A0A093HLT2_STRCA Loading...

Complement C1q tumor necrosis factor-related protein 7

AlphaFold DB , UniProt , Accession A0A093HLT2, Species STRCA (Struthio camelus australis), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.1Very low37.4Very low233 Ų233146.7 Ų146.7100%1.14876%0.763SS**  0114.50-122.1172.67500107.7
2F37.5Very low37.3Very low178 Ų178147.1 Ų147.178%0.78176%0.764SS**  trans56.593.1164.1-74.2-84.4000121.2
3V36.4Very low36.9Very low120 Ų120152.2 Ų152.273%0.72777%0.77SS**  trans-48.7129.5137.7175.30000109.9L5V3-L5 HydrophobicContact CG1-CD1 4.04Å; V3-L5 HydrophobicContact CG1-CG 4.39Å
4L36.8Very low36.8Very low125 Ų125149.5 Ų149.565%0.65477%0.765SS**  trans-137.586.8163.2-106.8141.6000108.5Y6L4-Y6 HydrophobicContact CD2-CD2 4.11Å; L4-Y6 HydrophobicContact CD2-CE2 3.77Å; L4-Y6 PolarHBondContact O-N 3.13Å
5L36.7Very low36.7Very low146 Ų146145.5 Ų145.576%0.76476%0.756SS**  trans-65.9102.4162.8-87.7147.5000108.2V3 I7V3-L5 HydrophobicContact CG1-CD1 4.04Å; V3-L5 HydrophobicContact CG1-CG 4.39Å; L5-I7 PolarHBondContact O-N 3.15Å
6Y35.1Very low36.9Very low195 Ų195148.1 Ų148.177%0.76576%0.763SS**  trans-86.696.8163.8-100.8-87.4000108.5L4 T8L4-Y6 HydrophobicContact CD2-CD2 4.11Å; L4-Y6 HydrophobicContact CD2-CE2 3.77Å; L4-Y6 PolarHBondContact O-N 3.13Å; Y6-T8 PolarHBondContact O-N 3.35Å
7I40.6Very low37Very low140 Ų140148.9 Ų148.972%0.71876%0.763SS**  trans-74.799167.1-63.2172.4000106.5L5 S9L5-I7 PolarHBondContact O-N 3.15Å; I7-S9 PolarHBondContact O-N 2.51Å
8T40.4Very low36.8Very low107 Ų107146.8 Ų146.866%0.65676%0.761SS**  trans-81.896166.2510000108.3Y6 F10Y6-T8 PolarHBondContact O-N 3.35Å; T8-F10 PolarHBondContact O-N 2.94Å
9S37.7Very low36.6Very low110 Ų110147.9 Ų147.977%0.76977%0.767SS**  trans-62.495.3163.6-71.30000109.2I7 A11I7-S9 PolarHBondContact O-N 2.51Å; S9-A11 PolarHBondContact O-N 2.68Å
10F36.8Very low36.5Very low190 Ų190149.4 Ų149.483%0.83377%0.77SS**  trans-76.1100160.7-101.2-88.6000107.6T8 I12T8-F10 PolarHBondContact O-N 2.94Å; F10-I12 PolarHBondContact O-N 3.37Å
11A35.3Very low36.5Very low70 Ų70145.9 Ų145.958%0.57976%0.759SS**  trans-55.6120.2167.900000109.1S9 Y13S9-A11 PolarHBondContact O-N 2.68Å; A11-Y13 VanDerWaalsContact C-N 3.3Å; A11-Y13 HydrophobicContact CB-CD2 4.35Å; A11-Y13 PolarHBondContact O-N 2.86Å
12I36Very low36.4Very low151 Ų151143.4 Ų143.477%0.77474%0.744SS**  trans-66.595.9165.1-59.4172.4000105.8F10 T14F10-I12 PolarHBondContact O-N 3.37Å; I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 HydrophobicContact CG2-CG2 3.87Å; I12-T14 PolarHBondContact O-N 3Å; I12-T14 VanDerWaalsContact O-N 3.12Å
13Y32.9Very low36.5Very low214 Ų214143.8 Ų143.884%0.83975%0.746SS**  trans-75.290.1163.8-101.4-92.9000107.5A11 S15A11-Y13 VanDerWaalsContact C-N 3.3Å; A11-Y13 HydrophobicContact CB-CD2 4.35Å; A11-Y13 PolarHBondContact O-N 2.86Å; Y13-S15 VanDerWaalsContact C-N 3.26Å; Y13-S15 PolarHBondContact O-N 3.48Å; Y13-S15 VanDerWaalsContact O-N 3.09Å
14T34.8Very low36.4Very low114 Ų114147 Ų14770%0.69975%0.75SS**  trans-72.488.4157.2500000107.3I12 E16I12-T14 VanDerWaalsContact C-N 3.32Å; I12-T14 HydrophobicContact CG2-CG2 3.87Å; I12-T14 PolarHBondContact O-N 3Å; I12-T14 VanDerWaalsContact O-N 3.12Å; T14-E16 VanDerWaalsContact C-N 3.28Å; T14-E16 PolarHBondContact O-N 2.83Å; T14-E16 VanDerWaalsContact O-N 3.09Å
15S35.6Very low36.7Very low90 Ų90144.3 Ų144.363%0.62975%0.752SS**  trans-74.792.1160.966.70000107.3Y13 Q17Y13-S15 VanDerWaalsContact C-N 3.26Å; Y13-S15 PolarHBondContact O-N 3.48Å; Y13-S15 VanDerWaalsContact O-N 3.09Å; S15-Q17 PolarHBondContact O-N 3.16Å
16E40.3Very low36.7Very low186 Ų186145 Ų14587%0.86975%0.752SS**  trans-62.482.7157.3-73.3-175154.900107.7T14T14-E16 VanDerWaalsContact C-N 3.28Å; T14-E16 PolarHBondContact O-N 2.83Å; T14-E16 VanDerWaalsContact O-N 3.09Å
17Q37.5Very low36.8Very low162 Ų162141.6 Ų141.676%0.75775%0.747SS**  trans-80.8118.6158.1-71.9-171.8-37.200106.1S15 L19S15-Q17 PolarHBondContact O-N 3.16Å; Q17-L19 PolarHBondContact O-N 3.08Å
18P33.8Very low36.8Very low112 Ų112145.2 Ų145.273%0.72775%0.753SS**  trans-61.1118.3164.126.2-28.9000105.5Q20P18-Q20 PolarHBondContact O-N 2.83Å
19L33Very low36.8Very low168 Ų168149 Ų14988%0.8876%0.757SS**  trans-64.785.3170.9-150.5111.2000105.7Q17 S21Q17-L19 PolarHBondContact O-N 3.08Å; L19-S21 PolarHBondContact O-N 3.23Å
20Q34.2Very low37Very low176 Ų176149 Ų14982%0.82275%0.752SS**  trans-69.291.1176-162.5165.38.700104.6P18 Q22P18-Q20 PolarHBondContact O-N 2.83Å; Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 3.29Å
21S36.6Very low37.5Very low77 Ų77148.2 Ų148.254%0.53874%0.743SS.*  trans-58.9102.3174.559.30000106.8L19 F23L19-S21 PolarHBondContact O-N 3.23Å; S21-F23 PolarHBondContact O-N 3.42Å
22Q36.8Very low37.7Very low181 Ų181153.8 Ų153.885%0.84675%0.751SS**  trans-67.175.3155.2-83.2-173.1-21.400106.7Q20 K24Q20-Q22 VanDerWaalsContact C-N 3.33Å; Q20-Q22 PolarHBondContact O-N 3.29Å; Q22-K24 PolarHBondContact O-N 2.81Å
23F38.4Very low38.4Very low186 Ų186153.3 Ų153.382%0.81675%0.748SS**  trans-68.476.2152-91.1-82.5000106.3S21 G25S21-F23 PolarHBondContact O-N 3.42Å; F23-G25 PolarHBondContact O-N 3.29Å
24K34.9Very low39.2Very low188 Ų188148.3 Ų148.382%0.81774%0.744SS**  trans-67.9110.2158.6-133.9-179.6-175-175.80104.1Q22 E26Q22-K24 PolarHBondContact O-N 2.81Å; K24-E26 PolarHBondContact O-N 3.42Å
25G43.4Very low39.9Very low68 Ų68146 Ų14670%0.70173%0.732SS**  trans-56.5102.8-173.800000111.2F23F23-G25 PolarHBondContact O-N 3.29Å
26E37.4Very low40.8Very low161 Ų161149 Ų14975%0.75274%0.739SS**  trans-88.9110.3146.8-68.6-164.3160.400105.6K24 Y28K24-E26 PolarHBondContact O-N 3.42Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.41Å
27N36.7Very low41.9Very low123 Ų123143.3 Ų143.366%0.65872%0.718SS**  trans-59.397.8170.7-74.7-42.6000107Y29N27-Y29 HydrophobicContact CB-CD2 4.24Å; N27-Y29 HydrophobicContact CB-CE2 3.85Å; N27-Y29 WeakPolarHBondContact O-CD2 3.48Å; N27-Y29 PolarHBondContact O-N 2.66Å
28Y41Very low42.8Very low216 Ų216137.5 Ų137.585%0.84770%0.703SS**  trans-60.994.3157.9-79.2-92.1000106.5E26 T30E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.41Å; Y28-T30 PolarHBondContact O-N 2.91Å; Y28-T30 VanDerWaalsContact O-N 3.12Å
29Y40.1Very low44.2Very low187 Ų187139.8 Ų139.873%0.73371%0.708SS**  trans-67.2107.4159.5-66.2-81.4000105.3N27 R31N27-Y29 HydrophobicContact CB-CD2 4.24Å; N27-Y29 HydrophobicContact CB-CE2 3.85Å; N27-Y29 WeakPolarHBondContact O-CD2 3.48Å; N27-Y29 PolarHBondContact O-N 2.66Å; Y29-R31 PolarHBondContact O-N 2.8Å
30T40.9Very low46.2Very low110 Ų110133.4 Ų133.468%0.67568%0.676SS**  trans-56.392.3154.870000106.2Y28 Y32Y28-T30 PolarHBondContact O-N 2.91Å; Y28-T30 VanDerWaalsContact O-N 3.12Å; T30-Y32 VanDerWaalsContact C-N 3.34Å; T30-Y32 VanDerWaalsContact O-CD2 3.27Å; T30-Y32 WeakPolarHBondContact O-CD2 3.36Å; T30-Y32 PolarHBondContact O-N 3.19Å
31R47.2Very low48Very low173 Ų173126.3 Ų126.365%0.65365%0.651SS**  trans-68.897.8173.4-103.4-179.2175177.41.4106.3Y29 I33 D281Y29-R31 PolarHBondContact O-N 2.8Å; R31-I33 PolarHBondContact O-N 2.92Å; R31-D281 IonicContact CZ-OD1 4Å; R31-D281 IonicContact NH1-OD1 3.64Å; R31-D281 PolarHBondContact NH1-OD1 3.49Å; R31-D281 IonicContact NH1-OD2 2.65Å; R31-D281 PolarHBondContact NH1-OD2 3.47Å
32Y39.9Very low49.7Very low186 Ų186128.6 Ų128.673%0.72966%0.663SS**  trans-58.2118.8175.8-67.8-84.3000109.6T30 C34T30-Y32 VanDerWaalsContact C-N 3.34Å; T30-Y32 VanDerWaalsContact O-CD2 3.27Å; T30-Y32 WeakPolarHBondContact O-CD2 3.36Å; T30-Y32 PolarHBondContact O-N 3.19Å; Y32-C34 PolarHBondContact O-N 3.32Å
33I51.1Low51.7Low141 Ų141122.9 Ų122.972%0.72364%0.641SS**SBendtrans-67.2114159.3-65.1169.5000106.2R31 Y274R31-I33 PolarHBondContact O-N 2.92Å; I33-Y274 HydrophobicContact CD1-CD1 4.46Å
34C49.6Very low53.5Low110 Ų110115 Ų11574%0.74361%0.612SS**  trans39.491.9173.1-1560000115.9Y32Y32-C34 PolarHBondContact O-N 3.32Å
35S50.2Low55.4Low65 Ų65111.5 Ų111.546%0.45561%0.609SS.*  trans-107.9123.3164.259.40000110.7
36I53.5Low57.1Low152 Ų152111 Ų11178%0.77959%0.593SS**PPolyproline II helixtrans-48143166.1-61171.2000108.7G38I36-G38 PolarHBondContact O-N 3.15Å
37P63.5Low58.9Low67 Ų67104.8 Ų104.844%0.43557%0.572SS.*PPolyproline II helixtrans-46.8133.4178.1-28.434.9000111.9L39 P136P37-L39 PolarHBondContact O-N 3.26Å; P37-P136 HydrophobicContact CB-CG 4.44Å; P37-P136 HydrophobicContact CG-CB 4.08Å; P37-P136 HydrophobicContact CG-CG 3.93Å
38G56.1Low60.9Low41 Ų41103.4 Ų103.442%0.42358%0.578SS.*PPolyproline II helixtrans-58.7137.3179.100000110.6I36 G134I36-G38 PolarHBondContact O-N 3.15Å; G38-G134 PolarHBondContact O-N 2.79Å
39L63.7Low62.7Low159 Ų15998.3 Ų98.383%0.83257%0.565SS**PPolyproline II helixtrans-54.8143.1177.9-69.8172.6000110.2P37 G41P37-L39 PolarHBondContact O-N 3.26Å; L39-G41 PolarHBondContact O-N 2.88Å
40P75.4Confident64.2Low35 Ų3591 Ų9123%0.22755%0.546CS..PPolyproline II helixtrans-59.3139.8-179.8-10.718.7000110.5R130 G131 P133P40-R130 HydrophobicContact CB-CG 4.23Å; P40-G131 WeakPolarHBondContact CB-O 3.41Å; P40-P133 HydrophobicContact CB-CG 4.41Å; P40-P133 HydrophobicContact CG-CB 4.34Å; P40-P133 HydrophobicContact CG-CG 4.09Å
41G72.4Confident65.8Low27 Ų2790.7 Ų90.728%0.27855%0.548SS..PPolyproline II helixtrans-55.5154.9-175.700000112.9L39 R130 G131L39-G41 PolarHBondContact O-N 2.88Å; G41-R130 VanDerWaalsContact O-CG 3.29Å; G41-R130 WeakPolarHBondContact O-CG 3.49Å; G41-G131 PolarHBondContact N-O 3.38Å; G41-G131 PolarHBondContact O-N 3.14Å
42P70.9Confident67.3Low124 Ų12486.4 Ų86.481%0.80554%0.543SS*.PPolyproline II helixtrans-60.6149.717927.8-34.6000110.7G44P42-G44 PolarHBondContact O-N 3.01Å
43V80.4Confident68.8Low62 Ų6278.8 Ų78.838%0.37652%0.521SS..PPolyproline II helixtrans-61.7131.7177.7-170.40000109.7K127 G128 R130V43-K127 HydrophobicContact CB-CD 4.43Å; V43-K127 HydrophobicContact CG1-CD 3.52Å; V43-K127 HydrophobicContact CG1-CG 3.75Å; V43-G128 WeakPolarHBondContact CG1-O 3.37Å; V43-R130 HydrophobicContact CG2-CB 4.16Å; V43-R130 HydrophobicContact CG2-CG 4.31Å
44G75.5Confident69.9Low21 Ų2178 Ų7822%0.21653%0.525CS..PPolyproline II helixtrans-58.7152.9-177.700000113.1P42 K127 G128P42-G44 PolarHBondContact O-N 3.01Å; G44-K127 VanDerWaalsContact O-CG 3.23Å; G44-K127 WeakPolarHBondContact O-CG 3.06Å; G44-G128 PolarHBondContact N-O 3Å
45P74.3Confident71.2Confident114 Ų11478.8 Ų78.874%0.7452%0.518SS*.PPolyproline II helixtrans-63.8149.3174.428.5-33.8000110.3
46P80.3Confident72.1Confident57 Ų5777.2 Ų77.237%0.3751%0.512SS..BIsolated β-bridgetrans-56.3143.8172.6-2635.6000112.6K124 K127P46-K124 HydrophobicContact CB-CD 4.26Å; P46-K127 HydrophobicContact CG-CB 4.5Å; P46-K127 HydrophobicContact CG-CG 4.3Å
47G75.2Confident73Confident30 Ų3081.6 Ų81.631%0.30952%0.518SS..PPolyproline II helixtrans-58.2157.2176.800000113.2K124 G125 D126G47-K124 VanDerWaalsContact O-CG 3.29Å; G47-K124 WeakPolarHBondContact O-CG 3.48Å; G47-G125 PolarHBondContact N-O 3.24Å; G47-D126 PolarHBondContact N-O 2.83Å
48A77.3Confident73.6Confident94 Ų9482.1 Ų82.178%0.77752%0.517SS*.PPolyproline II helixtrans-63.3156.9174.600000111.3G125A48-G125 PolarHBondContact O-N 3.29Å
49N79.6Confident74Confident110 Ų11081.7 Ų81.759%0.58851%0.512SS*.BIsolated β-bridgetrans-65.3142.5174.4-71-1.8000110.6K124N49-K124 WeakPolarHBondContact OD1-CA 3.35Å; N49-K124 WeakPolarHBondContact OD1-CB 3.4Å; N49-K124 VanDerWaalsContact OD1-CG 3.27Å; N49-K124 WeakPolarHBondContact OD1-CG 3.39Å
50G72.1Confident74.1Confident32 Ų3282 Ų8233%0.3351%0.514SS..PPolyproline II helixtrans-63.9145.3173.500000112.1G122 P123G50-G122 PolarHBondContact N-O 3.14Å; G50-G122 PolarHBondContact O-N 3.26Å; G50-G122 VanDerWaalsContact O-N 3.14Å; G50-P123 PolarHBondContact N-O 3.33Å
51S73.8Confident73.8Confident104 Ų10484.1 Ų84.173%0.72753%0.528SS*.PPolyproline II helixtrans-61149.2175.354.70000111.4
52P78.9Confident73.5Confident83 Ų8384.6 Ų84.654%0.53953%0.533SS..PPolyproline II helixtrans-53.3143.8173.1-24.734000112.6P121P52-P121 HydrophobicContact CG-CG 4.41Å
53G71.8Confident73.1Confident26 Ų2690.4 Ų90.427%0.26854%0.539SS..PPolyproline II helixtrans-65.1153.1176.800000112.4G119G53-G119 PolarHBondContact N-O 3.22Å; G53-G119 PolarHBondContact O-N 2.91Å
54P72.6Confident72.6Confident124 Ų12492.4 Ų92.481%0.80555%0.547SS*.PPolyproline II helixtrans-62.3156.1178.228.1-34.8000111.4
55H77.2Confident72Confident128 Ų12893.3 Ų93.359%0.59356%0.557SS**PPolyproline II helixtrans-62.3145.4177-74.469.5000111.5V115H55-V115 HydrophobicContact CB-CG1 4.09Å
56G69.1Low71.3Confident32 Ų3299.9 Ų99.933%0.3357%0.567SS.*BIsolated β-bridgetrans-61145.9177.300000112.1V115 G116G56-V115 VanDerWaalsContact O-CG1 3.31Å; G56-V115 WeakPolarHBondContact O-CG1 3.46Å; G56-G116 PolarHBondContact N-O 2.84Å; G56-G116 PolarHBondContact O-N 3.5Å
57R72.6Confident70.5Confident243 Ų243102 Ų10292%0.91758%0.575SS**PPolyproline II helixtrans-63.8147.1177-65.7-174.3178.7-148.8-0.1110.7G59R57-G59 PolarHBondContact O-N 2.73Å
58I75.3Confident69.8Low78 Ų78103.4 Ų103.440%0.459%0.59SS.*PPolyproline II helixtrans-56.5130.8173.9-64.9170.6000109.5K112 G113 V115I58-K112 HydrophobicContact CG2-CD 4.26Å; I58-K112 VanDerWaalsContact CG2-CE 3.45Å; I58-K112 HydrophobicContact CG2-CG 3.91Å; I58-G113 WeakPolarHBondContact CG2-O 3.27Å; I58-V115 HydrophobicContact CD1-CG2 4.01Å; I58-V115 HydrophobicContact CG1-CB 4.37Å; I58-V115 HydrophobicContact CG1-CG2 3.48Å; I58-V115 VanDerWaalsContact CG1-CG2 3.48Å
59G65.4Low68.9Low32 Ų32110.9 Ų110.933%0.3360%0.598SS.*PPolyproline II helixtrans-58.4144.6174.100000112.9R57R57-G59 PolarHBondContact O-N 2.73Å
60L66.4Low67.8Low165 Ų165114.5 Ų114.586%0.86461%0.608SS**PPolyproline II helixtrans-61.1141.3176.3-72.1164.2000110.3
61P69.5Low67Low80 Ų80116.4 Ų116.452%0.51963%0.628SS.*PPolyproline II helixtrans-55.9144.7174.8-23.633.4000112
62G65.5Low66.2Low38 Ų38120.9 Ų120.939%0.39264%0.638SS.*PPolyproline II helixtrans-59.1142.5174.800000111.6
63R63Low65.1Low246 Ų246126.6 Ų126.693%0.92865%0.654SS**PPolyproline II helixtrans-67.9143.6176.1-70.8-175.1175.3-176.3-1.4110.6
64D69Low64.2Low103 Ų103128.8 Ų128.855%0.55168%0.676SS**PPolyproline II helixtrans-58.7145.6175.8-60.9-27000111.6T109D64-T109 WeakPolarHBondContact OD1-CA 3.48Å
65G62.7Low63.4Low41 Ų41132.2 Ų132.242%0.42368%0.682SS.*PPolyproline II helixtrans-63.1143.2176.100000112.1
66R59.9Low62.4Low251 Ų251136.1 Ų136.195%0.94770%0.697SS**PPolyproline II helixtrans-68.4140.6177-71.8-175.6-177.6178.90.9111.4
67D64.6Low61.5Low101 Ų101138.3 Ų138.354%0.5472%0.72SS.*PPolyproline II helixtrans-53138.9172-77.84.3000111.8K103D67-K103 IonicContact OD2-NZ 3.4Å
68G59.1Low60.3Low60 Ų60132.5 Ų132.562%0.61972%0.717SS**PPolyproline II helixtrans-61.3138.417600000112.4
69R58.7Low58.9Low252 Ų252134 Ų13495%0.95174%0.74SS**PPolyproline II helixtrans-65.1143.2178.3-76.6-175.8173.4-176.8-1.7111.6
