.50000107.2S260S260-T262 PolarHBondContact O-N 3.44Å
263G38.5Very low57.8Low129 Ų129100.7 Ų100.7100%1.3363%0.625SS**  trans-129.2016800000108.5S261S261-G263 PolarHBondContact O-N 3.48Å

Retrieved 263 of 263 residues in 292.8 ms (Link to these results)