70K57.4Low58.1Low185 Ų185136 Ų13680%0.80476%0.762SS**PPolyproline II helixtrans-65.1129.4174.3-167.4176.5-177-1800109.5
71G55.4Low56.9Low72 Ų72136.6 Ų136.674%0.74277%0.765SS**PPolyproline II helixtrans-61.7143.5179.100000112.7
72E56.6Low55.7Low199 Ų199144.7 Ų144.793%0.9379%0.785SS**PPolyproline II helixtrans-71.3154179.6-71.1-174.5152.300112.8
73K55.5Low54.6Low202 Ų202146.5 Ų146.588%0.87880%0.803SS**PPolyproline II helixtrans-79.6128.7-175.9-171.5179.9-175.3-178.80109.9
74G53.2Low53.6Low72 Ų72144.7 Ų144.774%0.74280%0.802SS**PPolyproline II helixtrans-60.9142.918000000113.9
75E54.5Low52.5Low197 Ų197146.6 Ų146.692%0.92182%0.818SS**PPolyproline II helixtrans-69.9153.6-179.3-71.3-170.4142.400113.6
76K56.1Low51.5Low209 Ų209147.6 Ų147.691%0.90983%0.828SS**PPolyproline II helixtrans-84.2124.2-175.6-169.5179.2-175.6-176.80110.7
77G50.7Low50.7Low78 Ų78142.4 Ų142.480%0.80483%0.827SS**PPolyproline II helixtrans-64.7145.1177.900000113.7
78S48.8Very low49.6Very low122 Ų122145.9 Ų145.985%0.85385%0.845SS**  trans-105.3148.6175.958.10000111.6
79A44.3Very low49.1Very low108 Ų108145.7 Ų145.789%0.89384%0.842SS**  trans161.2155147.700000108.9
80G48.4Very low48.3Very low76 Ų76140.1 Ų140.178%0.78484%0.839SS**  cis-165.7-172.910.300000111.6
81L42.9Very low47.7Very low177 Ų177136.2 Ų136.293%0.92784%0.841SS**  trans-95.4148.8-163.6-89.4157.2000116.2
82R43.3Very low47.6Very low249 Ų249136.6 Ų136.694%0.9485%0.845SS**  trans77.7133.5137.4-157177.7-164.3-179.24.4122.4
83G43.4Very low47.1Very low76 Ų76136.4 Ų136.478%0.78484%0.844SS**  trans154.9142.2155.800000114.7
84K42Very low46.8Very low209 Ų209136.6 Ų136.691%0.90985%0.845SS**  trans-94.9141.3-178.1-95.5-173.4178.2-1780113.4
85T44.4Very low46.7Very low142 Ų142136.5 Ų136.587%0.87184%0.844SS**  trans73.3120.9149.1-36.30000122
86G41.9Very low46.6Very low63 Ų63135 Ų13565%0.64984%0.843SS**  trans152136.8161.800000111.7
87P43.2Very low46.5Very low142 Ų142133.9 Ų133.992%0.92284%0.841SS**  trans-76.3162-16132.1-35.6000115.5
88L40.7Very low46.6Very low174 Ų174133.3 Ų133.391%0.91184%0.835SS**  trans-59.3127.6-153.9-169.669.7000117.4
89G48.8Very low46.8Very low55 Ų55137 Ų13757%0.56784%0.839SS**  trans-108.1158.1159.900000112
90P43.1Very low47.3Very low135 Ų135136.7 Ų136.788%0.87783%0.83SS**PPolyproline II helixtrans-70.2155.5-168.527.8-33.5000114.5
91A45.3Very low47.6Very low104 Ų104136.5 Ų136.586%0.8683%0.828SS**PPolyproline II helixtrans-63.4136.3-171.900000114.2
92G51.5Low48.2Very low80 Ų80138.1 Ų138.183%0.82583%0.828SS**PPolyproline II helixtrans-74.3143.4171.500000113.1
93E47.7Very low48.8Very low195 Ų195134.7 Ų134.791%0.91182%0.82SS**PPolyproline II helixtrans-64.8154.5-169.4-68.8-171.5131.300116
94K47.8Very low49.4Very low205 Ų205133 Ų13389%0.89180%0.802SS**PPolyproline II helixtrans-72.5126.1176.3-175.4-176.4-173.6-178.10109.9
95G52.1Low50.1Low70 Ų70129.1 Ų129.172%0.72280%0.798SS**PPolyproline II helixtrans-60.9146.2177.200000114.1
96D52.8Low50.8Low167 Ų167125.1 Ų125.189%0.89379%0.785SS**PPolyproline II helixtrans-62.4148.2-176.7-74.4-38.1000114.4
97Q52.5Low51.6Low184 Ų184124 Ų12486%0.8677%0.774SS**PPolyproline II helixtrans-75.9123.1177.5-177.9175.3-18.300111
98G53.8Low52.3Low67 Ų67125.2 Ų125.269%0.69177%0.772SS**PPolyproline II helixtrans-60.2141.3174.700000113.4
99Q53.8Low53.5Low199 Ų199122.3 Ų122.393%0.9376%0.762SS**PPolyproline II helixtrans-63.2144.7178.9-68-174.625.400112.2
100S54Low54Low102 Ų102120.9 Ų120.971%0.71375%0.747SS**PPolyproline II helixtrans-69.2134.2174.7-810000111.8
101G54.9Low54.9Low72 Ų72118.8 Ų118.874%0.74274%0.74SS**PPolyproline II helixtrans-63.3144.117400000113.1
102K55Low56.1Low211 Ų211121 Ų12192%0.91773%0.731SS**PPolyproline II helixtrans-66.7144.8178.4-68.2-175.9178.9-179.70111.6
103K55.8Low56.6Low176 Ų176118.5 Ų118.577%0.76571%0.705SS**PPolyproline II helixtrans-63.8134.2176.1-165.8-179.1-178.9-172.60110D67D67-K103 IonicContact OD2-NZ 3.4Å
104G57.1Low57.7Low40 Ų40117.8 Ų117.841%0.41270%0.702SS.*PPolyproline II helixtrans-67.4157.1174.200000112.4
105P55.7Low59Low129 Ų129112.1 Ų112.184%0.83868%0.684SS**PPolyproline II helixtrans-65.9148178.127.8-32.7000111.4
106G59.9Low59.8Low57 Ų57109.9 Ų109.959%0.58866%0.661SS**PPolyproline II helixtrans-67.9147.717700000112.2
107G57.7Low60.7Low41 Ų41107.4 Ų107.442%0.42365%0.654SS.*PPolyproline II helixtrans-65.4149178.700000112.9
108L58.5Low61.8Low166 Ų166101 Ų10187%0.86963%0.632SS**PPolyproline II helixtrans-72.5144.7177-67.6169.5000111.7
109T64.8Low62.7Low114 Ų11499 Ų9970%0.69961%0.611SS**PPolyproline II helixtrans-67.6134.5178-50.60000111.5D64D64-T109 WeakPolarHBondContact OD1-CA 3.48Å
110G59.8Low63.6Low25 Ų2594.8 Ų94.826%0.25860%0.602SS.*PPolyproline II helixtrans-68140.8179.800000112.9
111A62.7Low64.7Low90 Ų9094.1 Ų94.174%0.74460%0.595SS**PPolyproline II helixtrans-64.1150.7177.500000112.4
112K69.9Low65.6Low151 Ų15191.8 Ų91.866%0.65757%0.571SS**PPolyproline II helixtrans-69.1134.6176.1-172177.9179.8-177.40109.8I58I58-K112 HydrophobicContact CG2-CD 4.26Å; I58-K112 VanDerWaalsContact CG2-CE 3.45Å; I58-K112 HydrophobicContact CG2-CG 3.91Å
113G61.9Low66.5Low28 Ų2887.5 Ų87.529%0.28956%0.564SS.*PPolyproline II helixtrans-67.2153.3177.700000112.7I58I58-G113 WeakPolarHBondContact CG2-O 3.27Å
114E71.4Confident67.5Low180 Ų18085 Ų8584%0.84155%0.553SS**PPolyproline II helixtrans-75161177.4-64.6-171.715900112.6
115V74.1Confident68.4Low86 Ų8684.5 Ų84.552%0.52155%0.549SS..PPolyproline II helixtrans-70.9131.2173.7-177.20000108.4H55 G56 I58H55-V115 HydrophobicContact CB-CG1 4.09Å; G56-V115 VanDerWaalsContact O-CG1 3.31Å; G56-V115 WeakPolarHBondContact O-CG1 3.46Å; I58-V115 HydrophobicContact CD1-CG2 4.01Å; I58-V115 HydrophobicContact CG1-CB 4.37Å; I58-V115 HydrophobicContact CG1-CG2 3.48Å; I58-V115 VanDerWaalsContact CG1-CG2 3.48Å
116G69.9Low69.4Low22 Ų2285.7 Ų85.723%0.22755%0.548CS..BIsolated β-bridgetrans-68.9153.8176.700000112.6G56G56-G116 PolarHBondContact N-O 2.84Å; G56-G116 PolarHBondContact O-N 3.5Å
117P71.1Confident70.3Confident116 Ų11689 Ų8975%0.75355%0.547SS*.PPolyproline II helixtrans-62.9159.9-178.527.5-35.1000112.4
118A76.9Confident71.1Confident49 Ų4988.6 Ų88.641%0.40554%0.542SS..PPolyproline II helixtrans-58.4143.6171.100000111.1
119G71.8Confident72.1Confident24 Ų2487.9 Ų87.925%0.24754%0.539CS..PPolyproline II helixtrans-68.8154.7173.200000111.7G53G53-G119 PolarHBondContact N-O 3.22Å; G53-G119 PolarHBondContact O-N 2.91Å
120P73.2Confident72.7Confident112 Ų11289.7 Ų89.773%0.72753%0.533SS*.PPolyproline II helixtrans-61.6157.4177.227.5-34.6000111.6
121P76.9Confident73.3Confident88 Ų8890 Ų9057%0.57154%0.536SS*.PPolyproline II helixtrans-53.2141.8170.2-22.933000111.5P52P52-P121 HydrophobicContact CG-CG 4.41Å
122G73.3Confident73.9Confident23 Ų2393.6 Ų93.624%0.23754%0.538CS..PPolyproline II helixtrans-64.1156.5174.800000111.6G50G50-G122 PolarHBondContact N-O 3.14Å; G50-G122 PolarHBondContact O-N 3.26Å; G50-G122 VanDerWaalsContact O-N 3.14Å
123P74.1Confident74Confident120 Ų12089.9 Ų89.978%0.77953%0.529SS*.PPolyproline II helixtrans-59.7155.7178.627-34.5000111.3G50 G125G50-P123 PolarHBondContact N-O 3.33Å; P123-G125 PolarHBondContact O-N 2.94Å
124K77.4Confident74.2Confident123 Ų12390.2 Ų90.254%0.53553%0.532SS..BIsolated β-bridgetrans-62.3134.1172.7-168.4176.7-168.1-166.40109.2P46 G47 N49P46-K124 HydrophobicContact CB-CD 4.26Å; G47-K124 VanDerWaalsContact O-CG 3.29Å; G47-K124 WeakPolarHBondContact O-CG 3.48Å; N49-K124 WeakPolarHBondContact OD1-CA 3.35Å; N49-K124 WeakPolarHBondContact OD1-CB 3.4Å; N49-K124 VanDerWaalsContact OD1-CG 3.27Å; N49-K124 WeakPolarHBondContact OD1-CG 3.39Å
125G74.7Confident73.9Confident31 Ų3185.9 Ų85.932%0.3253%0.528SS..PPolyproline II helixtrans-61.1150.2175.800000112G47 A48 P123G47-G125 PolarHBondContact N-O 3.24Å; A48-G125 PolarHBondContact O-N 3.29Å; P123-G125 PolarHBondContact O-N 2.94Å
126D77.9Confident73Confident154 Ų15486 Ų8682%0.82453%0.53SS*.PPolyproline II helixtrans-60.7160.3-179.8-67.7-41.7000112.1G47 G128G47-D126 PolarHBondContact N-O 2.83Å; D126-G128 PolarHBondContact O-N 3.23Å
127K77.9Confident72.2Confident127 Ų12787.2 Ų87.255%0.55254%0.543SS*.BIsolated β-bridgetrans-67128.8174.4-162.9-177.9-175.1-165.70108.6V43 G44 P46V43-K127 HydrophobicContact CB-CD 4.43Å; V43-K127 HydrophobicContact CG1-CD 3.52Å; V43-K127 HydrophobicContact CG1-CG 3.75Å; G44-K127 VanDerWaalsContact O-CG 3.23Å; G44-K127 WeakPolarHBondContact O-CG 3.06Å; P46-K127 HydrophobicContact CG-CB 4.5Å; P46-K127 HydrophobicContact CG-CG 4.3Å
128G74.4Confident71.1Confident32 Ų3292.1 Ų92.133%0.3355%0.553SS.*PPolyproline II helixtrans-60.7150.1175.800000111.2V43 G44 D126V43-G128 WeakPolarHBondContact CG1-O 3.37Å; G44-G128 PolarHBondContact N-O 3Å; D126-G128 PolarHBondContact O-N 3.23Å
129D79.5Confident69.6Low151 Ų15193.4 Ų93.481%0.80756%0.558SS**PPolyproline II helixtrans-62.7162.8-176.9-66.9-45.1000112.8G131D129-G131 PolarHBondContact O-N 3.24Å
130R77.7Confident68.8Low151 Ų15199 Ų9957%0.5758%0.575SS**PPolyproline II helixtrans-64.5132.3170.1-168.7177.9-175.4-175.9-5.6108.2P40 G41 V43P40-R130 HydrophobicContact CB-CG 4.23Å; G41-R130 VanDerWaalsContact O-CG 3.29Å; G41-R130 WeakPolarHBondContact O-CG 3.49Å; V43-R130 HydrophobicContact CG2-CB 4.16Å; V43-R130 HydrophobicContact CG2-CG 4.31Å
131G73.1Confident67.6Low32 Ų3298.7 Ų98.733%0.3358%0.575SS.*PPolyproline II helixtrans-59.2143.6174.900000110.7P40 G41 D129P40-G131 WeakPolarHBondContact CB-O 3.41Å; G41-G131 PolarHBondContact N-O 3.38Å; G41-G131 PolarHBondContact O-N 3.14Å; D129-G131 PolarHBondContact O-N 3.24Å
132E74.1Confident66.3Low165 Ų16597.3 Ų97.377%0.77158%0.577SS**PPolyproline II helixtrans-55.4149.9176.9-70.4-63.2149.800111.1G134E132-G134 PolarHBondContact O-N 2.85Å
133P72.8Confident65.4Low74 Ų74104.9 Ų104.948%0.48160%0.603SS.*PPolyproline II helixtrans-50.4139.4168-19.328.9000110.4P40 A135P40-P133 HydrophobicContact CB-CG 4.41Å; P40-P133 HydrophobicContact CG-CB 4.34Å; P40-P133 HydrophobicContact CG-CG 4.09Å; P133-A135 PolarHBondContact O-N 2.88Å
134G66.5Low64.7Low34 Ų34102.4 Ų102.435%0.35158%0.583SS.*PPolyproline II helixtrans-59.2137.9172.300000109.4G38 E132G38-G134 PolarHBondContact O-N 2.79Å; E132-G134 PolarHBondContact O-N 2.85Å
135A64Low64.3Low90 Ų90102.1 Ų102.174%0.74459%0.591SS**PPolyproline II helixtrans-53.6134.5175.100000109P133 G137P133-A135 PolarHBondContact O-N 2.88Å; A135-G137 PolarHBondContact O-N 3.04Å
136P56Low64.6Low87 Ų87102.8 Ų102.857%0.56559%0.587SS**PPolyproline II helixtrans-51.8137.9169.1-19.228.4000108.8P37 F138P37-P136 HydrophobicContact CB-CG 4.44Å; P37-P136 HydrophobicContact CG-CB 4.08Å; P37-P136 HydrophobicContact CG-CG 3.93Å; P136-F138 PolarHBondContact O-N 3.02Å
137G53.3Low65.1Low49 Ų49101 Ų10151%0.50557%0.572SS.*PPolyproline II helixtrans-54.3139.8166.300000108.9A135 C139A135-G137 PolarHBondContact O-N 3.04Å; G137-C139 PolarHBondContact O-N 2.85Å
138F47.3Very low65.9Low219 Ų21995.1 Ų95.196%0.96155%0.547SS*.  trans-63.2100.5174.5-101.4-91.5000108.6P136P136-F138 PolarHBondContact O-N 3.02Å
139C46.8Very low67Low75 Ų7594.6 Ų94.651%0.50754%0.54SS..  trans-82.3115.8165.1-162.40000107.4G137 C141G137-C139 PolarHBondContact O-N 2.85Å; C139-C141 HydrophobicContact CB-CB 3.83Å; C139-C141 WeakPolarHBondContact CB-SG 3.33Å; C139-C141 PolarHBondContact O-N 3.42Å; C139-C141 WeakPolarHBondContact SG-CA 3.03Å; C139-C141 WeakPolarHBondContact SG-CB 3.47Å; C139-C141 PolarHBondContact SG-N 2.94Å; C139-C141 CovalentContact SG-SG 2.05Å; C139-C141 PolarHBondContact SG-SG 3.28Å
140K53.4Low67.8Low141 Ų14187.5 Ų87.561%0.61350%0.501SS*.  trans-71.157.6152.3-70.1-172.8174.7-174.30107.8G142 E288K140-G142 PolarHBondContact O-N 2.87Å; K140-E288 IonicContact NZ-OE1 3.31Å; K140-E288 PolarHBondContact NZ-OE1 3.36Å
141C47.8Very low68.8Low106 Ų10680.9 Ų80.972%0.71648%0.478SS*.  trans-74.686.1175.8-840000107C139C139-C141 HydrophobicContact CB-CB 3.83Å; C139-C141 WeakPolarHBondContact CB-SG 3.33Å; C139-C141 PolarHBondContact O-N 3.42Å; C139-C141 WeakPolarHBondContact SG-CA 3.03Å; C139-C141 WeakPolarHBondContact SG-CB 3.47Å; C139-C141 PolarHBondContact SG-N 2.94Å; C139-C141 CovalentContact SG-SG 2.05Å; C139-C141 PolarHBondContact SG-SG 3.28Å
142G51.1Low70Confident60 Ų6079.3 Ų79.362%0.61946%0.462SS*.SBendtrans129.483.9-177.400000110.6K140K140-G142 PolarHBondContact O-N 2.87Å
143K54.4Low71.1Confident181 Ų18171.5 Ų71.579%0.78743%0.426SS*.SBend-172.6-16.6126.5-102.8174.9178.2-164.80116.3
144I58.1Low72.3Confident68 Ų6868 Ų6835%0.34940%0.403SS..  trans-133.494.8177.1-60.3177.4000109.8L146 L283I144-L146 HydrophobicContact CG2-CD1 4.18Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 3.61Å; I144-L283 HydrophobicContact CD1-CB 3.8Å; I144-L283 HydrophobicContact CG2-CD1 4.33Å
145V69.1Low73.6Confident117 Ų11769.4 Ų69.471%0.70941%0.405SS*.  trans-95.289.5167.6-1730000106.8K147V145-K147 HydrophobicContact CG1-CD 4.33Å; V145-K147 HydrophobicContact CG1-CG 3.86Å; V145-K147 PolarHBondContact O-N 3.37Å
146L81.6Confident75Confident45 Ų4568.8 Ų68.824%0.23639%0.392CS..  trans-68.2117.2172.3-73.3172.3000108.9I144 I189 V275 Y279 L280 L283I144-L146 HydrophobicContact CG2-CD1 4.18Å; I144-L146 HydrophobicContact CG2-CD2 3.94Å; I144-L146 HydrophobicContact CG2-CG 3.61Å; L146-I189 HydrophobicContact CB-CD1 4Å; L146-I189 HydrophobicContact CB-CG2 4.36Å; L146-I189 HydrophobicContact CD1-CG2 3.95Å; L146-I189 HydrophobicContact CD2-CD1 3.97Å; L146-I189 HydrophobicContact CD2-CG1 4.43Å; L146-I189 HydrophobicContact CG-CD1 4.43Å; L146-V275 HydrophobicContact CB-CG2 4.01Å; L146-V275 HydrophobicContact CD1-CG1 3.73Å; L146-V275 HydrophobicContact CD1-CG2 4.09Å; L146-Y279 HydrophobicContact CD1-CD1 4Å; L146-Y279 HydrophobicContact CD1-CE1 3.69Å; L146-L280 HydrophobicContact CD1-CD2 3.7Å; L146-L283 HydrophobicContact CD1-CD1 3.88Å; L146-L283 HydrophobicContact CD2-CD1 4.39Å
147K87.3Confident76.9Confident117 Ų11766.2 Ų66.251%0.50938%0.376SS..  trans-120.9131.3176.8-59.9179.6-174.4172.80108.7V145 E174V145-K147 HydrophobicContact CG1-CD 4.33Å; V145-K147 HydrophobicContact CG1-CG 3.86Å; V145-K147 PolarHBondContact O-N 3.37Å; K147-E174 HydrophobicContact CB-CG 3.66Å; K147-E174 HydrophobicContact CD-CG 4.13Å; K147-E174 WeakPolarHBondContact CD-OE1 3.18Å; K147-E174 IonicContact NZ-OE1 3.87Å
148S95.3Very high78.9Confident3 Ų368 Ų682%0.02137%0.368CS..  trans-141.5109.6169.5172.60000106.9H177 Y193 F271 L272S148-H177 WeakPolarHBondContact CB-ND1 3.37Å; S148-H177 PolarHBondContact OG-ND1 2.99Å; S148-Y193 WeakPolarHBondContact OG-CE1 3.19Å; S148-F271 CarbonylContact O-C 3.58Å; S148-F271 WeakPolarHBondContact O-CA 3.41Å; S148-L272 PolarHBondContact O-N 2.05Å
149A97Very high81.2Confident22 Ų2258.3 Ų58.318%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-156.3140.1178.800000110.5F172 N173 E174 G270 F271A149-F172 VanDerWaalsContact C-CE2 3.48Å; A149-F172 HydrophobicContact CB-CE2 3.67Å; A149-F172 HydrophobicContact CB-CZ 4.39Å; A149-F172 WeakPolarHBondContact O-CE2 3.32Å; A149-N173 CarbonylContact O-C 3.52Å; A149-E174 PolarHBondContact N-O 2.82Å; A149-E174 VanDerWaalsContact N-O 3.13Å; A149-E174 PolarHBondContact O-N 2.56Å; A149-G270 CarbonylContact C-O 3.56Å; A149-G270 VanDerWaalsContact CA-O 3.29Å; A149-G270 WeakPolarHBondContact CA-O 3.5Å; A149-F271 HydrophobicContact CB-CB 3.6Å
150F98.1Very high83.4Confident1 Ų161.6 Ų61.60%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-140.2153.7174.371.3-80.6000110.5V152 F172 Y178 F185 F195 F268 S269 G270F150-V152 HydrophobicContact CD2-CG1 4.24Å; F150-V152 HydrophobicContact CD2-CG2 4.03Å; F150-V152 HydrophobicContact CE2-CG2 4.17Å; F150-F172 WeakPolarHBondContact CA-O 3.23Å; F150-Y178 AromaticContact CD2-CD2 3.74Å; F150-Y178 HydrophobicContact CD2-CD2 3.74Å; F150-Y178 AromaticContact CD2-CG 3.81Å; F150-Y178 HydrophobicContact CD2-CG 3.81Å; F150-Y178 AromaticContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CE2 4.27Å; F150-Y178 HydrophobicContact CE2-CG 4.25Å; F150-Y178 HydrophobicContact CG-CD2 4.37Å; F150-Y178 HydrophobicContact CG-CG 4.17Å; F150-Y178 HydrophobicContact CZ-CD2 4.28Å; F150-F185 AromaticContact CD1-CD2 3.38Å; F150-F185 HydrophobicContact CD1-CD2 3.38Å; F150-F185 AromaticContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CG 4.25Å; F150-F185 HydrophobicContact CE1-CB 3.83Å; F150-F185 AromaticContact CE1-CD2 3.25Å; F150-F185 HydrophobicContact CE1-CD2 3.25Å; F150-F185 AromaticContact CE1-CE2 3.94Å; F150-F185 HydrophobicContact CE1-CE2 3.94Å; F150-F185 AromaticContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CG-CD2 4.44Å; F150-F185 HydrophobicContact CZ-CB 4.01Å; F150-F185 HydrophobicContact CZ-CD2 4.24Å; F150-F185 HydrophobicContact CZ-CG 4.34Å; F150-F195 HydrophobicContact CE1-CD1 4.22Å; F150-F195 AromaticContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CZ-CD1 4.09Å; F150-F195 AromaticContact CZ-CE1 3.99Å; F150-F195 HydrophobicContact CZ-CE1 3.99Å; F150-F268 AromaticContact CE2-CD1 3.64Å; F150-F268 HydrophobicContact CE2-CD1 3.64Å; F150-F268 AromaticContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CG 4.09Å; F150-F268 HydrophobicContact CE2-CZ 4.11Å; F150-F268 HydrophobicContact CZ-CD1 4.07Å; F150-F268 AromaticContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE2 4.17Å; F150-F268 AromaticContact CZ-CZ 3.66Å; F150-F268 HydrophobicContact CZ-CZ 3.66Å; F150-S269 WeakPolarHBondContact O-CA 3.23Å; F150-G270 WeakPolarHBondContact CD1-O 3.4Å; F150-G270 PolarHBondContact N-O 2.82Å; F150-G270 PolarHBondContact O-N 2.86Å
151S98.3Very high85.4Confident12 Ų1257.3 Ų57.38%0.08432%0.317CS..EExtended strand (participates in β ladder)trans-144.5127.4164.7-172.20000108.5L171 F172 S269S151-L171 WeakPolarHBondContact O-CA 3.25Å; S151-L171 VanDerWaalsContact O-CB 3.29Å; S151-L171 WeakPolarHBondContact O-CB 3.26Å; S151-L171 PolarHBondContact O-N 2.92Å; S151-F172 PolarHBondContact N-O 2.98Å; S151-F172 PolarHBondContact O-N 3.37Å; S151-S269 WeakPolarHBondContact CB-OG 3.29Å; S151-S269 PolarHBondContact OG-OG 3.26Å
152V98.3Very high87.6Confident0 Ų060.2 Ų60.20%031%0.313CS..EExtended strand (participates in β ladder)trans-137.2144.4-171.6-64.50000110F150 F167 K169 V170 Y178 L267 F268F150-V152 HydrophobicContact CD2-CG1 4.24Å; F150-V152 HydrophobicContact CD2-CG2 4.03Å; F150-V152 HydrophobicContact CE2-CG2 4.17Å; V152-F167 HydrophobicContact CB-CB 3.75Å; V152-F167 HydrophobicContact CG2-CB 3.38Å; V152-F167 HydrophobicContact CG2-CG 3.98Å; V152-K169 CarbonylContact C-O 3.58Å; V152-K169 WeakPolarHBondContact CA-O 3.37Å; V152-V170 HydrophobicContact CG1-CG1 4.49Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; V152-Y178 HydrophobicContact CB-CE1 4.11Å; V152-Y178 HydrophobicContact CG1-CD1 3.58Å; V152-Y178 HydrophobicContact CG1-CE1 3.57Å; V152-Y178 HydrophobicContact CG1-CG 4.22Å; V152-Y178 HydrophobicContact CG2-CD1 4.45Å; V152-Y178 HydrophobicContact CG2-CD2 4.47Å; V152-Y178 HydrophobicContact CG2-CE1 3.96Å; V152-Y178 HydrophobicContact CG2-CE2 4Å; V152-L267 CarbonylContact O-C 3.57Å; V152-L267 WeakPolarHBondContact O-CA 3.29Å; V152-F268 HydrophobicContact CG2-CB 4.11Å; V152-F268 HydrophobicContact CG2-CD1 4.36Å; V152-F268 VanDerWaalsContact CG2-O 3.28Å; V152-F268 WeakPolarHBondContact CG2-O 3.34Å; V152-F268 PolarHBondContact N-O 2.96Å; V152-F268 PolarHBondContact O-N 2.77Å
153G97.3Very high89.7Confident0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-112.3165.3171.300000111.3F167 N168 K169 S266G153-F167 CarbonylContact O-C 3.5Å; G153-F167 VanDerWaalsContact O-C 3.24Å; G153-F167 WeakPolarHBondContact O-CA 3.49Å; G153-F167 WeakPolarHBondContact O-CB 3.49Å; G153-N168 PolarHBondContact O-N 2.86Å; G153-N168 VanDerWaalsContact O-N 3.14Å; G153-K169 PolarHBondContact N-O 3.18Å; G153-K169 WeakPolarHBondContact O-CA 3.35Å; G153-K169 WeakPolarHBondContact O-CB 3.31Å; G153-K169 PolarHBondContact O-N 2.85Å; G153-S266 WeakPolarHBondContact CA-O 3.26Å
154I96.8Very high91.8Very high1 Ų154.1 Ų54.11%0.00528%0.277CS..  trans-104.2146.2170.9-163.1171.3000109.3T156 P159 I165 F167 L257 S259 S266I154-T156 WeakPolarHBondContact CD1-O 3.41Å; I154-T156 WeakPolarHBondContact CG1-O 3.47Å; I154-P159 HydrophobicContact CD1-CB 4.15Å; I154-P159 HydrophobicContact CD1-CG 4.17Å; I154-I165 HydrophobicContact CD1-CG2 3.73Å; I154-F167 HydrophobicContact CB-CD1 3.79Å; I154-F167 HydrophobicContact CB-CE1 4.17Å; I154-F167 HydrophobicContact CB-CG 4.4Å; I154-F167 HydrophobicContact CG2-CD1 4.4Å; I154-F167 HydrophobicContact CG2-CE1 4.37Å; I154-L257 HydrophobicContact CD1-CD2 4Å; I154-L257 HydrophobicContact CG2-CD2 3.8Å; I154-S259 PolarHBondContact O-OG 3.31Å; I154-S266 PolarHBondContact N-O 3.16Å
155T94.6Very high93.7Very high63 Ų6351 Ų5139%0.38726%0.261SS..SBendtrans-107.8-1.3175.668.20000113.4N168 K169T155-N168 PolarHBondContact N-OD1 2.77Å; T155-N168 PolarHBondContact OG1-ND2 3.41Å; T155-N168 PolarHBondContact OG1-OD1 3.34Å; T155-K169 HydrophobicContact CG2-CB 3.76Å; T155-K169 HydrophobicContact CG2-CD 4.34Å; T155-K169 HydrophobicContact CG2-CG 4.48Å
156T94.1Very high95Very high78 Ų7848 Ų4848%0.47924%0.243SC..SBendtrans-122.1138.9-178.358.70000109.2I154I154-T156 WeakPolarHBondContact CD1-O 3.41Å; I154-T156 WeakPolarHBondContact CG1-O 3.47Å
157S95Very high95.8Very high33 Ų3345.9 Ų45.923%0.23123%0.231CC..SBendtrans-85.7154.1172.7-65.70000109.9F258 S259S157-F258 WeakPolarHBondContact OG-CD2 3.44Å; S157-S259 PolarHBondContact OG-N 2.83Å; S157-S259 PolarHBondContact OG-O 2.87Å
158Y95.1Very high96.1Very high85 Ų8543.7 Ų43.733%0.33323%0.226SC..SBendtrans56.759174.3-41.7-66.7000113.7A202 N203 N255 L257Y158-A202 PolarHBondContact OH-O 2.81Å; Y158-N203 PolarHBondContact OH-ND2 3.1Å; Y158-N255 VanDerWaalsContact C-ND2 3.27Å; Y158-N255 WeakPolarHBondContact CA-ND2 3.4Å; Y158-N255 WeakPolarHBondContact CD1-O 3.39Å; Y158-L257 PolarHBondContact N-O 2.91Å
159P95.3Very high96Very high16 Ų1647.1 Ų47.110%0.10424%0.24CC..PPolyproline II helixtrans-60.6162.1176.929-37000111.6I154 E161 I165 N255 L257I154-P159 HydrophobicContact CD1-CB 4.15Å; I154-P159 HydrophobicContact CD1-CG 4.17Å; P159-E161 PolarHBondContact O-N 3.48Å; P159-I165 HydrophobicContact CB-CG1 4.41Å; P159-I165 HydrophobicContact CB-CG2 4.11Å; P159-I165 HydrophobicContact CG-CD1 4.45Å; P159-I165 HydrophobicContact CG-CG1 3.99Å; P159-I165 HydrophobicContact CG-CG2 3.91Å; P159-N255 PolarHBondContact O-ND2 2.58Å; P159-L257 HydrophobicContact CG-CD1 4.17Å; P159-L257 HydrophobicContact CG-CD2 4.27Å
160E94.8Very high95.9Very high145 Ų14549.2 Ų49.268%0.67825%0.25SS*.PPolyproline II helixtrans-59.8134.9-178.7-164.8170.3176.500112.4L163E160-L163 HydrophobicContact CB-CD1 4.24Å; E160-L163 VanDerWaalsContact CD-CD1 3.4Å; E160-L163 HydrophobicContact CG-CD1 3.87Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å
161E94.8Very high95.7Very high50 Ų5053.4 Ų53.423%0.23427%0.273CS..THydrogen-bonded Turntrans-75.9152.8-178.5-61.7177.4177.800111.3P159 L163 I249 T252 D253 N255P159-E161 PolarHBondContact O-N 3.48Å; E161-L163 PolarHBondContact O-N 2.8Å; E161-L163 VanDerWaalsContact O-N 3.15Å; E161-I249 HydrophobicContact CG-CB 4.38Å; E161-I249 HydrophobicContact CG-CG2 4.05Å; E161-T252 VanDerWaalsContact OE2-CA 3.27Å; E161-T252 WeakPolarHBondContact OE2-CA 3.22Å; E161-D253 WeakPolarHBondContact OE1-CA 3.18Å; E161-D253 PolarHBondContact OE1-N 3.31Å; E161-D253 VanDerWaalsContact OE1-N 3.08Å; E161-D253 PolarHBondContact OE2-N 3.14Å; E161-D253 VanDerWaalsContact OE2-N 3.16Å; E161-N255 HydrophobicContact CG-CB 3.99Å; E161-N255 WeakPolarHBondContact OE1-CB 3.33Å
162R93.4Very high95.5Very high167 Ų16757.6 Ų57.663%0.6329%0.289SS*.THydrogen-bonded Turntrans59.517.5179.6-51-170.9-177.8-167.83.7115.4I249 T252R162-I249 WeakPolarHBondContact CA-O 3.41Å; R162-I249 PolarHBondContact N-O 2.92Å; R162-T252 PolarHBondContact NH2-OG1 2.83Å
163L95.4Very high95.2Very high77 Ų7759.4 Ų59.440%0.40330%0.299SS..SBendtrans-123.9158.5171.3-65.8179.7000109.7E160 E161 I165 E248E160-L163 HydrophobicContact CB-CD1 4.24Å; E160-L163 VanDerWaalsContact CD-CD1 3.4Å; E160-L163 HydrophobicContact CG-CD1 3.87Å; E160-L163 WeakPolarHBondContact OE2-CD1 3.28Å; E161-L163 PolarHBondContact O-N 2.8Å; E161-L163 VanDerWaalsContact O-N 3.15Å; L163-I165 PolarHBondContact O-N 2.85Å; L163-E248 WeakPolarHBondContact O-CB 3.39Å
164P97.7Very high94.9Very high37 Ų3763.9 Ų63.924%0.2432%0.32CS..BIsolated β-bridgetrans-54.5128.2169.2-24.934.7000111.2V166 T182 K184 W246P164-V166 PolarHBondContact O-N 2.91Å; P164-T182 WeakPolarHBondContact CB-O 3.33Å; P164-K184 HydrophobicContact CB-CG 4.42Å; P164-W246 HydrophobicContact CB-CB 4.35Å; P164-W246 HydrophobicContact CB-CG 4.05Å; P164-W246 HydrophobicContact CG-CG 4.26Å
165I97.9Very high94.5Very high1 Ų165.8 Ų65.81%0.00534%0.339CS..  trans-73.5124176.8-63.2162.2000108.4I154 P159 L163 F167 G183 I208 L247 I249 L257I154-I165 HydrophobicContact CD1-CG2 3.73Å; P159-I165 HydrophobicContact CB-CG1 4.41Å; P159-I165 HydrophobicContact CB-CG2 4.11Å; P159-I165 HydrophobicContact CG-CD1 4.45Å; P159-I165 HydrophobicContact CG-CG1 3.99Å; P159-I165 HydrophobicContact CG-CG2 3.91Å; L163-I165 PolarHBondContact O-N 2.85Å; I165-F167 HydrophobicContact CB-CD2 4.39Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CG2-CD2 3.91Å; I165-F167 HydrophobicContact CG2-CE2 3.44Å; I165-F167 VanDerWaalsContact CG2-CE2 3.44Å; I165-F167 HydrophobicContact CG2-CZ 3.85Å; I165-F167 WeakPolarHBondContact O-CD2 3.44Å; I165-F167 PolarHBondContact O-N 3.48Å; I165-G183 WeakPolarHBondContact O-CA 3.36Å; I165-I208 HydrophobicContact CD1-CD1 3.77Å; I165-I208 HydrophobicContact CD1-CG1 4.09Å; I165-L247 WeakPolarHBondContact CB-O 3.39Å; I165-L247 HydrophobicContact CD1-CB 4.11Å; I165-L247 PolarHBondContact N-O 3.25Å; I165-I249 HydrophobicContact CD1-CD1 3.91Å; I165-I249 HydrophobicContact CD1-CG1 3.96Å; I165-I249 HydrophobicContact CG1-CG1 4.46Å; I165-L257 HydrophobicContact CD1-CD1 4.01Å; I165-L257 HydrophobicContact CG2-CD1 4.34Å
166V97.8Very high94.3Very high55 Ų5571 Ų7133%0.33336%0.359SS..  trans-88.298-179.9-175.50000110P164 N168 P180P164-V166 PolarHBondContact O-N 2.91Å; V166-N168 HydrophobicContact CG1-CB 4.46Å; V166-N168 PolarHBondContact O-N 2.88Å; V166-P180 WeakPolarHBondContact CG1-O 3.44Å
167F97.4Very high94.4Very high0 Ų068.7 Ų68.70%034%0.343CS..  trans-80.1100.9167.8-62.4-101.6000108.5V152 G153 I154 I165 Y178 I199 L247 F268V152-F167 HydrophobicContact CB-CB 3.75Å; V152-F167 HydrophobicContact CG2-CB 3.38Å; V152-F167 HydrophobicContact CG2-CG 3.98Å; G153-F167 CarbonylContact O-C 3.5Å; G153-F167 VanDerWaalsContact O-C 3.24Å; G153-F167 WeakPolarHBondContact O-CA 3.49Å; G153-F167 WeakPolarHBondContact O-CB 3.49Å; I154-F167 HydrophobicContact CB-CD1 3.79Å; I154-F167 HydrophobicContact CB-CE1 4.17Å; I154-F167 HydrophobicContact CB-CG 4.4Å; I154-F167 HydrophobicContact CG2-CD1 4.4Å; I154-F167 HydrophobicContact CG2-CE1 4.37Å; I165-F167 HydrophobicContact CB-CD2 4.39Å; I165-F167 HydrophobicContact CB-CE2 3.82Å; I165-F167 HydrophobicContact CG2-CD2 3.91Å; I165-F167 HydrophobicContact CG2-CE2 3.44Å; I165-F167 VanDerWaalsContact CG2-CE2 3.44Å; I165-F167 HydrophobicContact CG2-CZ 3.85Å; I165-F167 WeakPolarHBondContact O-CD2 3.44Å; I165-F167 PolarHBondContact O-N 3.48Å; F167-Y178 WeakPolarHBondContact CA-OH 3.41Å; F167-Y178 VanDerWaalsContact CB-OH 3.3Å; F167-Y178 WeakPolarHBondContact CB-OH 3.28Å; F167-Y178 PolarHBondContact N-OH 2.73Å; F167-Y178 VanDerWaalsContact N-OH 3.15Å; F167-Y178 WeakPolarHBondContact O-CE1 3.47Å; F167-Y178 PolarHBondContact O-OH 3.37Å; F167-I199 HydrophobicContact CE1-CD1 4.24Å; F167-I199 HydrophobicContact CZ-CD1 4.1Å; F167-L247 HydrophobicContact CE2-CB 4.18Å; F167-L247 HydrophobicContact CE2-CD1 3.77Å; F167-L247 HydrophobicContact CE2-CG 4.41Å; F167-L247 HydrophobicContact CZ-CD1 3.7Å; F167-F268 HydrophobicContact CD1-CB 4.17Å; F167-F268 HydrophobicContact CD2-CB 4.07Å; F167-F268 HydrophobicContact CD2-CD1 4.33Å; F167-F268 HydrophobicContact CE1-CB 4.06Å; F167-F268 HydrophobicContact CE2-CB 3.95Å; F167-F268 HydrophobicContact CE2-CD1 4.44Å; F167-F268 HydrophobicContact CG-CB 4.21Å; F167-F268 HydrophobicContact CZ-CB 3.96Å
168N93.6Very high94.5Very high72 Ų7267.2 Ų67.239%0.38533%0.332SS..  trans-93-14.4-170.365.8-57.1000114.3G153 T155 V166 V170G153-N168 PolarHBondContact O-N 2.86Å; G153-N168 VanDerWaalsContact O-N 3.14Å; T155-N168 PolarHBondContact N-OD1 2.77Å; T155-N168 PolarHBondContact OG1-ND2 3.41Å; T155-N168 PolarHBondContact OG1-OD1 3.34Å; V166-N168 HydrophobicContact CG1-CB 4.46Å; V166-N168 PolarHBondContact O-N 2.88Å; N168-V170 PolarHBondContact O-N 3.14Å
169K94.3Very high94.5Very high74 Ų7465.9 Ų65.932%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-89.692.8177.2179.1-177.1172-173.10109V152 G153 T155 L171 D265V152-K169 CarbonylContact C-O 3.58Å; V152-K169 WeakPolarHBondContact CA-O 3.37Å; G153-K169 PolarHBondContact N-O 3.18Å; G153-K169 WeakPolarHBondContact O-CA 3.35Å; G153-K169 WeakPolarHBondContact O-CB 3.31Å; G153-K169 PolarHBondContact O-N 2.85Å; T155-K169 HydrophobicContact CG2-CB 3.76Å; T155-K169 HydrophobicContact CG2-CD 4.34Å; T155-K169 HydrophobicContact CG2-CG 4.48Å; K169-L171 HydrophobicContact CG-CD2 4.28Å; K169-L171 PolarHBondContact O-N 2.9Å; K169-D265 IonicContact NZ-OD1 2.8Å; K169-D265 PolarHBondContact NZ-OD1 3.41Å; K169-D265 IonicContact NZ-OD2 3Å
170V94.7Very high94.4Very high66 Ų6667.4 Ų67.440%0.434%0.341SS..EExtended strand (participates in β ladder)trans-74.8117.5177.9-177.60000110.1V152 N168 N173 P180V152-V170 HydrophobicContact CG1-CG1 4.49Å; V152-V170 HydrophobicContact CG1-CG2 4.25Å; N168-V170 PolarHBondContact O-N 3.14Å; V170-N173 HydrophobicContact CG1-CB 3.8Å; V170-P180 HydrophobicContact CG2-CB 3.98Å; V170-P180 HydrophobicContact CG2-CG 4.24Å
171L94.1Very high94.4Very high90 Ų9065.4 Ų65.447%0.47134%0.343SS..EExtended strand (participates in β ladder)trans-84.7-46.3172.1-54179000109.9S151 K169 L267S151-L171 WeakPolarHBondContact O-CA 3.25Å; S151-L171 VanDerWaalsContact O-CB 3.29Å; S151-L171 WeakPolarHBondContact O-CB 3.26Å; S151-L171 PolarHBondContact O-N 2.92Å; K169-L171 HydrophobicContact CG-CD2 4.28Å; K169-L171 PolarHBondContact O-N 2.9Å; L171-L267 HydrophobicContact CD1-CD2 3.96Å
172F93.6Very high94.4Very high100 Ų10065.8 Ų65.844%0.43935%0.349SS..EExtended strand (participates in β ladder)trans-157.7157.4165.572.8-89.1000110.3A149 F150 S151A149-F172 VanDerWaalsContact C-CE2 3.48Å; A149-F172 HydrophobicContact CB-CE2 3.67Å; A149-F172 HydrophobicContact CB-CZ 4.39Å; A149-F172 WeakPolarHBondContact O-CE2 3.32Å; F150-F172 WeakPolarHBondContact CA-O 3.23Å; S151-F172 PolarHBondContact N-O 2.98Å; S151-F172 PolarHBondContact O-N 3.37Å
173N92.8Very high94.6Very high38 Ų3857.8 Ų57.820%0.20332%0.319CS..EExtended strand (participates in β ladder)trans-152.169.7-178.4-170.720.6000110.6A149 V170 G175 E176 Y178A149-N173 CarbonylContact O-C 3.52Å; V170-N173 HydrophobicContact CG1-CB 3.8Å; N173-G175 PolarHBondContact O-N 2.93Å; N173-E176 PolarHBondContact O-N 2.79Å; N173-E176 VanDerWaalsContact O-N 3.14Å; N173-Y178 PolarHBondContact ND2-O 3.4Å; N173-Y178 WeakPolarHBondContact OD1-CB 3.45Å; N173-Y178 PolarHBondContact OD1-N 2.8Å; N173-Y178 VanDerWaalsContact OD1-N 3.14Å
174E90.4Very high94.7Very high94 Ų9456.1 Ų56.144%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-68.9122.1179.8-173.176.3173.200110.3K147 A149K147-E174 HydrophobicContact CB-CG 3.66Å; K147-E174 HydrophobicContact CD-CG 4.13Å; K147-E174 WeakPolarHBondContact CD-OE1 3.18Å; K147-E174 IonicContact NZ-OE1 3.87Å; A149-E174 PolarHBondContact N-O 2.82Å; A149-E174 VanDerWaalsContact N-O 3.13Å; A149-E174 PolarHBondContact O-N 2.56Å
175G87.1Confident94.7Very high40 Ų4054.3 Ų54.341%0.41230%0.297SS..THydrogen-bonded Turntrans90-5.6-173.500000114N173 H177N173-G175 PolarHBondContact O-N 2.93Å; G175-H177 PolarHBondContact O-CD2 3.28Å; G175-H177 PolarHBondContact O-N 3.42Å; G175-H177 VanDerWaalsContact O-N 3.1Å; G175-H177 PolarHBondContact O-NE2 3.19Å; G175-H177 VanDerWaalsContact O-NE2 3.16Å
176E92.3Very high94.7Very high172 Ų17257.5 Ų57.580%0.80431%0.313SS*.SBendtrans56.523.9-179.1-55.4-168.7142.400114.3N173 Y178N173-E176 PolarHBondContact O-N 2.79Å; N173-E176 VanDerWaalsContact O-N 3.14Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 2.87Å
177H95.1Very high94.6Very high30 Ų3055 Ų5514%0.13930%0.298CS..  trans-78.7-15.7-176-60.9152.6000113.6S148 G175 F185 I186 A188S148-H177 WeakPolarHBondContact CB-ND1 3.37Å; S148-H177 PolarHBondContact OG-ND1 2.99Å; G175-H177 PolarHBondContact O-CD2 3.28Å; G175-H177 PolarHBondContact O-N 3.42Å; G175-H177 VanDerWaalsContact O-N 3.1Å; G175-H177 PolarHBondContact O-NE2 3.19Å; G175-H177 VanDerWaalsContact O-NE2 3.16Å; H177-F185 HydrophobicContact CB-CD2 3.93Å; H177-F185 HydrophobicContact CB-CE2 3.42Å; H177-F185 VanDerWaalsContact CB-CE2 3.42Å; H177-F185 HydrophobicContact CB-CZ 4.09Å; H177-F185 CarbonylContact O-C 3.51Å; H177-F185 WeakPolarHBondContact O-CA 3.48Å; H177-I186 WeakPolarHBondContact CB-O 3.32Å; H177-I186 PolarHBondContact O-N 3.05Å; H177-A188 VanDerWaalsContact NE2-CB 3.28Å; H177-A188 WeakPolarHBondContact NE2-CB 3.46Å
178Y97.3Very high94.3Very high2 Ų257 Ų571%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-93.7130.2168.4178-90.6000111F150 V152 F167 N173 E176 P180 G183 F185 F268F150-Y178 AromaticContact CD2-CD2 3.74Å; F150-Y178 HydrophobicContact CD2-CD2 3.74Å; F150-Y178 AromaticContact CD2-CG 3.81Å; F150-Y178 HydrophobicContact CD2-CG 3.81Å; F150-Y178 AromaticContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CD2 3.69Å; F150-Y178 HydrophobicContact CE2-CE2 4.27Å; F150-Y178 HydrophobicContact CE2-CG 4.25Å; F150-Y178 HydrophobicContact CG-CD2 4.37Å; F150-Y178 HydrophobicContact CG-CG 4.17Å; F150-Y178 HydrophobicContact CZ-CD2 4.28Å; V152-Y178 HydrophobicContact CB-CE1 4.11Å; V152-Y178 HydrophobicContact CG1-CD1 3.58Å; V152-Y178 HydrophobicContact CG1-CE1 3.57Å; V152-Y178 HydrophobicContact CG1-CG 4.22Å; V152-Y178 HydrophobicContact CG2-CD1 4.45Å; V152-Y178 HydrophobicContact CG2-CD2 4.47Å; V152-Y178 HydrophobicContact CG2-CE1 3.96Å; V152-Y178 HydrophobicContact CG2-CE2 4Å; F167-Y178 WeakPolarHBondContact CA-OH 3.41Å; F167-Y178 VanDerWaalsContact CB-OH 3.3Å; F167-Y178 WeakPolarHBondContact CB-OH 3.28Å; F167-Y178 PolarHBondContact N-OH 2.73Å; F167-Y178 VanDerWaalsContact N-OH 3.15Å; F167-Y178 WeakPolarHBondContact O-CE1 3.47Å; F167-Y178 PolarHBondContact O-OH 3.37Å; N173-Y178 PolarHBondContact ND2-O 3.4Å; N173-Y178 WeakPolarHBondContact OD1-CB 3.45Å; N173-Y178 PolarHBondContact OD1-N 2.8Å; N173-Y178 VanDerWaalsContact OD1-N 3.14Å; E176-Y178 VanDerWaalsContact C-N 3.35Å; E176-Y178 PolarHBondContact O-N 2.87Å; Y178-P180 HydrophobicContact CD1-CB 4.47Å; Y178-P180 HydrophobicContact CE1-CB 3.99Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å; Y178-G183 WeakPolarHBondContact OH-CA 3.34Å; Y178-F185 HydrophobicContact CD2-CB 4.4Å; Y178-F268 HydrophobicContact CE2-CD1 4.26Å; Y178-F268 HydrophobicContact CE2-CE1 4.38Å
179N95.2Very high94.4Very high58 Ų5854.2 Ų54.231%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-102.7105.6179-178.4-25.8000111S181 T182 G183 K184N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CA 3.36Å; N179-S181 WeakPolarHBondContact OD1-CB 3.33Å; N179-S181 PolarHBondContact OD1-N 3.03Å; N179-T182 WeakPolarHBondContact CB-OG1 3.14Å; N179-T182 PolarHBondContact O-N 3Å; N179-T182 VanDerWaalsContact O-N 3.13Å; N179-T182 PolarHBondContact O-OG1 2.78Å; N179-T182 PolarHBondContact OD1-N 3.4Å; N179-G183 PolarHBondContact O-N 3.35Å; N179-K184 PolarHBondContact N-O 3.45Å
180P93.4Very high94.4Very high47 Ų4751 Ų5131%0.30529%0.286SS..THydrogen-bonded Turntrans-72.4-7.2-177.231.3-36.7000114.2V166 V170 Y178V166-P180 WeakPolarHBondContact CG1-O 3.44Å; V170-P180 HydrophobicContact CG2-CB 3.98Å; V170-P180 HydrophobicContact CG2-CG 4.24Å; Y178-P180 HydrophobicContact CD1-CB 4.47Å; Y178-P180 HydrophobicContact CE1-CB 3.99Å; Y178-P180 WeakPolarHBondContact O-CD 3.3Å
181S93.8Very high94.4Very high104 Ų10447.9 Ų47.973%0.72727%0.267SS*.THydrogen-bonded Turntrans-86.6-21.2171.8-54.90000112.7N179N179-S181 PolarHBondContact O-N 3.33Å; N179-S181 WeakPolarHBondContact OD1-CA 3.36Å; N179-S181 WeakPolarHBondContact OD1-CB 3.33Å; N179-S181 PolarHBondContact OD1-N 3.03Å
182T95.7Very high94.6Very high57 Ų5746.5 Ų46.535%0.3526%0.26SS..THydrogen-bonded Turntrans-114.8-18.4-176.662.20000113.6P164 N179 K184P164-T182 WeakPolarHBondContact CB-O 3.33Å; N179-T182 WeakPolarHBondContact CB-OG1 3.14Å; N179-T182 PolarHBondContact O-N 3Å; N179-T182 VanDerWaalsContact O-N 3.13Å; N179-T182 PolarHBondContact O-OG1 2.78Å; N179-T182 PolarHBondContact OD1-N 3.4Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact OG1-N 3.33Å
183G96.4Very high94.8Very high0 Ų041.7 Ų41.70%024%0.239CC..THydrogen-bonded Turntrans80.67.8-175.400000114.4I165 Y178 N179I165-G183 WeakPolarHBondContact O-CA 3.36Å; Y178-G183 WeakPolarHBondContact OH-CA 3.34Å; N179-G183 PolarHBondContact O-N 3.35Å
184K97.9Very high95.1Very high41 Ų4143.1 Ų43.118%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-109140.1-172.9-59.2-171.4177.7-1750112.2P164 N179 T182 E244 W246P164-K184 HydrophobicContact CB-CG 4.42Å; N179-K184 PolarHBondContact N-O 3.45Å; T182-K184 VanDerWaalsContact C-N 3.29Å; T182-K184 PolarHBondContact OG1-N 3.33Å; K184-E244 HydrophobicContact CD-CB 4.48Å; K184-E244 HydrophobicContact CD-CG 4.44Å; K184-E244 WeakPolarHBondContact CD-OE1 3.24Å; K184-E244 IonicContact NZ-OE1 4Å; K184-E244 PolarHBondContact NZ-OE1 2.88Å; K184-E244 IonicContact NZ-OE2 3.93Å; K184-E244 PolarHBondContact NZ-OE2 2.96Å; K184-W246 HydrophobicContact CD-CE3 4.38Å; K184-W246 HydrophobicContact CG-CB 4.06Å; K184-W246 HydrophobicContact CG-CE3 4.49Å; K184-W246 HydrophobicContact CG-CG 4.44Å
185F98.4Very high95.5Very high0 Ų038.7 Ų38.70%022%0.221CC..EExtended strand (participates in β ladder)trans-87.3130.9158.7174.6-94000109.1F150 H177 Y178 C187 Y193 F195 L239 E244 V245F150-F185 AromaticContact CD1-CD2 3.38Å; F150-F185 HydrophobicContact CD1-CD2 3.38Å; F150-F185 AromaticContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CE2 3.86Å; F150-F185 HydrophobicContact CD1-CG 4.25Å; F150-F185 HydrophobicContact CE1-CB 3.83Å; F150-F185 AromaticContact CE1-CD2 3.25Å; F150-F185 HydrophobicContact CE1-CD2 3.25Å; F150-F185 AromaticContact CE1-CE2 3.94Å; F150-F185 HydrophobicContact CE1-CE2 3.94Å; F150-F185 AromaticContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CE1-CG 3.67Å; F150-F185 HydrophobicContact CG-CD2 4.44Å; F150-F185 HydrophobicContact CZ-CB 4.01Å; F150-F185 HydrophobicContact CZ-CD2 4.24Å; F150-F185 HydrophobicContact CZ-CG 4.34Å; H177-F185 HydrophobicContact CB-CD2 3.93Å; H177-F185 HydrophobicContact CB-CE2 3.42Å; H177-F185 VanDerWaalsContact CB-CE2 3.42Å; H177-F185 HydrophobicContact CB-CZ 4.09Å; H177-F185 CarbonylContact O-C 3.51Å; H177-F185 WeakPolarHBondContact O-CA 3.48Å; Y178-F185 HydrophobicContact CD2-CB 4.4Å; F185-C187 HydrophobicContact CE1-CB 4.02Å; F185-Y193 HydrophobicContact CE1-CD1 4.27Å; F185-Y193 HydrophobicContact CE1-CE1 4.08Å; F185-Y193 HydrophobicContact CE2-CE1 4.5Å; F185-Y193 HydrophobicContact CZ-CD1 4.01Å; F185-Y193 AromaticContact CZ-CE1 3.53Å; F185-Y193 HydrophobicContact CZ-CE1 3.53Å; F185-F195 HydrophobicContact CB-CE1 4.42Å; F185-F195 AromaticContact CD1-CE1 3.95Å; F185-F195 HydrophobicContact CD1-CE1 3.95Å; F185-F195 AromaticContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CE1-CE1 4.44Å; F185-F195 AromaticContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CG-CE1 4.12Å; F185-F195 HydrophobicContact CG-CZ 4.4Å; F185-L239 HydrophobicContact CD1-CD1 4.23Å; F185-L239 HydrophobicContact CE1-CD1 3.73Å; F185-E244 CarbonylContact O-C 3.53Å; F185-E244 WeakPolarHBondContact O-CA 3.43Å; F185-V245 HydrophobicContact CB-CB 4.42Å; F185-V245 HydrophobicContact CD1-CB 4.33Å; F185-V245 HydrophobicContact CD1-CG2 4.5Å; F185-V245 PolarHBondContact N-O 3.2Å; F185-V245 PolarHBondContact O-N 3.01Å
186I97.3Very high96Very high67 Ų6737.9 Ų37.934%0.34421%0.209SC..EExtended strand (participates in β ladder)trans-115.8118176.1-55.6175000107.1H177 A188H177-I186 WeakPolarHBondContact CB-O 3.32Å; H177-I186 PolarHBondContact O-N 3.05Å; I186-A188 PolarHBondContact O-N 3.11Å
187C95.9Very high96.3Very high2 Ų229.7 Ų29.71%0.01417%0.171CC..  trans-68.3126.2-179.4-171.70000110.5F185 I189 L239 Q240 P241 E242 D243F185-C187 HydrophobicContact CE1-CB 4.02Å; C187-I189 PolarHBondContact SG-O 2.88Å; C187-L239 HydrophobicContact CB-CB 3.94Å; C187-L239 HydrophobicContact CB-CD1 4.07Å; C187-L239 VanDerWaalsContact SG-CB 3.56Å; C187-Q240 VanDerWaalsContact CB-O 3.26Å; C187-Q240 WeakPolarHBondContact CB-O 3.32Å; C187-P241 CarbonylContact O-C 3.57Å; C187-P241 WeakPolarHBondContact O-CA 3.48Å; C187-E242 PolarHBondContact O-N 3.26Å; C187-D243 HydrophobicContact CB-CB 4.28Å; C187-D243 PolarHBondContact N-O 3.48Å
188A92.2Very high96.4Very high44 Ų4431.7 Ų31.736%0.36418%0.183SC..  trans-104.7-22.4168.900000112.7H177 I186H177-A188 VanDerWaalsContact NE2-CB 3.28Å; H177-A188 WeakPolarHBondContact NE2-CB 3.46Å; I186-A188 PolarHBondContact O-N 3.11Å
189I93.7Very high96.4Very high12 Ų1231.6 Ų31.66%0.06218%0.182CC..SBendtrans-119.9113-171.8-56.1170.7000107.9L146 C187 Y193 L272 V275 Y279L146-I189 HydrophobicContact CB-CD1 4Å; L146-I189 HydrophobicContact CB-CG2 4.36Å; L146-I189 HydrophobicContact CD1-CG2 3.95Å; L146-I189 HydrophobicContact CD2-CD1 3.97Å; L146-I189 HydrophobicContact CD2-CG1 4.43Å; L146-I189 HydrophobicContact CG-CD1 4.43Å; C187-I189 PolarHBondContact SG-O 2.88Å; I189-Y193 VanDerWaalsContact O-CE2 3.25Å; I189-Y193 WeakPolarHBondContact O-CE2 3.2Å; I189-Y193 PolarHBondContact O-OH 2.82Å; I189-L272 HydrophobicContact CB-CD2 4.34Å; I189-L272 HydrophobicContact CG2-CD2 3.79Å; I189-V275 HydrophobicContact CG2-CG1 3.83Å; I189-V275 HydrophobicContact CG2-CG2 4.48Å; I189-Y279 HydrophobicContact CG2-CD1 4.35Å; I189-Y279 HydrophobicContact CG2-CE1 4.07Å
190P95.1Very high96.4Very high6 Ų629.6 Ų29.64%0.03917%0.172CC..  trans-62.7141179.825.2-30.9000110.7L239 P241 D276 Y279P190-L239 VanDerWaalsContact CA-O 3.3Å; P190-L239 WeakPolarHBondContact CA-O 3.36Å; P190-P241 HydrophobicContact CB-CG 4.47Å; P190-P241 HydrophobicContact CG-CG 4.42Å; P190-D276 HydrophobicContact CB-CB 3.97Å; P190-D276 HydrophobicContact CG-CB 4.11Å; P190-D276 PolarHBondContact O-N 3.41Å; P190-Y279 HydrophobicContact CG-CD1 3.91Å; P190-Y279 HydrophobicContact CG-CD2 3.58Å; P190-Y279 HydrophobicContact CG-CE2 4.25Å; P190-Y279 HydrophobicContact CG-CG 3.38Å
191G95.5Very high96.5Very high1 Ų127.4 Ų27.41%0.0116%0.158CC..EExtended strand (participates in β ladder)trans156-166.8178.100000114.5Y193 Y238 L239 Y274G191-Y193 WeakPolarHBondContact O-CD2 3.39Å; G191-Y238 CarbonylContact O-C 3.57Å; G191-Y238 WeakPolarHBondContact O-CA 3.45Å; G191-L239 PolarHBondContact N-O 3.49Å; G191-L239 PolarHBondContact O-N 2.75Å; G191-Y274 CarbonylContact C-O 3.54Å; G191-Y274 VanDerWaalsContact CA-O 3.26Å; G191-Y274 WeakPolarHBondContact CA-O 3.27Å
192I96.9Very high96.5Very high61 Ų6122.4 Ų22.431%0.31312%0.123SC..EExtended strand (participates in β ladder)trans-93.8120.4-178.3-58.3176.9000109.1V236 Y238 L273 Y274I192-V236 HydrophobicContact CG2-CG1 3.26Å; I192-Y238 HydrophobicContact CG1-CD2 4.09Å; I192-L273 HydrophobicContact CG2-CB 4.44Å; I192-L273 HydrophobicContact CG2-CD1 4.21Å; I192-L273 WeakPolarHBondContact O-CB 3.45Å; I192-L273 PolarHBondContact O-N 3.01Å; I192-Y274 HydrophobicContact CB-CD2 4.48Å; I192-Y274 HydrophobicContact CD1-CD2 4.26Å; I192-Y274 PolarHBondContact N-O 2.87Å; I192-Y274 PolarHBondContact O-N 2.9Å
193Y98.3Very high96.3Very high0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-111.6143.2179.2-73.5-99000111.3S148 F185 I189 G191 F195 V236 I237 L239 F271 L272S148-Y193 WeakPolarHBondContact OG-CE1 3.19Å; F185-Y193 HydrophobicContact CE1-CD1 4.27Å; F185-Y193 HydrophobicContact CE1-CE1 4.08Å; F185-Y193 HydrophobicContact CE2-CE1 4.5Å; F185-Y193 HydrophobicContact CZ-CD1 4.01Å; F185-Y193 AromaticContact CZ-CE1 3.53Å; F185-Y193 HydrophobicContact CZ-CE1 3.53Å; I189-Y193 VanDerWaalsContact O-CE2 3.25Å; I189-Y193 WeakPolarHBondContact O-CE2 3.2Å; I189-Y193 PolarHBondContact O-OH 2.82Å; G191-Y193 WeakPolarHBondContact O-CD2 3.39Å; Y193-F195 VanDerWaalsContact CB-CE2 3.45Å; Y193-F195 HydrophobicContact CD1-CZ 4.39Å; Y193-F195 HydrophobicContact CG-CE2 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.37Å; Y193-V236 CarbonylContact O-C 3.59Å; Y193-V236 VanDerWaalsContact O-CA 3.24Å; Y193-V236 WeakPolarHBondContact O-CA 3.49Å; Y193-I237 PolarHBondContact N-O 3.22Å; Y193-I237 PolarHBondContact O-N 3.41Å; Y193-L239 HydrophobicContact CD1-CD1 4.45Å; Y193-L239 HydrophobicContact CD2-CB 3.86Å; Y193-L239 HydrophobicContact CD2-CD1 3.66Å; Y193-L239 HydrophobicContact CD2-CG 3.84Å; Y193-L239 HydrophobicContact CE2-CB 4.02Å; Y193-L239 HydrophobicContact CE2-CD1 4.15Å; Y193-L239 HydrophobicContact CE2-CG 4.42Å; Y193-L239 HydrophobicContact CG-CD1 3.83Å; Y193-L239 HydrophobicContact CG-CG 4.36Å; Y193-F271 WeakPolarHBondContact CA-O 3.41Å; Y193-L272 HydrophobicContact CD1-CB 4.17Å; Y193-L272 HydrophobicContact CD2-CD1 4.1Å; Y193-L272 HydrophobicContact CE1-CB 3.72Å; Y193-L272 HydrophobicContact CE1-CD1 4.13Å; Y193-L272 HydrophobicContact CE1-CG 4.48Å; Y193-L272 HydrophobicContact CE2-CD1 3.65Å
194Y98.6Very high96.1Very high68 Ų6830 Ų3027%0.26716%0.157SC..EExtended strand (participates in β ladder)trans-102.1133165.4178.4-95.6000109.2S234 V236 G270 F271Y194-S234 WeakPolarHBondContact OH-CB 3.45Å; Y194-S234 PolarHBondContact OH-OG 3.44Å; Y194-V236 HydrophobicContact CD2-CG2 3.92Å; Y194-G270 CarbonylContact O-C 3.24Å; Y194-G270 WeakPolarHBondContact O-CA 3.49Å; Y194-F271 HydrophobicContact CD1-CD1 4.23Å; Y194-F271 AromaticContact CD1-CE1 3.42Å; Y194-F271 HydrophobicContact CD1-CE1 3.42Å; Y194-F271 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F271 AromaticContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CE1-CE1 4.13Å; Y194-F271 HydrophobicContact CE1-CZ 4.42Å; Y194-F271 HydrophobicContact CG-CE1 4.25Å; Y194-F271 HydrophobicContact CG-CZ 4.11Å; Y194-F271 PolarHBondContact N-O 3.29Å; Y194-F271 PolarHBondContact O-N 3.35Å
195F98.6Very high95.9Very high0 Ų032.3 Ų32.30%017%0.169CC..EExtended strand (participates in β ladder)trans-122.5140.7172.6-65.9-85.8000109.9F150 F185 Y193 L210 S234 T235 I237 L239 V245 F268 S269F150-F195 HydrophobicContact CE1-CD1 4.22Å; F150-F195 AromaticContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CE1-CE1 3.79Å; F150-F195 HydrophobicContact CZ-CD1 4.09Å; F150-F195 AromaticContact CZ-CE1 3.99Å; F150-F195 HydrophobicContact CZ-CE1 3.99Å; F185-F195 HydrophobicContact CB-CE1 4.42Å; F185-F195 AromaticContact CD1-CE1 3.95Å; F185-F195 HydrophobicContact CD1-CE1 3.95Å; F185-F195 AromaticContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CD1-CZ 3.77Å; F185-F195 HydrophobicContact CE1-CE1 4.44Å; F185-F195 AromaticContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CE1-CZ 3.98Å; F185-F195 HydrophobicContact CG-CE1 4.12Å; F185-F195 HydrophobicContact CG-CZ 4.4Å; Y193-F195 VanDerWaalsContact CB-CE2 3.45Å; Y193-F195 HydrophobicContact CD1-CZ 4.39Å; Y193-F195 HydrophobicContact CG-CE2 4.29Å; Y193-F195 HydrophobicContact CG-CZ 4.37Å; F195-L210 HydrophobicContact CB-CD1 3.65Å; F195-L210 HydrophobicContact CG-CD1 4.28Å; F195-S234 CarbonylContact O-C 3.52Å; F195-S234 WeakPolarHBondContact O-CA 3.44Å; F195-S234 VanDerWaalsContact O-CB 3.3Å; F195-S234 WeakPolarHBondContact O-CB 3.31Å; F195-T235 PolarHBondContact N-O 3.05Å; F195-T235 PolarHBondContact O-N 3.09Å; F195-I237 HydrophobicContact CD2-CD1 4.07Å; F195-I237 HydrophobicContact CD2-CG1 4.42Å; F195-I237 HydrophobicContact CE2-CD1 4.36Å; F195-L239 HydrophobicContact CE2-CD1 3.84Å; F195-L239 HydrophobicContact CZ-CD1 3.73Å; F195-V245 HydrophobicContact CD1-CG1 4.1Å; F195-V245 HydrophobicContact CD2-CG1 4.36Å; F195-V245 HydrophobicContact CE1-CB 4.11Å; F195-V245 HydrophobicContact CE1-CG1 3.9Å; F195-V245 HydrophobicContact CE2-CB 4.48Å; F195-V245 HydrophobicContact CE2-CG1 4.19Å; F195-V245 HydrophobicContact CE2-CG2 4.1Å; F195-V245 HydrophobicContact CG-CG1 4.33Å; F195-V245 HydrophobicContact CZ-CB 3.96Å; F195-V245 HydrophobicContact CZ-CG1 3.97Å; F195-V245 HydrophobicContact CZ-CG2 3.87Å; F195-F268 HydrophobicContact CB-CE2 4.35Å; F195-F268 AromaticContact CD1-CE2 3.93Å; F195-F268 HydrophobicContact CD1-CE2 3.93Å; F195-F268 AromaticContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CE1-CZ 4.44Å; F195-S269 WeakPolarHBondContact CA-O 3.3Å
196S98.4Very high95.8Very high23 Ų2332.3 Ų32.316%0.16117%0.169CC..EExtended strand (participates in β ladder)trans-142.5150172.660.90000111.4G233 S269S196-G233 CarbonylContact C-O 3.57Å; S196-G233 VanDerWaalsContact CA-O 3.29Å; S196-G233 WeakPolarHBondContact CA-O 3.42Å; S196-S269 PolarHBondContact N-O 2.62Å; S196-S269 PolarHBondContact O-N 3.18Å; S196-S269 VanDerWaalsContact O-O 3.06Å
197Y98.4Very high95.8Very high1 Ų129.1 Ų29.10%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-139.5147171.852.1-90.6000110.2I199 I208 L210 I218 T220 S232 G233 L247 L267Y197-I199 HydrophobicContact CD2-CG1 3.95Å; Y197-I208 HydrophobicContact CE2-CG2 3.94Å; Y197-L210 HydrophobicContact CD1-CD1 4.26Å; Y197-L210 HydrophobicContact CE1-CB 3.99Å; Y197-L210 HydrophobicContact CE1-CD1 4.12Å; Y197-I218 HydrophobicContact CE1-CD1 4.02Å; Y197-I218 WeakPolarHBondContact OH-CG2 3.44Å; Y197-T220 PolarHBondContact OH-OG1 2.75Å; Y197-S232 WeakPolarHBondContact O-CA 3.29Å; Y197-S232 WeakPolarHBondContact O-CB 3.49Å; Y197-G233 WeakPolarHBondContact CD1-O 3.39Å; Y197-G233 PolarHBondContact N-O 2.6Å; Y197-G233 PolarHBondContact O-N 2.96Å; Y197-L247 HydrophobicContact CD1-CD1 4.16Å; Y197-L247 HydrophobicContact CD1-CD2 3.55Å; Y197-L247 HydrophobicContact CD1-CG 4.49Å; Y197-L247 HydrophobicContact CE1-CD2 3.77Å; Y197-L247 HydrophobicContact CG-CD1 3.91Å; Y197-L247 HydrophobicContact CG-CD2 4.05Å; Y197-L267 WeakPolarHBondContact CA-O 2.95Å; Y197-L267 WeakPolarHBondContact CB-O 3.25Å
198D97.6Very high95.8Very high71 Ų7129 Ų2938%0.3815%0.152SC..EExtended strand (participates in β ladder)trans-131110.4178.6-64-66.3000106.8S232 S266 L267D198-S232 VanDerWaalsContact OD1-CB 3.26Å; D198-S232 WeakPolarHBondContact OD1-CB 3.49Å; D198-S232 PolarHBondContact OD1-OG 2.86Å; D198-S266 CarbonylContact O-C 3.49Å; D198-S266 WeakPolarHBondContact O-CA 3.35Å; D198-L267 PolarHBondContact N-O 3.12Å; D198-L267 PolarHBondContact O-N 2.86Å
199I97.3Very high96.1Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-116.1117.2-170.2-55.2-60.6000109F167 Y197 L206 I208 V230 A231 L257F167-I199 HydrophobicContact CE1-CD1 4.24Å; F167-I199 HydrophobicContact CZ-CD1 4.1Å; Y197-I199 HydrophobicContact CD2-CG1 3.95Å; I199-L206 HydrophobicContact CB-CD2 3.98Å; I199-L206 HydrophobicContact CG2-CD1 4.25Å; I199-L206 HydrophobicContact CG2-CD2 3.65Å; I199-I208 HydrophobicContact CD1-CD1 4.03Å; I199-I208 HydrophobicContact CG1-CD1 3.88Å; I199-V230 WeakPolarHBondContact O-CA 3.44Å; I199-A231 PolarHBondContact N-O 3.5Å; I199-A231 PolarHBondContact O-N 2.96Å; I199-L257 HydrophobicContact CD1-CD1 4.22Å; I199-L257 HydrophobicContact CG2-CB 4.14Å; I199-L257 HydrophobicContact CG2-CD1 4.05Å; I199-L257 HydrophobicContact CG2-CG 3.74Å
200T95.9Very high96.3Very high17 Ų1726.3 Ų26.310%0.10413%0.132CC..EExtended strand (participates in β ladder)trans-73.9132.1166.6-58.50000108.4F258 A264 D265 S266T200-F258 HydrophobicContact CG2-CD1 4.12Å; T200-F258 PolarHBondContact O-N 3.09Å; T200-A264 HydrophobicContact CG2-CB 4.1Å; T200-D265 PolarHBondContact OG1-O 2.82Å; T200-S266 PolarHBondContact N-OG 3.21Å; T200-S266 PolarHBondContact O-OG 2.91Å
201L93.9Very high96.5Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-118142.7177.266.3119.9000113.1L206 D222 N224 H228 D229 A231 G256L201-L206 HydrophobicContact CB-CB 4.29Å; L201-L206 HydrophobicContact CB-CD2 4.49Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; L201-D222 HydrophobicContact CD2-CB 3.76Å; L201-N224 HydrophobicContact CD1-CB 3.6Å; L201-H228 VanDerWaalsContact O-CA 3.26Å; L201-H228 WeakPolarHBondContact O-CA 3.47Å; L201-D229 HydrophobicContact CD1-CB 3.89Å; L201-D229 HydrophobicContact CD2-CB 3.7Å; L201-D229 WeakPolarHBondContact CD2-O 3.24Å; L201-D229 HydrophobicContact CG-CB 3.73Å; L201-D229 WeakPolarHBondContact CG-O 3.27Å; L201-D229 PolarHBondContact N-O 3.47Å; L201-D229 PolarHBondContact O-N 3.17Å; L201-A231 HydrophobicContact CD2-CB 3.88Å; L201-G256 CarbonylContact C-O 3.57Å; L201-G256 WeakPolarHBondContact CA-O 3.4Å
202A93.6Very high96.6Very high0 Ų026.6 Ų26.60%013%0.132CC..EExtended strand (participates in β ladder)trans-147.5149.2-178.400000111.6Y158 K204 N224 H228 G256 F258Y158-A202 PolarHBondContact OH-O 2.81Å; A202-K204 PolarHBondContact O-N 3.13Å; A202-N224 VanDerWaalsContact CA-ND2 3.32Å; A202-N224 WeakPolarHBondContact CA-ND2 3.41Å; A202-H228 VanDerWaalsContact CB-ND1 3.31Å; A202-H228 WeakPolarHBondContact CB-ND1 3.38Å; A202-G256 PolarHBondContact N-O 3.12Å; A202-F258 HydrophobicContact CB-CB 3.6Å; A202-F258 HydrophobicContact CB-CD1 4.04Å; A202-F258 HydrophobicContact CB-CD2 3.65Å; A202-F258 HydrophobicContact CB-CE2 4.34Å; A202-F258 HydrophobicContact CB-CG 3.47Å; A202-F258 VanDerWaalsContact CB-CG 3.47Å
203N91.3Very high96.6Very high133 Ų13327.6 Ų27.671%0.71114%0.138SC*.SBendtrans56.5-30.3177.4-56.6-53.8000119.1Y158 N224Y158-N203 PolarHBondContact OH-ND2 3.1Å; N203-N224 PolarHBondContact N-ND2 2.98Å
204K92.4Very high96.5Very high82 Ų8230.2 Ų30.236%0.35717%0.165SC..SBendtrans-128.2160.9179.4-60-171.6175.1-159.10111A202 N224 D253 G256A202-K204 PolarHBondContact O-N 3.13Å; K204-N224 VanDerWaalsContact O-CB 3.27Å; K204-N224 WeakPolarHBondContact O-CB 3.29Å; K204-N224 PolarHBondContact O-ND2 2.85Å; K204-D253 IonicContact NZ-OD1 2.68Å; K204-D253 PolarHBondContact NZ-OD1 2.99Å; K204-G256 WeakPolarHBondContact O-CA 3.16Å
205H94.6Very high96.4Very high90 Ų9033.5 Ų33.542%0.41718%0.18SC..  trans-66156.6168.5-53.5-43.1000110.6D222 N224 Q254 N255 G256H205-D222 WeakPolarHBondContact CA-O 3.39Å; H205-N224 PolarHBondContact ND1-N 3.43Å; H205-N224 VanDerWaalsContact ND1-N 3.17Å; H205-Q254 HydrophobicContact CB-CG 4.22Å; H205-Q254 CarbonylContact O-C 3.57Å; H205-Q254 VanDerWaalsContact O-CA 3.22Å; H205-Q254 WeakPolarHBondContact O-CA 3.42Å; H205-Q254 VanDerWaalsContact O-O 3.1Å; H205-N255 PolarHBondContact O-N 2.75Å; H205-G256 WeakPolarHBondContact O-CA 3.26Å; H205-G256 PolarHBondContact O-N 2.88Å
206L96.2Very high96.3Very high0 Ų037.4 Ų37.40%020%0.196CC..EExtended strand (participates in β ladder)trans-114.5129.8-179.9-177.271.5000110.4I199 L201 I208 F221 D222 A231 I249 Q254 L257I199-L206 HydrophobicContact CB-CD2 3.98Å; I199-L206 HydrophobicContact CG2-CD1 4.25Å; I199-L206 HydrophobicContact CG2-CD2 3.65Å; L201-L206 HydrophobicContact CB-CB 4.29Å; L201-L206 HydrophobicContact CB-CD2 4.49Å; L201-L206 HydrophobicContact CD2-CD2 4.33Å; L206-I208 HydrophobicContact CD1-CB 4.27Å; L206-I208 HydrophobicContact CD2-CG2 3.98Å; L206-I208 HydrophobicContact CG-CB 4.29Å; L206-I208 HydrophobicContact CG-CG2 4.16Å; L206-F221 CarbonylContact O-C 3.59Å; L206-F221 VanDerWaalsContact O-CA 3.31Å; L206-F221 WeakPolarHBondContact O-CA 3.32Å; L206-D222 HydrophobicContact CB-CB 4.33Å; L206-D222 PolarHBondContact N-O 3.13Å; L206-D222 PolarHBondContact O-N 2.81Å; L206-A231 HydrophobicContact CD2-CB 3.68Å; L206-I249 HydrophobicContact CD1-CD1 3.86Å; L206-Q254 CarbonylContact C-O 3.55Å; L206-Q254 WeakPolarHBondContact CA-O 3.49Å; L206-L257 HydrophobicContact CD1-CB 4.02Å
207A96.6Very high96.2Very high0 Ų042 Ų420%021%0.21CC..EExtended strand (participates in β ladder)trans-130.891166.700000109.9T220 F221 I249 F250 Q254A207-T220 WeakPolarHBondContact CA-O 3.26Å; A207-F221 HydrophobicContact CB-CD1 3.92Å; A207-F221 HydrophobicContact CB-CE1 4.08Å; A207-I249 WeakPolarHBondContact O-CA 3.13Å; A207-F250 HydrophobicContact CB-CE1 4.09Å; A207-F250 HydrophobicContact CB-CE2 4.18Å; A207-F250 HydrophobicContact CB-CZ 3.82Å; A207-F250 PolarHBondContact O-N 2.94Å; A207-Q254 HydrophobicContact CB-CB 3.77Å; A207-Q254 VanDerWaalsContact CB-OE1 3.31Å; A207-Q254 PolarHBondContact N-O 3.29Å
208I97.4Very high96.1Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-111.1138.5-177.1-166.7172.4000110.5I165 Y197 I199 L206 T220 L247 E248 I249 L257I165-I208 HydrophobicContact CD1-CD1 3.77Å; I165-I208 HydrophobicContact CD1-CG1 4.09Å; Y197-I208 HydrophobicContact CE2-CG2 3.94Å; I199-I208 HydrophobicContact CD1-CD1 4.03Å; I199-I208 HydrophobicContact CG1-CD1 3.88Å; L206-I208 HydrophobicContact CD1-CB 4.27Å; L206-I208 HydrophobicContact CD2-CG2 3.98Å; L206-I208 HydrophobicContact CG-CB 4.29Å; L206-I208 HydrophobicContact CG-CG2 4.16Å; I208-T220 PolarHBondContact N-O 2.85Å; I208-T220 PolarHBondContact O-N 2.95Å; I208-L247 HydrophobicContact CD1-CB 4.06Å; I208-L247 HydrophobicContact CD1-CD1 4Å; I208-L247 HydrophobicContact CD1-CG 4.45Å; I208-L247 HydrophobicContact CG1-CB 4.29Å; I208-E248 WeakPolarHBondContact CA-O 3.15Å; I208-I249 HydrophobicContact CB-CD1 4.01Å; I208-I249 HydrophobicContact CD1-CD1 4.45Å; I208-I249 HydrophobicContact CG1-CD1 4.1Å; I208-L257 HydrophobicContact CD1-CD1 4.34Å
209G97.5Very high96.1Very high0 Ų045 Ų450%022%0.221CC..EExtended strand (participates in β ladder)trans-123140179.400000111.5I218 L247 E248G209-I218 CarbonylContact C-O 2.93Å; G209-I218 WeakPolarHBondContact CA-O 3.32Å; G209-L247 VanDerWaalsContact O-CA 3.31Å; G209-L247 WeakPolarHBondContact O-CA 3.21Å; G209-E248 PolarHBondContact N-O 2.88Å; G209-E248 PolarHBondContact O-N 3.13Å
210L98.4Very high96Very high0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-88.1122.1164.1-172.5149.7000108.9F195 Y197 Y216 R217 I218 T235 I237 V245 L247 F268F195-L210 HydrophobicContact CB-CD1 3.65Å; F195-L210 HydrophobicContact CG-CD1 4.28Å; Y197-L210 HydrophobicContact CD1-CD1 4.26Å; Y197-L210 HydrophobicContact CE1-CB 3.99Å; Y197-L210 HydrophobicContact CE1-CD1 4.12Å; L210-Y216 WeakPolarHBondContact O-CA 3.31Å; L210-R217 HydrophobicContact CD2-CB 3.88Å; L210-R217 HydrophobicContact CD2-CG 4.25Å; L210-R217 PolarHBondContact O-N 2.87Å; L210-I218 HydrophobicContact CB-CB 4.15Å; L210-I218 HydrophobicContact CB-CD1 4.2Å; L210-I218 HydrophobicContact CB-CG1 4.43Å; L210-I218 HydrophobicContact CD1-CD1 4.36Å; L210-I218 PolarHBondContact N-O 3.19Å; L210-I218 PolarHBondContact O-N 2.94Å; L210-T235 HydrophobicContact CD1-CG2 4.45Å; L210-T235 HydrophobicContact CD2-CG2 4.29Å; L210-I237 HydrophobicContact CD2-CD1 3.61Å; L210-V245 HydrophobicContact CD1-CG1 4.42Å; L210-V245 HydrophobicContact CD2-CG1 3.86Å; L210-V245 HydrophobicContact CG-CG1 4.13Å; L210-L247 HydrophobicContact CB-CD2 3.79Å; L210-L247 HydrophobicContact CD1-CD2 4.26Å; L210-L247 HydrophobicContact CG-CD2 4.14Å; L210-F268 HydrophobicContact CD1-CE2 4.24Å
211V98.3Very high96Very high0 Ų051 Ų510%025%0.247CC..EExtended strand (participates in β ladder)trans-112135-174.2-170.90000109.1G214 K215 Y216 V245 W246 E248V211-G214 VanDerWaalsContact CG1-C 3.48Å; V211-G214 VanDerWaalsContact CG1-CA 3.47Å; V211-K215 WeakPolarHBondContact CA-O 3.33Å; V211-Y216 HydrophobicContact CG2-CD1 3.71Å; V211-Y216 HydrophobicContact CG2-CE1 3.68Å; V211-V245 VanDerWaalsContact O-CA 3.26Å; V211-V245 WeakPolarHBondContact O-CA 3.14Å; V211-W246 HydrophobicContact CB-CD2 3.87Å; V211-W246 HydrophobicContact CB-CE3 4.32Å; V211-W246 HydrophobicContact CB-CG 4.35Å; V211-W246 HydrophobicContact CB-CH2 4.31Å; V211-W246 HydrophobicContact CB-CZ2 3.83Å; V211-W246 HydrophobicContact CG1-CD2 4.22Å; V211-W246 HydrophobicContact CG1-CE3 4.38Å; V211-W246 HydrophobicContact CG1-CH2 3.58Å; V211-W246 HydrophobicContact CG1-CZ2 3.31Å; V211-W246 HydrophobicContact CG1-CZ3 4.09Å; V211-W246 HydrophobicContact CG2-CZ2 4.45Å; V211-W246 PolarHBondContact N-O 2.71Å; V211-W246 PolarHBondContact O-N 2.7Å; V211-E248 HydrophobicContact CG2-CG 3.65Å
212H98.1Very high96Very high13 Ų1353.2 Ų53.26%0.0626%0.259CS..EExtended strand (participates in β ladder)trans-124117.5170.6163.6-167.1000107.2G214 K215 R217 I237 D243 E244 V245H212-G214 PolarHBondContact O-N 2.76Å; H212-K215 PolarHBondContact N-O 2.88Å; H212-K215 PolarHBondContact O-N 3.42Å; H212-R217 HydrophobicContact CB-CG 3.66Å; H212-R217 PolarHBondContact CE1-NH2 2.76Å; H212-R217 PolarHBondContact ND1-NE 2.89Å; H212-R217 PolarHBondContact ND1-NH2 2.92Å; H212-I237 HydrophobicContact CB-CD1 4.49Å; H212-I237 WeakPolarHBondContact ND1-CG2 3.44Å; H212-D243 IonicContact CE1-OD2 2.71Å; H212-D243 IonicContact NE2-OD1 3.53Å; H212-D243 IonicContact NE2-OD2 2.75Å; H212-D243 PolarHBondContact NE2-OD2 2.81Å; H212-E244 WeakPolarHBondContact CA-O 3.33Å; H212-V245 HydrophobicContact CB-CG2 4.36Å
213N97.1Very high96Very high82 Ų8256.2 Ų56.244%0.43928%0.284SS..THydrogen-bonded Turntrans48.845.3-179.8-68.1-9.1000112.8K215 D243 E244N213-K215 VanDerWaalsContact C-N 3.26Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-D243 PolarHBondContact ND2-OD1 2.94Å; N213-E244 PolarHBondContact N-O 2.85Å; N213-E244 PolarHBondContact OD1-N 2.98Å; N213-E244 PolarHBondContact OD1-O 2.79Å
214G95.3Very high95.7Very high55 Ų5550.6 Ų50.657%0.56725%0.254SS*.THydrogen-bonded Turntrans78.2-1.1179.700000115.4V211 H212 W246V211-G214 VanDerWaalsContact CG1-C 3.48Å; V211-G214 VanDerWaalsContact CG1-CA 3.47Å; H212-G214 PolarHBondContact O-N 2.76Å; G214-W246 VanDerWaalsContact N-CH2 3.27Å
215K97.1Very high95.2Very high136 Ų13652.9 Ų52.959%0.59128%0.275SS*.EExtended strand (participates in β ladder)trans-106.6128.6176.3-171.7178.5-179.7178.70111.6V211 H212 N213 R217V211-K215 WeakPolarHBondContact CA-O 3.33Å; H212-K215 PolarHBondContact N-O 2.88Å; H212-K215 PolarHBondContact O-N 3.42Å; N213-K215 VanDerWaalsContact C-N 3.26Å; N213-K215 PolarHBondContact O-N 2.93Å; K215-R217 PolarHBondContact O-N 3.26Å
216Y96.9Very high94Very high82 Ų8251.5 Ų51.532%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-62.9126.2172.4-58.7-72.6000111.5L210 V211 K219 E248 F250L210-Y216 WeakPolarHBondContact O-CA 3.31Å; V211-Y216 HydrophobicContact CG2-CD1 3.71Å; V211-Y216 HydrophobicContact CG2-CE1 3.68Å; Y216-K219 HydrophobicContact CD1-CG 4.45Å; Y216-K219 VanDerWaalsContact CG-CE 3.41Å; Y216-K219 HydrophobicContact CG-CG 4.27Å; Y216-E248 HydrophobicContact CE1-CG 3.99Å; Y216-E248 WeakPolarHBondContact CE1-OE1 3.3Å; Y216-E248 PolarHBondContact OH-OE1 3.34Å; Y216-F250 HydrophobicContact CE1-CB 3.69Å; Y216-F250 HydrophobicContact CE1-CD1 4.24Å; Y216-F250 HydrophobicContact CE1-CG 4.15Å; Y216-F250 VanDerWaalsContact OH-CB 3.23Å; Y216-F250 WeakPolarHBondContact OH-CB 3.29Å
217R96.9Very high93.3Very high119 Ų11957.6 Ų57.645%0.44932%0.317SS..EExtended strand (participates in β ladder)trans-99.6-37.2171.5-59.6-61.1-176.7161.62111.3L210 H212 K215 I237L210-R217 HydrophobicContact CD2-CB 3.88Å; L210-R217 HydrophobicContact CD2-CG 4.25Å; L210-R217 PolarHBondContact O-N 2.87Å; H212-R217 HydrophobicContact CB-CG 3.66Å; H212-R217 PolarHBondContact CE1-NH2 2.76Å; H212-R217 PolarHBondContact ND1-NE 2.89Å; H212-R217 PolarHBondContact ND1-NH2 2.92Å; K215-R217 PolarHBondContact O-N 3.26Å; R217-I237 HydrophobicContact CB-CD1 4.25Å; R217-I237 HydrophobicContact CG-CD1 3.96Å
218I96Very high92.9Very high30 Ų3061.6 Ų61.615%0.15434%0.336CS..EExtended strand (participates in β ladder)trans-129143.2171.3-53.4162.1000108.4Y197 G209 L210 T235Y197-I218 HydrophobicContact CE1-CD1 4.02Å; Y197-I218 WeakPolarHBondContact OH-CG2 3.44Å; G209-I218 CarbonylContact C-O 2.93Å; G209-I218 WeakPolarHBondContact CA-O 3.32Å; L210-I218 HydrophobicContact CB-CB 4.15Å; L210-I218 HydrophobicContact CB-CD1 4.2Å; L210-I218 HydrophobicContact CB-CG1 4.43Å; L210-I218 HydrophobicContact CD1-CD1 4.36Å; L210-I218 PolarHBondContact N-O 3.19Å; L210-I218 PolarHBondContact O-N 2.94Å; I218-T235 HydrophobicContact CD1-CG2 3.45Å; I218-T235 VanDerWaalsContact CD1-CG2 3.45Å; I218-T235 HydrophobicContact CG1-CG2 3.89Å
219K96.4Very high92.7Very high106 Ų10664 Ų6446%0.46135%0.349SS..EExtended strand (participates in β ladder)trans-124.4115.9163.1-66.3-174.2176.2-1710107.8Y216 F221 F250Y216-K219 HydrophobicContact CD1-CG 4.45Å; Y216-K219 VanDerWaalsContact CG-CE 3.41Å; Y216-K219 HydrophobicContact CG-CG 4.27Å; K219-F221 HydrophobicContact CB-CE2 3.87Å; K219-F221 HydrophobicContact CB-CZ 4.48Å; K219-F250 HydrophobicContact CB-CE1 4Å; K219-F250 HydrophobicContact CB-CZ 3.97Å; K219-F250 HydrophobicContact CD-CE1 4.36Å; K219-F250 HydrophobicContact CD-CE2 4.21Å; K219-F250 HydrophobicContact CD-CZ 4.01Å; K219-F250 HydrophobicContact CG-CE1 4.01Å; K219-F250 HydrophobicContact CG-CZ 4.09Å
220T96.7Very high92.5Very high21 Ų2168.5 Ų68.513%0.12938%0.376CS..EExtended strand (participates in β ladder)trans-105.8129.1177-600000108.6Y197 A207 I208 A231Y197-T220 PolarHBondContact OH-OG1 2.75Å; A207-T220 WeakPolarHBondContact CA-O 3.26Å; I208-T220 PolarHBondContact N-O 2.85Å; I208-T220 PolarHBondContact O-N 2.95Å; T220-A231 HydrophobicContact CG2-CB 4.04Å
221F95.4Very high92.3Very high122 Ų12268.7 Ų68.754%0.53538%0.377SS..EExtended strand (participates in β ladder)trans-119.8133.4175.4-61.3-93.9000108.6L206 A207 K219 F250L206-F221 CarbonylContact O-C 3.59Å; L206-F221 VanDerWaalsContact O-CA 3.31Å; L206-F221 WeakPolarHBondContact O-CA 3.32Å; A207-F221 HydrophobicContact CB-CD1 3.92Å; A207-F221 HydrophobicContact CB-CE1 4.08Å; K219-F221 HydrophobicContact CB-CE2 3.87Å; K219-F221 HydrophobicContact CB-CZ 4.48Å; F221-F250 HydrophobicContact CD1-CZ 4.19Å; F221-F250 AromaticContact CE1-CE2 3.67Å; F221-F250 HydrophobicContact CE1-CE2 3.67Å; F221-F250 AromaticContact CE1-CZ 3.43Å; F221-F250 HydrophobicContact CE1-CZ 3.43Å; F221-F250 VanDerWaalsContact CE1-CZ 3.43Å; F221-F250 AromaticContact CE2-CZ 3.93Å; F221-F250 HydrophobicContact CE2-CZ 3.93Å; F221-F250 AromaticContact CZ-CE2 3.6Å; F221-F250 HydrophobicContact CZ-CE2 3.6Å; F221-F250 AromaticContact CZ-CZ 3.29Å; F221-F250 HydrophobicContact CZ-CZ 3.29Å
222D94.7Very high92.3Very high47 Ų4771.7 Ų71.725%0.25140%0.398SS..EExtended strand (participates in β ladder)trans-137.8132.6173-156.6-36.7000110.5L201 H205 L206 A231L201-D222 HydrophobicContact CD2-CB 3.76Å; H205-D222 WeakPolarHBondContact CA-O 3.39Å; L206-D222 HydrophobicContact CB-CB 4.33Å; L206-D222 PolarHBondContact N-O 3.13Å; L206-D222 PolarHBondContact O-N 2.81Å; D222-A231 HydrophobicContact CB-CB 3.87Å
223A91.8Very high92.2Very high62 Ų6271.7 Ų71.751%0.51240%0.402SS..  trans-99.9101-177.400000109.6T225A223-T225 PolarHBondContact O-N 3.26Å
224N86.5Confident92.3Very high16 Ų1670.9 Ų70.99%0.08640%0.402CS..  trans-58.1127.3173.9-164.7-25.5000112.8L201 A202 N203 K204 H205 G226L201-N224 HydrophobicContact CD1-CB 3.6Å; A202-N224 VanDerWaalsContact CA-ND2 3.32Å; A202-N224 WeakPolarHBondContact CA-ND2 3.41Å; N203-N224 PolarHBondContact N-ND2 2.98Å; K204-N224 VanDerWaalsContact O-CB 3.27Å; K204-N224 WeakPolarHBondContact O-CB 3.29Å; K204-N224 PolarHBondContact O-ND2 2.85Å; H205-N224 PolarHBondContact ND1-N 3.43Å; H205-N224 VanDerWaalsContact ND1-N 3.17Å; N224-G226 PolarHBondContact OD1-N 3.19Å
225T80.9Confident92.4Very high130 Ų13070.1 Ų70.180%0.79839%0.387SS*.  trans-103.65.4179.256.80000115A223A223-T225 PolarHBondContact O-N 3.26Å
226G70.6Confident92.4Very high60 Ų6067.5 Ų67.562%0.61938%0.382SS*.SBendtrans124-0.2166.500000116.6N224N224-G226 PolarHBondContact OD1-N 3.19Å
227N80.3Confident92.5Very high129 Ų12964.2 Ų64.269%0.6937%0.37SS*.SBendtrans-116.4-107.8174.1-69.8-18000109.2
228H88.4Confident92.5Very high83 Ų8363.1 Ų63.138%0.38437%0.367SS..EExtended strand (participates in β ladder)trans-146.4133.8177.7-62.1-75.4000106.9L201 A202 W263L201-H228 VanDerWaalsContact O-CA 3.26Å; L201-H228 WeakPolarHBondContact O-CA 3.47Å; A202-H228 VanDerWaalsContact CB-ND1 3.31Å; A202-H228 WeakPolarHBondContact CB-ND1 3.38Å; H228-W263 HydrophobicContact CB-CH2 4.27Å; H228-W263 AromaticContact CD2-CH2 3.42Å; H228-W263 VanDerWaalsContact CD2-CH2 3.42Å; H228-W263 WeakPolarHBondContact CD2-CH2 3.27Å; H228-W263 AromaticContact CE1-CH2 3.54Å; H228-W263 AromaticContact CE1-CZ2 3.73Å; H228-W263 AromaticContact CG-CH2 3.51Å; H228-W263 AromaticContact ND1-CH2 3.59Å; H228-W263 AromaticContact NE2-CH2 3.44Å; H228-W263 WeakPolarHBondContact NE2-CH2 3.16Å; H228-W263 AromaticContact NE2-CZ2 3.61Å
229D92.4Very high92.5Very high51 Ų5161.7 Ų61.727%0.27336%0.359SS..EExtended strand (participates in β ladder)trans-122.9169.1173.4-66.4-48.1000108.7L201L201-D229 HydrophobicContact CD1-CB 3.89Å; L201-D229 HydrophobicContact CD2-CB 3.7Å; L201-D229 WeakPolarHBondContact CD2-O 3.24Å; L201-D229 HydrophobicContact CG-CB 3.73Å; L201-D229 WeakPolarHBondContact CG-O 3.27Å; L201-D229 PolarHBondContact N-O 3.47Å; L201-D229 PolarHBondContact O-N 3.17Å
230V93.8Very high92.5Very high94 Ų9461 Ų6157%0.5736%0.358SS*.EExtended strand (participates in β ladder)trans-125.6122.4176.4178.90000108.6I199I199-V230 WeakPolarHBondContact O-CA 3.44Å
231A95.3Very high92.4Very high4 Ų462.9 Ų62.93%0.03337%0.37CS..EExtended strand (participates in β ladder)trans-110.5125.6176.500000109.7I199 L201 L206 T220 D222I199-A231 PolarHBondContact N-O 3.5Å; I199-A231 PolarHBondContact O-N 2.96Å; L201-A231 HydrophobicContact CD2-CB 3.88Å; L206-A231 HydrophobicContact CD2-CB 3.68Å; T220-A231 HydrophobicContact CG2-CB 4.04Å; D222-A231 HydrophobicContact CB-CB 3.87Å
232S97Very high92.4Very high63 Ų6364.9 Ų64.944%0.44138%0.381SS..EExtended strand (participates in β ladder)trans-120.5154.9178.7-53.40000111.4Y197 D198Y197-S232 WeakPolarHBondContact O-CA 3.29Å; Y197-S232 WeakPolarHBondContact O-CB 3.49Å; D198-S232 VanDerWaalsContact OD1-CB 3.26Å; D198-S232 WeakPolarHBondContact OD1-CB 3.49Å; D198-S232 PolarHBondContact OD1-OG 2.86Å
233G97.3Very high92.6Very high13 Ų1363.9 Ų63.913%0.13438%0.376CS..EExtended strand (participates in β ladder)trans-152.2145.3171.700000110.6S196 Y197S196-G233 CarbonylContact C-O 3.57Å; S196-G233 VanDerWaalsContact CA-O 3.29Å; S196-G233 WeakPolarHBondContact CA-O 3.42Å; Y197-G233 WeakPolarHBondContact CD1-O 3.39Å; Y197-G233 PolarHBondContact N-O 2.6Å; Y197-G233 PolarHBondContact O-N 2.96Å
234S97.9Very high92.9Very high65 Ų6563.8 Ų63.846%0.45537%0.365SS..EExtended strand (participates in β ladder)trans-147.2150.217665.80000112.3Y194 F195Y194-S234 WeakPolarHBondContact OH-CB 3.45Å; Y194-S234 PolarHBondContact OH-OG 3.44Å; F195-S234 CarbonylContact O-C 3.52Å; F195-S234 WeakPolarHBondContact O-CA 3.44Å; F195-S234 VanDerWaalsContact O-CB 3.3Å; F195-S234 WeakPolarHBondContact O-CB 3.31Å
235T98Very high93.4Very high39 Ų3963 Ų6324%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-156.7164.7177.9-167.40000110.8F195 L210 I218 I237F195-T235 PolarHBondContact N-O 3.05Å; F195-T235 PolarHBondContact O-N 3.09Å; L210-T235 HydrophobicContact CD1-CG2 4.45Å; L210-T235 HydrophobicContact CD2-CG2 4.29Å; I218-T235 HydrophobicContact CD1-CG2 3.45Å; I218-T235 VanDerWaalsContact CD1-CG2 3.45Å; I218-T235 HydrophobicContact CG1-CG2 3.89Å; T235-I237 HydrophobicContact CG2-CD1 3.82Å; T235-I237 HydrophobicContact CG2-CG1 3.8Å
236V98.1Very high94.3Very high82 Ų8257.8 Ų57.850%0.49733%0.326SS..EExtended strand (participates in β ladder)trans-112.5130.4174.8176.80000108.2I192 Y193 Y194 L273I192-V236 HydrophobicContact CG2-CG1 3.26Å; Y193-V236 CarbonylContact O-C 3.59Å; Y193-V236 VanDerWaalsContact O-CA 3.24Å; Y193-V236 WeakPolarHBondContact O-CA 3.49Å; Y194-V236 HydrophobicContact CD2-CG2 3.92Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG2-CD1 4.33Å
237I97.2Very high95.6Very high12 Ų1254.9 Ų54.96%0.06230%0.297CS..EExtended strand (participates in β ladder)trans-133.8132.2-176.4-50.9175.1000108.3Y193 F195 L210 H212 R217 T235 L239Y193-I237 PolarHBondContact N-O 3.22Å; Y193-I237 PolarHBondContact O-N 3.41Å; F195-I237 HydrophobicContact CD2-CD1 4.07Å; F195-I237 HydrophobicContact CD2-CG1 4.42Å; F195-I237 HydrophobicContact CE2-CD1 4.36Å; L210-I237 HydrophobicContact CD2-CD1 3.61Å; H212-I237 HydrophobicContact CB-CD1 4.49Å; H212-I237 WeakPolarHBondContact ND1-CG2 3.44Å; R217-I237 HydrophobicContact CB-CD1 4.25Å; R217-I237 HydrophobicContact CG-CD1 3.96Å; T235-I237 HydrophobicContact CG2-CD1 3.82Å; T235-I237 HydrophobicContact CG2-CG1 3.8Å; I237-L239 HydrophobicContact CB-CD2 4.28Å; I237-L239 HydrophobicContact CG2-CD2 3.56Å; I237-L239 HydrophobicContact CG2-CG 4.28Å
238Y97.1Very high96.4Very high97 Ų9749.8 Ų49.838%0.3827%0.269SS..EExtended strand (participates in β ladder)trans-80.4128.1164.4-179.4-81.6000109G191 I192 Q240 D276G191-Y238 CarbonylContact O-C 3.57Å; G191-Y238 WeakPolarHBondContact O-CA 3.45Å; I192-Y238 HydrophobicContact CG1-CD2 4.09Å; Y238-Q240 HydrophobicContact CE1-CG 4.15Å; Y238-Q240 VanDerWaalsContact CE1-NE2 3.33Å; Y238-Q240 PolarHBondContact OH-NE2 2.96Å; Y238-D276 PolarHBondContact OH-OD2 3.44Å
239L97.6Very high96.8Very high0 Ų045.9 Ų45.90%025%0.25CS..EExtended strand (participates in β ladder)trans-120.2141.5-178.2-60.4-178.7000110.8F185 C187 P190 G191 Y193 F195 I237 D243 V245F185-L239 HydrophobicContact CD1-CD1 4.23Å; F185-L239 HydrophobicContact CE1-CD1 3.73Å; C187-L239 HydrophobicContact CB-CB 3.94Å; C187-L239 HydrophobicContact CB-CD1 4.07Å; C187-L239 VanDerWaalsContact SG-CB 3.56Å; P190-L239 VanDerWaalsContact CA-O 3.3Å; P190-L239 WeakPolarHBondContact CA-O 3.36Å; G191-L239 PolarHBondContact N-O 3.49Å; G191-L239 PolarHBondContact O-N 2.75Å; Y193-L239 HydrophobicContact CD1-CD1 4.45Å; Y193-L239 HydrophobicContact CD2-CB 3.86Å; Y193-L239 HydrophobicContact CD2-CD1 3.66Å; Y193-L239 HydrophobicContact CD2-CG 3.84Å; Y193-L239 HydrophobicContact CE2-CB 4.02Å; Y193-L239 HydrophobicContact CE2-CD1 4.15Å; Y193-L239 HydrophobicContact CE2-CG 4.42Å; Y193-L239 HydrophobicContact CG-CD1 3.83Å; Y193-L239 HydrophobicContact CG-CG 4.36Å; F195-L239 HydrophobicContact CE2-CD1 3.84Å; F195-L239 HydrophobicContact CZ-CD1 3.73Å; I237-L239 HydrophobicContact CB-CD2 4.28Å; I237-L239 HydrophobicContact CG2-CD2 3.56Å; I237-L239 HydrophobicContact CG2-CG 4.28Å; L239-D243 WeakPolarHBondContact CA-OD2 3.26Å; L239-D243 HydrophobicContact CB-CB 4.28Å; L239-D243 HydrophobicContact CD2-CB 4.02Å; L239-V245 HydrophobicContact CD1-CG2 3.89Å; L239-V245 HydrophobicContact CD2-CG2 3.84Å
240Q96.4Very high96.9Very high92 Ų9244.8 Ų44.843%0.4324%0.243SC..  trans-94.8161.7166.2-69.9-67.2-10.400110.1C187 Y238 D243C187-Q240 VanDerWaalsContact CB-O 3.26Å; C187-Q240 WeakPolarHBondContact CB-O 3.32Å; Y238-Q240 HydrophobicContact CE1-CG 4.15Å; Y238-Q240 VanDerWaalsContact CE1-NE2 3.33Å; Y238-Q240 PolarHBondContact OH-NE2 2.96Å; Q240-D243 PolarHBondContact N-OD2 2.81Å; Q240-D243 VanDerWaalsContact O-CB 3.25Å; Q240-D243 WeakPolarHBondContact O-CB 3.37Å; Q240-D243 PolarHBondContact O-N 3.44Å; Q240-D243 VanDerWaalsContact O-N 3.14Å
241P94.7Very high96.7Very high59 Ų5946.4 Ų46.438%0.38324%0.24SC..THydrogen-bonded Turntrans-54.8144.2173.1-22.735.5000110.7C187 P190 D243C187-P241 CarbonylContact O-C 3.57Å; C187-P241 WeakPolarHBondContact O-CA 3.48Å; P190-P241 HydrophobicContact CB-CG 4.47Å; P190-P241 HydrophobicContact CG-CG 4.42Å; P241-D243 PolarHBondContact O-N 3.46Å
242E94.7Very high96.5Very high165 Ų16549.5 Ų49.577%0.77126%0.259SS*.THydrogen-bonded Turntrans71.4-4.8-176.5-47.9179165.400115.3C187 E244C187-E242 PolarHBondContact O-N 3.26Å; E242-E244 PolarHBondContact O-N 3.15Å
243D98.1Very high96.1Very high26 Ų2651.5 Ų51.514%0.13926%0.264CS..  trans-61.4132.9171.6-77.1-15.4000110.6C187 H212 N213 L239 Q240 P241C187-D243 HydrophobicContact CB-CB 4.28Å; C187-D243 PolarHBondContact N-O 3.48Å; H212-D243 IonicContact CE1-OD2 2.71Å; H212-D243 IonicContact NE2-OD1 3.53Å; H212-D243 IonicContact NE2-OD2 2.75Å; H212-D243 PolarHBondContact NE2-OD2 2.81Å; N213-D243 PolarHBondContact ND2-OD1 2.94Å; L239-D243 WeakPolarHBondContact CA-OD2 3.26Å; L239-D243 HydrophobicContact CB-CB 4.28Å; L239-D243 HydrophobicContact CD2-CB 4.02Å; Q240-D243 PolarHBondContact N-OD2 2.81Å; Q240-D243 VanDerWaalsContact O-CB 3.25Å; Q240-D243 WeakPolarHBondContact O-CB 3.37Å; Q240-D243 PolarHBondContact O-N 3.44Å; Q240-D243 VanDerWaalsContact O-N 3.14Å; P241-D243 PolarHBondContact O-N 3.46Å
244E98.2Very high95.8Very high59 Ų5953.1 Ų53.128%0.27627%0.269SS..EExtended strand (participates in β ladder)trans-103133.5-179-63-173.713900111.1K184 F185 H212 N213 E242 W246K184-E244 HydrophobicContact CD-CB 4.48Å; K184-E244 HydrophobicContact CD-CG 4.44Å; K184-E244 WeakPolarHBondContact CD-OE1 3.24Å; K184-E244 IonicContact NZ-OE1 4Å; K184-E244 PolarHBondContact NZ-OE1 2.88Å; K184-E244 IonicContact NZ-OE2 3.93Å; K184-E244 PolarHBondContact NZ-OE2 2.96Å; F185-E244 CarbonylContact O-C 3.53Å; F185-E244 WeakPolarHBondContact O-CA 3.43Å; H212-E244 WeakPolarHBondContact CA-O 3.33Å; N213-E244 PolarHBondContact N-O 2.85Å; N213-E244 PolarHBondContact OD1-N 2.98Å; N213-E244 PolarHBondContact OD1-O 2.79Å; E242-E244 PolarHBondContact O-N 3.15Å; E244-W246 HydrophobicContact CB-CE3 4.07Å; E244-W246 HydrophobicContact CB-CZ3 3.82Å
245V98.6Very high95.6Very high0 Ų050.4 Ų50.40%025%0.249CC..EExtended strand (participates in β ladder)trans-127.9130.8173.6-175.60000110.7F185 F195 L210 V211 H212 L239 F268F185-V245 HydrophobicContact CB-CB 4.42Å; F185-V245 HydrophobicContact CD1-CB 4.33Å; F185-V245 HydrophobicContact CD1-CG2 4.5Å; F185-V245 PolarHBondContact N-O 3.2Å; F185-V245 PolarHBondContact O-N 3.01Å; F195-V245 HydrophobicContact CD1-CG1 4.1Å; F195-V245 HydrophobicContact CD2-CG1 4.36Å; F195-V245 HydrophobicContact CE1-CB 4.11Å; F195-V245 HydrophobicContact CE1-CG1 3.9Å; F195-V245 HydrophobicContact CE2-CB 4.48Å; F195-V245 HydrophobicContact CE2-CG1 4.19Å; F195-V245 HydrophobicContact CE2-CG2 4.1Å; F195-V245 HydrophobicContact CG-CG1 4.33Å; F195-V245 HydrophobicContact CZ-CB 3.96Å; F195-V245 HydrophobicContact CZ-CG1 3.97Å; F195-V245 HydrophobicContact CZ-CG2 3.87Å; L210-V245 HydrophobicContact CD1-CG1 4.42Å; L210-V245 HydrophobicContact CD2-CG1 3.86Å; L210-V245 HydrophobicContact CG-CG1 4.13Å; V211-V245 VanDerWaalsContact O-CA 3.26Å; V211-V245 WeakPolarHBondContact O-CA 3.14Å; H212-V245 HydrophobicContact CB-CG2 4.36Å; L239-V245 HydrophobicContact CD1-CG2 3.89Å; L239-V245 HydrophobicContact CD2-CG2 3.84Å; V245-F268 HydrophobicContact CG1-CZ 4.39Å
246W98.6Very high95.5Very high20 Ų2048.6 Ų48.68%0.07624%0.238CC..EExtended strand (participates in β ladder)trans-150.9172.617869.495.1000112.4P164 K184 V211 G214 E244 E248P164-W246 HydrophobicContact CB-CB 4.35Å; P164-W246 HydrophobicContact CB-CG 4.05Å; P164-W246 HydrophobicContact CG-CG 4.26Å; K184-W246 HydrophobicContact CD-CE3 4.38Å; K184-W246 HydrophobicContact CG-CB 4.06Å; K184-W246 HydrophobicContact CG-CE3 4.49Å; K184-W246 HydrophobicContact CG-CG 4.44Å; V211-W246 HydrophobicContact CB-CD2 3.87Å; V211-W246 HydrophobicContact CB-CE3 4.32Å; V211-W246 HydrophobicContact CB-CG 4.35Å; V211-W246 HydrophobicContact CB-CH2 4.31Å; V211-W246 HydrophobicContact CB-CZ2 3.83Å; V211-W246 HydrophobicContact CG1-CD2 4.22Å; V211-W246 HydrophobicContact CG1-CE3 4.38Å; V211-W246 HydrophobicContact CG1-CH2 3.58Å; V211-W246 HydrophobicContact CG1-CZ2 3.31Å; V211-W246 HydrophobicContact CG1-CZ3 4.09Å; V211-W246 HydrophobicContact CG2-CZ2 4.45Å; V211-W246 PolarHBondContact N-O 2.71Å; V211-W246 PolarHBondContact O-N 2.7Å; G214-W246 VanDerWaalsContact N-CH2 3.27Å; E244-W246 HydrophobicContact CB-CE3 4.07Å; E244-W246 HydrophobicContact CB-CZ3 3.82Å; W246-E248 PolarHBondContact NE1-OE2 2.79Å
247L98.4Very high95.4Very high0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-107.4142.4169.3-61.6176.9000110.5I165 F167 Y197 I208 G209 L210 F268I165-L247 WeakPolarHBondContact CB-O 3.39Å; I165-L247 HydrophobicContact CD1-CB 4.11Å; I165-L247 PolarHBondContact N-O 3.25Å; F167-L247 HydrophobicContact CE2-CB 4.18Å; F167-L247 HydrophobicContact CE2-CD1 3.77Å; F167-L247 HydrophobicContact CE2-CG 4.41Å; F167-L247 HydrophobicContact CZ-CD1 3.7Å; Y197-L247 HydrophobicContact CD1-CD1 4.16Å; Y197-L247 HydrophobicContact CD1-CD2 3.55Å; Y197-L247 HydrophobicContact CD1-CG 4.49Å; Y197-L247 HydrophobicContact CE1-CD2 3.77Å; Y197-L247 HydrophobicContact CG-CD1 3.91Å; Y197-L247 HydrophobicContact CG-CD2 4.05Å; I208-L247 HydrophobicContact CD1-CB 4.06Å; I208-L247 HydrophobicContact CD1-CD1 4Å; I208-L247 HydrophobicContact CD1-CG 4.45Å; I208-L247 HydrophobicContact CG1-CB 4.29Å; G209-L247 VanDerWaalsContact O-CA 3.31Å; G209-L247 WeakPolarHBondContact O-CA 3.21Å; L210-L247 HydrophobicContact CB-CD2 3.79Å; L210-L247 HydrophobicContact CD1-CD2 4.26Å; L210-L247 HydrophobicContact CG-CD2 4.14Å; L247-F268 HydrophobicContact CD1-CB 3.79Å; L247-F268 HydrophobicContact CD1-CD1 4.26Å; L247-F268 HydrophobicContact CD1-CD2 3.75Å; L247-F268 HydrophobicContact CD1-CE2 4.41Å; L247-F268 HydrophobicContact CD1-CG 3.67Å; L247-F268 HydrophobicContact CD2-CE2 4.45Å; L247-F268 HydrophobicContact CG-CD1 4.3Å; L247-F268 HydrophobicContact CG-CD2 4.05Å; L247-F268 HydrophobicContact CG-CE1 4.46Å; L247-F268 HydrophobicContact CG-CE2 4.22Å; L247-F268 HydrophobicContact CG-CG 4.1Å; L247-F268 HydrophobicContact CG-CZ 4.42Å
248E97.2Very high95.3Very high22 Ų2245.4 Ų45.410%0.10322%0.217CC..EExtended strand (participates in β ladder)trans-142.8150.7173.770.6-175.9-151.600112L163 I208 G209 V211 Y216 W246 F250L163-E248 WeakPolarHBondContact O-CB 3.39Å; I208-E248 WeakPolarHBondContact CA-O 3.15Å; G209-E248 PolarHBondContact N-O 2.88Å; G209-E248 PolarHBondContact O-N 3.13Å; V211-E248 HydrophobicContact CG2-CG 3.65Å; Y216-E248 HydrophobicContact CE1-CG 3.99Å; Y216-E248 WeakPolarHBondContact CE1-OE1 3.3Å; Y216-E248 PolarHBondContact OH-OE1 3.34Å; W246-E248 PolarHBondContact NE1-OE2 2.79Å; E248-F250 PolarHBondContact O-N 2.89Å
249I96.9Very high95.2Very high0 Ų041.3 Ų41.30%020%0.202CC..EExtended strand (participates in β ladder)trans-82.7106.9167-54.5-57000107.8E161 R162 I165 L206 A207 I208 N255E161-I249 HydrophobicContact CG-CB 4.38Å; E161-I249 HydrophobicContact CG-CG2 4.05Å; R162-I249 WeakPolarHBondContact CA-O 3.41Å; R162-I249 PolarHBondContact N-O 2.92Å; I165-I249 HydrophobicContact CD1-CD1 3.91Å; I165-I249 HydrophobicContact CD1-CG1 3.96Å; I165-I249 HydrophobicContact CG1-CG1 4.46Å; L206-I249 HydrophobicContact CD1-CD1 3.86Å; A207-I249 WeakPolarHBondContact O-CA 3.13Å; I208-I249 HydrophobicContact CB-CD1 4.01Å; I208-I249 HydrophobicContact CD1-CD1 4.45Å; I208-I249 HydrophobicContact CG1-CD1 4.1Å; I249-N255 HydrophobicContact CG2-CB 4.13Å
250F93.4Very high95Very high28 Ų2843.3 Ų43.312%0.12321%0.213CC..  trans-91.7-13.9-171.964.4-94.7000114A207 Y216 K219 F221 E248A207-F250 HydrophobicContact CB-CE1 4.09Å; A207-F250 HydrophobicContact CB-CE2 4.18Å; A207-F250 HydrophobicContact CB-CZ 3.82Å; A207-F250 PolarHBondContact O-N 2.94Å; Y216-F250 HydrophobicContact CE1-CB 3.69Å; Y216-F250 HydrophobicContact CE1-CD1 4.24Å; Y216-F250 HydrophobicContact CE1-CG 4.15Å; Y216-F250 VanDerWaalsContact OH-CB 3.23Å; Y216-F250 WeakPolarHBondContact OH-CB 3.29Å; K219-F250 HydrophobicContact CB-CE1 4Å; K219-F250 HydrophobicContact CB-CZ 3.97Å; K219-F250 HydrophobicContact CD-CE1 4.36Å; K219-F250 HydrophobicContact CD-CE2 4.21Å; K219-F250 HydrophobicContact CD-CZ 4.01Å; K219-F250 HydrophobicContact CG-CE1 4.01Å; K219-F250 HydrophobicContact CG-CZ 4.09Å; F221-F250 HydrophobicContact CD1-CZ 4.19Å; F221-F250 AromaticContact CE1-CE2 3.67Å; F221-F250 HydrophobicContact CE1-CE2 3.67Å; F221-F250 AromaticContact CE1-CZ 3.43Å; F221-F250 HydrophobicContact CE1-CZ 3.43Å; F221-F250 VanDerWaalsContact CE1-CZ 3.43Å; F221-F250 AromaticContact CE2-CZ 3.93Å; F221-F250 HydrophobicContact CE2-CZ 3.93Å; F221-F250 AromaticContact CZ-CE2 3.6Å; F221-F250 HydrophobicContact CZ-CE2 3.6Å; F221-F250 AromaticContact CZ-CZ 3.29Å; F221-F250 HydrophobicContact CZ-CZ 3.29Å; E248-F250 PolarHBondContact O-N 2.89Å
251Y90.7Very high94.7Very high128 Ų12844.7 Ų44.750%0.50223%0.23SC..SBendtrans-113.4135.9-177.4-155.6-84.5000110.9Q254Y251-Q254 HydrophobicContact CD1-CB 4.24Å; Y251-Q254 HydrophobicContact CD1-CG 3.72Å; Y251-Q254 HydrophobicContact CE1-CG 4.4Å; Y251-Q254 HydrophobicContact CG-CG 4.49Å; Y251-Q254 PolarHBondContact O-N 2.95Å
252T89.6Confident94.5Very high70 Ų7047.7 Ų47.743%0.42925%0.248SC..THydrogen-bonded Turntrans-71.5135.6-176.3-62.20000111.3E161 R162 Q254E161-T252 VanDerWaalsContact OE2-CA 3.27Å; E161-T252 WeakPolarHBondContact OE2-CA 3.22Å; R162-T252 PolarHBondContact NH2-OG1 2.83Å; T252-Q254 PolarHBondContact O-N 3.06Å
253D88.5Confident94.3Very high104 Ų10446.7 Ų46.756%0.55624%0.237SC*.THydrogen-bonded Turntrans62.916.4-178.7-158.831.7000114.7E161 K204E161-D253 WeakPolarHBondContact OE1-CA 3.18Å; E161-D253 PolarHBondContact OE1-N 3.31Å; E161-D253 VanDerWaalsContact OE1-N 3.08Å; E161-D253 PolarHBondContact OE2-N 3.14Å; E161-D253 VanDerWaalsContact OE2-N 3.16Å; K204-D253 IonicContact NZ-OD1 2.68Å; K204-D253 PolarHBondContact NZ-OD1 2.99Å
254Q91.7Very high94.1Very high47 Ų4745.7 Ų45.722%0.2223%0.232CC..  trans-114.548.2170.4-65.8-169.40.400111H205 L206 A207 Y251 T252H205-Q254 HydrophobicContact CB-CG 4.22Å; H205-Q254 CarbonylContact O-C 3.57Å; H205-Q254 VanDerWaalsContact O-CA 3.22Å; H205-Q254 WeakPolarHBondContact O-CA 3.42Å; H205-Q254 VanDerWaalsContact O-O 3.1Å; L206-Q254 CarbonylContact C-O 3.55Å; L206-Q254 WeakPolarHBondContact CA-O 3.49Å; A207-Q254 HydrophobicContact CB-CB 3.77Å; A207-Q254 VanDerWaalsContact CB-OE1 3.31Å; A207-Q254 PolarHBondContact N-O 3.29Å; Y251-Q254 HydrophobicContact CD1-CB 4.24Å; Y251-Q254 HydrophobicContact CD1-CG 3.72Å; Y251-Q254 HydrophobicContact CE1-CG 4.4Å; Y251-Q254 HydrophobicContact CG-CG 4.49Å; Y251-Q254 PolarHBondContact O-N 2.95Å; T252-Q254 PolarHBondContact O-N 3.06Å
255N94.3Very high93.9Very high9 Ų946.3 Ų46.35%0.04824%0.237CC..  trans-102.879.7174.3-1748.3000109.7Y158 P159 E161 H205 I249 L257Y158-N255 VanDerWaalsContact C-ND2 3.27Å; Y158-N255 WeakPolarHBondContact CA-ND2 3.4Å; Y158-N255 WeakPolarHBondContact CD1-O 3.39Å; P159-N255 PolarHBondContact O-ND2 2.58Å; E161-N255 HydrophobicContact CG-CB 3.99Å; E161-N255 WeakPolarHBondContact OE1-CB 3.33Å; H205-N255 PolarHBondContact O-N 2.75Å; I249-N255 HydrophobicContact CG2-CB 4.13Å; N255-L257 VanDerWaalsContact C-N 3.34Å
256G94.9Very high93.8Very high0 Ų046.3 Ų46.30%024%0.237CC..  trans-87.4-1.8175.100000113.9L201 A202 K204 H205 F258L201-G256 CarbonylContact C-O 3.57Å; L201-G256 WeakPolarHBondContact CA-O 3.4Å; A202-G256 PolarHBondContact N-O 3.12Å; K204-G256 WeakPolarHBondContact O-CA 3.16Å; H205-G256 WeakPolarHBondContact O-CA 3.26Å; H205-G256 PolarHBondContact O-N 2.88Å; G256-F258 PolarHBondContact O-N 3.09Å
257L96.3Very high93.8Very high0 Ų047.4 Ų47.40%024%0.244CC..BIsolated β-bridgetrans-61.5123.7-170.9-176160000110.8I154 Y158 P159 I165 I199 L206 I208 N255I154-L257 HydrophobicContact CD1-CD2 4Å; I154-L257 HydrophobicContact CG2-CD2 3.8Å; Y158-L257 PolarHBondContact N-O 2.91Å; P159-L257 HydrophobicContact CG-CD1 4.17Å; P159-L257 HydrophobicContact CG-CD2 4.27Å; I165-L257 HydrophobicContact CD1-CD1 4.01Å; I165-L257 HydrophobicContact CG2-CD1 4.34Å; I199-L257 HydrophobicContact CD1-CD1 4.22Å; I199-L257 HydrophobicContact CG2-CB 4.14Å; I199-L257 HydrophobicContact CG2-CD1 4.05Å; I199-L257 HydrophobicContact CG2-CG 3.74Å; L206-L257 HydrophobicContact CD1-CB 4.02Å; I208-L257 HydrophobicContact CD1-CD1 4.34Å; N255-L257 VanDerWaalsContact C-N 3.34Å
258F95.4Very high93.8Very high28 Ų2847.4 Ų47.412%0.12324%0.244CC..  trans-126.5144.2-171.9-175.4-103.1000111.6S157 T200 A202 G256 D260 W263 A264 S266S157-F258 WeakPolarHBondContact OG-CD2 3.44Å; T200-F258 HydrophobicContact CG2-CD1 4.12Å; T200-F258 PolarHBondContact O-N 3.09Å; A202-F258 HydrophobicContact CB-CB 3.6Å; A202-F258 HydrophobicContact CB-CD1 4.04Å; A202-F258 HydrophobicContact CB-CD2 3.65Å; A202-F258 HydrophobicContact CB-CE2 4.34Å; A202-F258 HydrophobicContact CB-CG 3.47Å; A202-F258 VanDerWaalsContact CB-CG 3.47Å; G256-F258 PolarHBondContact O-N 3.09Å; F258-D260 HydrophobicContact CE1-CB 3.77Å; F258-D260 HydrophobicContact CZ-CB 3.93Å; F258-W263 HydrophobicContact CE1-CH2 4.06Å; F258-W263 AromaticContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CZ-CZ2 4.3Å; F258-A264 HydrophobicContact CD1-CB 3.97Å; F258-A264 HydrophobicContact CE1-CB 3.92Å; F258-S266 PolarHBondContact O-OG 2.84Å
259S94.6Very high93.9Very high10 Ų1047.3 Ų47.37%0.0725%0.246CC..  trans-145.8135.7170.31740000109.6I154 S157 A264I154-S259 PolarHBondContact O-OG 3.31Å; S157-S259 PolarHBondContact OG-N 2.83Å; S157-S259 PolarHBondContact OG-O 2.87Å; S259-A264 WeakPolarHBondContact CA-O 3.11Å; S259-A264 PolarHBondContact OG-O 2.65Å
260D93.2Very high93.9Very high43 Ų4347.3 Ų47.323%0.2325%0.246CC..BIsolated β-bridgetrans-130126.7173.6-174-74.7000109.1F258 T262 W263 A264F258-D260 HydrophobicContact CE1-CB 3.77Å; F258-D260 HydrophobicContact CZ-CB 3.93Å; D260-T262 PolarHBondContact O-N 2.9Å; D260-T262 WeakPolarHBondContact OD1-CA 3.46Å; D260-T262 WeakPolarHBondContact OD1-CB 3.18Å; D260-T262 PolarHBondContact OD1-N 2.71Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å; D260-W263 PolarHBondContact O-N 3.05Å; D260-A264 HydrophobicContact CB-CB 4Å; D260-A264 PolarHBondContact N-O 3.3Å; D260-A264 CarbonylContact O-C 3.54Å; D260-A264 PolarHBondContact O-N 2.86Å; D260-A264 VanDerWaalsContact O-N 3.13Å
261P90.7Very high94.2Very high121 Ų12150 Ų5079%0.78626%0.258SS*.THydrogen-bonded Turntrans-58.3-17.5-177.9-25.333.8000115.5
262T91Very high94.4Very high122 Ų12245.2 Ų45.275%0.74824%0.241SC*.THydrogen-bonded Turntrans-100-31.6-173.465.80000113.7D260D260-T262 PolarHBondContact O-N 2.9Å; D260-T262 WeakPolarHBondContact OD1-CA 3.46Å; D260-T262 WeakPolarHBondContact OD1-CB 3.18Å; D260-T262 PolarHBondContact OD1-N 2.71Å; D260-T262 PolarHBondContact OD1-OG1 2.82Å
263W91Very high94.6Very high144 Ų14445.3 Ų45.355%0.54524%0.238SC..THydrogen-bonded Turntrans-147-8-171.871.6-90.3000116.3H228 F258 D260H228-W263 HydrophobicContact CB-CH2 4.27Å; H228-W263 AromaticContact CD2-CH2 3.42Å; H228-W263 VanDerWaalsContact CD2-CH2 3.42Å; H228-W263 WeakPolarHBondContact CD2-CH2 3.27Å; H228-W263 AromaticContact CE1-CH2 3.54Å; H228-W263 AromaticContact CE1-CZ2 3.73Å; H228-W263 AromaticContact CG-CH2 3.51Å; H228-W263 AromaticContact ND1-CH2 3.59Å; H228-W263 AromaticContact NE2-CH2 3.44Å; H228-W263 WeakPolarHBondContact NE2-CH2 3.16Å; H228-W263 AromaticContact NE2-CZ2 3.61Å; F258-W263 HydrophobicContact CE1-CH2 4.06Å; F258-W263 AromaticContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CE1-CZ2 3.62Å; F258-W263 HydrophobicContact CZ-CZ2 4.3Å; D260-W263 PolarHBondContact O-N 3.05Å
264A92.6Very high94.7Very high4 Ų447 Ų473%0.03324%0.238CC..BIsolated β-bridgetrans-135.3116.2-174.900000113T200 F258 S259 D260T200-A264 HydrophobicContact CG2-CB 4.1Å; F258-A264 HydrophobicContact CD1-CB 3.97Å; F258-A264 HydrophobicContact CE1-CB 3.92Å; S259-A264 WeakPolarHBondContact CA-O 3.11Å; S259-A264 PolarHBondContact OG-O 2.65Å; D260-A264 HydrophobicContact CB-CB 4Å; D260-A264 PolarHBondContact N-O 3.3Å; D260-A264 CarbonylContact O-C 3.54Å; D260-A264 PolarHBondContact O-N 2.86Å; D260-A264 VanDerWaalsContact O-N 3.13Å
265D94.2Very high94.7Very high73 Ų7346.2 Ų46.239%0.3924%0.236SC..  trans-105.9147.7170.9-79.5-55.9000110.6K169 T200 L267K169-D265 IonicContact NZ-OD1 2.8Å; K169-D265 PolarHBondContact NZ-OD1 3.41Å; K169-D265 IonicContact NZ-OD2 3Å; T200-D265 PolarHBondContact OG1-O 2.82Å; D265-L267 HydrophobicContact CB-CD2 4.15Å; D265-L267 HydrophobicContact CB-CG 4.31Å
266S97.3Very high94.4Very high0 Ų047.4 Ų47.40%024%0.243CC..  trans-122.8122.7164.8-75.10000107.4G153 I154 D198 T200 F258G153-S266 WeakPolarHBondContact CA-O 3.26Å; I154-S266 PolarHBondContact N-O 3.16Å; D198-S266 CarbonylContact O-C 3.49Å; D198-S266 WeakPolarHBondContact O-CA 3.35Å; T200-S266 PolarHBondContact N-OG 3.21Å; T200-S266 PolarHBondContact O-OG 2.91Å; F258-S266 PolarHBondContact O-OG 2.84Å
267L97.9Very high93.8Very high42 Ų4251.4 Ų51.422%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-120.7148.2-166.1-58.7179.7000112V152 L171 Y197 D198 D265V152-L267 CarbonylContact O-C 3.57Å; V152-L267 WeakPolarHBondContact O-CA 3.29Å; L171-L267 HydrophobicContact CD1-CD2 3.96Å; Y197-L267 WeakPolarHBondContact CA-O 2.95Å; Y197-L267 WeakPolarHBondContact CB-O 3.25Å; D198-L267 PolarHBondContact N-O 3.12Å; D198-L267 PolarHBondContact O-N 2.86Å; D265-L267 HydrophobicContact CB-CD2 4.15Å; D265-L267 HydrophobicContact CB-CG 4.31Å
268F98.6Very high93.2Very high0 Ų057.1 Ų57.10%030%0.298CS..EExtended strand (participates in β ladder)trans-133128.6168.6176.1-140.2000108.8F150 V152 F167 Y178 F195 L210 V245 L247F150-F268 AromaticContact CE2-CD1 3.64Å; F150-F268 HydrophobicContact CE2-CD1 3.64Å; F150-F268 AromaticContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CE1 3.65Å; F150-F268 HydrophobicContact CE2-CG 4.09Å; F150-F268 HydrophobicContact CE2-CZ 4.11Å; F150-F268 HydrophobicContact CZ-CD1 4.07Å; F150-F268 AromaticContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE1 3.61Å; F150-F268 HydrophobicContact CZ-CE2 4.17Å; F150-F268 AromaticContact CZ-CZ 3.66Å; F150-F268 HydrophobicContact CZ-CZ 3.66Å; V152-F268 HydrophobicContact CG2-CB 4.11Å; V152-F268 HydrophobicContact CG2-CD1 4.36Å; V152-F268 VanDerWaalsContact CG2-O 3.28Å; V152-F268 WeakPolarHBondContact CG2-O 3.34Å; V152-F268 PolarHBondContact N-O 2.96Å; V152-F268 PolarHBondContact O-N 2.77Å; F167-F268 HydrophobicContact CD1-CB 4.17Å; F167-F268 HydrophobicContact CD2-CB 4.07Å; F167-F268 HydrophobicContact CD2-CD1 4.33Å; F167-F268 HydrophobicContact CE1-CB 4.06Å; F167-F268 HydrophobicContact CE2-CB 3.95Å; F167-F268 HydrophobicContact CE2-CD1 4.44Å; F167-F268 HydrophobicContact CG-CB 4.21Å; F167-F268 HydrophobicContact CZ-CB 3.96Å; Y178-F268 HydrophobicContact CE2-CD1 4.26Å; Y178-F268 HydrophobicContact CE2-CE1 4.38Å; F195-F268 HydrophobicContact CB-CE2 4.35Å; F195-F268 AromaticContact CD1-CE2 3.93Å; F195-F268 HydrophobicContact CD1-CE2 3.93Å; F195-F268 AromaticContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CD1-CZ 3.92Å; F195-F268 HydrophobicContact CE1-CZ 4.44Å; L210-F268 HydrophobicContact CD1-CE2 4.24Å; V245-F268 HydrophobicContact CG1-CZ 4.39Å; L247-F268 HydrophobicContact CD1-CB 3.79Å; L247-F268 HydrophobicContact CD1-CD1 4.26Å; L247-F268 HydrophobicContact CD1-CD2 3.75Å; L247-F268 HydrophobicContact CD1-CE2 4.41Å; L247-F268 HydrophobicContact CD1-CG 3.67Å; L247-F268 HydrophobicContact CD2-CE2 4.45Å; L247-F268 HydrophobicContact CG-CD1 4.3Å; L247-F268 HydrophobicContact CG-CD2 4.05Å; L247-F268 HydrophobicContact CG-CE1 4.46Å; L247-F268 HydrophobicContact CG-CE2 4.22Å; L247-F268 HydrophobicContact CG-CG 4.1Å; L247-F268 HydrophobicContact CG-CZ 4.42Å
269S98.7Very high92.4Very high21 Ų2159.4 Ų59.415%0.14731%0.306CS..EExtended strand (participates in β ladder)trans-136.1150.4-176.8-54.30000110.6F150 S151 F195 S196F150-S269 WeakPolarHBondContact O-CA 3.23Å; S151-S269 WeakPolarHBondContact CB-OG 3.29Å; S151-S269 PolarHBondContact OG-OG 3.26Å; F195-S269 WeakPolarHBondContact CA-O 3.3Å; S196-S269 PolarHBondContact N-O 2.62Å; S196-S269 PolarHBondContact O-N 3.18Å; S196-S269 VanDerWaalsContact O-O 3.06Å
270G98.4Very high91.6Very high0 Ų061.9 Ų61.90%032%0.318CS..EExtended strand (participates in β ladder)trans-158.4147.9172.900000111.9A149 F150 Y194A149-G270 CarbonylContact C-O 3.56Å; A149-G270 VanDerWaalsContact CA-O 3.29Å; A149-G270 WeakPolarHBondContact CA-O 3.5Å; F150-G270 WeakPolarHBondContact CD1-O 3.4Å; F150-G270 PolarHBondContact N-O 2.82Å; F150-G270 PolarHBondContact O-N 2.86Å; Y194-G270 CarbonylContact O-C 3.24Å; Y194-G270 WeakPolarHBondContact O-CA 3.49Å
271F98.1Very high90.9Very high85 Ų8562.6 Ų62.637%0.37332%0.322SS..EExtended strand (participates in β ladder)trans-152.9152.2179.158.4-88.2000112.6S148 A149 Y193 Y194 L273S148-F271 CarbonylContact O-C 3.58Å; S148-F271 WeakPolarHBondContact O-CA 3.41Å; A149-F271 HydrophobicContact CB-CB 3.6Å; Y193-F271 WeakPolarHBondContact CA-O 3.41Å; Y194-F271 HydrophobicContact CD1-CD1 4.23Å; Y194-F271 AromaticContact CD1-CE1 3.42Å; Y194-F271 HydrophobicContact CD1-CE1 3.42Å; Y194-F271 VanDerWaalsContact CD1-CE1 3.42Å; Y194-F271 AromaticContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CD1-CZ 3.65Å; Y194-F271 HydrophobicContact CE1-CE1 4.13Å; Y194-F271 HydrophobicContact CE1-CZ 4.42Å; Y194-F271 HydrophobicContact CG-CE1 4.25Å; Y194-F271 HydrophobicContact CG-CZ 4.11Å; Y194-F271 PolarHBondContact N-O 3.29Å; Y194-F271 PolarHBondContact O-N 3.35Å; F271-L273 HydrophobicContact CD2-CD2 4.14Å; F271-L273 HydrophobicContact CE2-CD2 3.49Å; F271-L273 VanDerWaalsContact CE2-CD2 3.49Å; F271-L273 HydrophobicContact CE2-CG 4.27Å; F271-L273 HydrophobicContact CZ-CD2 4.38Å
272L96.6Very high90.2Very high26 Ų2659.3 Ų59.314%0.13631%0.305CS..EExtended strand (participates in β ladder)trans-71123.4174.3-179.762000110S148 I189 Y193 Y274 V275S148-L272 PolarHBondContact O-N 2.05Å; I189-L272 HydrophobicContact CB-CD2 4.34Å; I189-L272 HydrophobicContact CG2-CD2 3.79Å; Y193-L272 HydrophobicContact CD1-CB 4.17Å; Y193-L272 HydrophobicContact CD2-CD1 4.1Å; Y193-L272 HydrophobicContact CE1-CB 3.72Å; Y193-L272 HydrophobicContact CE1-CD1 4.13Å; Y193-L272 HydrophobicContact CE1-CG 4.48Å; Y193-L272 HydrophobicContact CE2-CD1 3.65Å; L272-Y274 WeakPolarHBondContact CD1-O 3.21Å; L272-V275 HydrophobicContact CD2-CG2 3.67Å; L272-V275 HydrophobicContact CG-CG2 4.45Å
273L93.6Very high89.4Confident72 Ų7255.4 Ų55.438%0.37728%0.279SS..EExtended strand (participates in β ladder)trans-88.3-52173-71.5173.5000111.1I192 V236 F271I192-L273 HydrophobicContact CG2-CB 4.44Å; I192-L273 HydrophobicContact CG2-CD1 4.21Å; I192-L273 WeakPolarHBondContact O-CB 3.45Å; I192-L273 PolarHBondContact O-N 3.01Å; V236-L273 HydrophobicContact CG1-CD1 4.45Å; V236-L273 HydrophobicContact CG2-CD1 4.33Å; F271-L273 HydrophobicContact CD2-CD2 4.14Å; F271-L273 HydrophobicContact CE2-CD2 3.49Å; F271-L273 VanDerWaalsContact CE2-CD2 3.49Å; F271-L273 HydrophobicContact CE2-CG 4.27Å; F271-L273 HydrophobicContact CZ-CD2 4.38Å
274Y90.6Very high88.4Confident139 Ų13949.6 Ų49.655%0.54526%0.261SS..EExtended strand (participates in β ladder)trans-139.8124-176-59.9-69.5000109.3I33 G191 I192 L272I33-Y274 HydrophobicContact CD1-CD1 4.46Å; G191-Y274 CarbonylContact C-O 3.54Å; G191-Y274 VanDerWaalsContact CA-O 3.26Å; G191-Y274 WeakPolarHBondContact CA-O 3.27Å; I192-Y274 HydrophobicContact CB-CD2 4.48Å; I192-Y274 HydrophobicContact CD1-CD2 4.26Å; I192-Y274 PolarHBondContact N-O 2.87Å; I192-Y274 PolarHBondContact O-N 2.9Å; L272-Y274 WeakPolarHBondContact CD1-O 3.21Å
275V90.1Very high87.2Confident32 Ų3254.5 Ų54.519%0.19429%0.286CS..EExtended strand (participates in β ladder)trans-69.8146.4171.1-1690000108.6L146 I189 L272 T277 Y279 L280L146-V275 HydrophobicContact CB-CG2 4.01Å; L146-V275 HydrophobicContact CD1-CG1 3.73Å; L146-V275 HydrophobicContact CD1-CG2 4.09Å; I189-V275 HydrophobicContact CG2-CG1 3.83Å; I189-V275 HydrophobicContact CG2-CG2 4.48Å; L272-V275 HydrophobicContact CD2-CG2 3.67Å; L272-V275 HydrophobicContact CG-CG2 4.45Å; V275-T277 PolarHBondContact O-N 3.24Å; V275-Y279 HydrophobicContact CG1-CD1 3.9Å; V275-L280 HydrophobicContact CB-CD1 3.85Å; V275-L280 HydrophobicContact CB-CD2 4.23Å; V275-L280 HydrophobicContact CB-CG 3.88Å; V275-L280 HydrophobicContact CG1-CD1 4.19Å; V275-L280 HydrophobicContact CG1-CD2 3.94Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD1 4.44Å; V275-L280 HydrophobicContact CG2-CD2 4.35Å
276D88.9Confident85.5Confident33 Ų3357.6 Ų57.618%0.17630%0.299CS..  trans-58.5131.9167.3-166.6-74.7000111.4P190 Y238 D278 Y279 L280P190-D276 HydrophobicContact CB-CB 3.97Å; P190-D276 HydrophobicContact CG-CB 4.11Å; P190-D276 PolarHBondContact O-N 3.41Å; Y238-D276 PolarHBondContact OH-OD2 3.44Å; D276-D278 WeakPolarHBondContact OD1-CB 3.31Å; D276-D278 PolarHBondContact OD1-N 3.37Å; D276-Y279 PolarHBondContact O-N 3.46Å; D276-Y279 PolarHBondContact OD1-N 3.42Å; D276-L280 PolarHBondContact O-N 3.43Å; D276-L280 VanDerWaalsContact O-N 3.15Å
277T82.8Confident83.7Confident84 Ų8462.3 Ų62.352%0.51532%0.324SS..Hα-helixtrans-68.9-36.2-174.846.70000112.5V275 Y279 L280 D281V275-T277 PolarHBondContact O-N 3.24Å; T277-Y279 VanDerWaalsContact C-N 3.27Å; T277-Y279 PolarHBondContact O-N 3.32Å; T277-L280 PolarHBondContact O-N 3.46Å; T277-D281 WeakPolarHBondContact O-CB 3.38Å; T277-D281 VanDerWaalsContact O-CG 3.32Å; T277-D281 PolarHBondContact O-N 3.43Å
278D82.1Confident81.6Confident120 Ų12066.9 Ų66.964%0.64234%0.344SS*.Hα-helixtrans-69.2-35.2-177.6-60.3-11.7000109.7D276 D281 A282D276-D278 WeakPolarHBondContact OD1-CB 3.31Å; D276-D278 PolarHBondContact OD1-N 3.37Å; D278-D281 PolarHBondContact O-N 3.41Å; D278-A282 PolarHBondContact O-N 3.47Å; D278-A282 VanDerWaalsContact O-N 3.09Å
279Y79.7Confident79.1Confident77 Ų7777 Ų7730%0.30240%0.397SS..Hα-helixtrans-66.4-42.6173.1-176.2-103.4000112.9L146 I189 P190 V275 D276 T277 D281 L283L146-Y279 HydrophobicContact CD1-CD1 4Å; L146-Y279 HydrophobicContact CD1-CE1 3.69Å; I189-Y279 HydrophobicContact CG2-CD1 4.35Å; I189-Y279 HydrophobicContact CG2-CE1 4.07Å; P190-Y279 HydrophobicContact CG-CD1 3.91Å; P190-Y279 HydrophobicContact CG-CD2 3.58Å; P190-Y279 HydrophobicContact CG-CE2 4.25Å; P190-Y279 HydrophobicContact CG-CG 3.38Å; V275-Y279 HydrophobicContact CG1-CD1 3.9Å; D276-Y279 PolarHBondContact O-N 3.46Å; D276-Y279 PolarHBondContact OD1-N 3.42Å; T277-Y279 VanDerWaalsContact C-N 3.27Å; T277-Y279 PolarHBondContact O-N 3.32Å; Y279-D281 VanDerWaalsContact C-N 3.34Å; Y279-L283 HydrophobicContact CD1-CD1 3.95Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CG 4.3Å; Y279-L283 WeakPolarHBondContact O-CG 3.08Å; Y279-L283 PolarHBondContact O-N 3.41Å
280L78.5Confident78.1Confident62 Ų6279.8 Ų79.833%0.32541%0.41SS..Hα-helixtrans-63.4-40.9175.4-78.2175.7000112.3L146 V275 D276 T277 L283 S284L146-L280 HydrophobicContact CD1-CD2 3.7Å; V275-L280 HydrophobicContact CB-CD1 3.85Å; V275-L280 HydrophobicContact CB-CD2 4.23Å; V275-L280 HydrophobicContact CB-CG 3.88Å; V275-L280 HydrophobicContact CG1-CD1 4.19Å; V275-L280 HydrophobicContact CG1-CD2 3.94Å; V275-L280 HydrophobicContact CG1-CG 3.64Å; V275-L280 HydrophobicContact CG2-CD1 4.44Å; V275-L280 HydrophobicContact CG2-CD2 4.35Å; D276-L280 PolarHBondContact O-N 3.43Å; D276-L280 VanDerWaalsContact O-N 3.15Å; T277-L280 PolarHBondContact O-N 3.46Å; L280-L283 PolarHBondContact O-N 3.25Å; L280-S284 PolarHBondContact O-N 3.39Å; L280-S284 VanDerWaalsContact O-N 3.13Å
281D77.4Confident77.1Confident58 Ų5884 Ų8431%0.3143%0.431SS..Hα-helixtrans-65.1-44.9-179.1-74.9-2.6000110.4R31 T277 D278 Y279 L283 S284 D285R31-D281 IonicContact CZ-OD1 4Å; R31-D281 IonicContact NH1-OD1 3.64Å; R31-D281 PolarHBondContact NH1-OD1 3.49Å; R31-D281 IonicContact NH1-OD2 2.65Å; R31-D281 PolarHBondContact NH1-OD2 3.47Å; T277-D281 WeakPolarHBondContact O-CB 3.38Å; T277-D281 VanDerWaalsContact O-CG 3.32Å; T277-D281 PolarHBondContact O-N 3.43Å; D278-D281 PolarHBondContact O-N 3.41Å; Y279-D281 VanDerWaalsContact C-N 3.34Å; D281-L283 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-OG 3.25Å; D281-D285 PolarHBondContact O-N 3.3Å
282A76.8Confident75.9Confident52 Ų5283.9 Ų83.943%0.4343%0.434SS..Hα-helixtrans-58-44.5175.500000113.1D278 S284 D285 E286D278-A282 PolarHBondContact O-N 3.47Å; D278-A282 VanDerWaalsContact O-N 3.09Å; A282-S284 PolarHBondContact O-N 3.46Å; A282-D285 PolarHBondContact O-N 3.38Å; A282-E286 PolarHBondContact O-N 3.14Å
283L74.5Confident74.7Confident39 Ų3987.4 Ų87.420%0.20445%0.452CS..Hα-helixtrans-64.5-30.4176.4-72.1174.5000112.8I144 L146 Y279 L280 D281 D285I144-L283 HydrophobicContact CD1-CB 3.8Å; I144-L283 HydrophobicContact CG2-CD1 4.33Å; L146-L283 HydrophobicContact CD1-CD1 3.88Å; L146-L283 HydrophobicContact CD2-CD1 4.39Å; Y279-L283 HydrophobicContact CD1-CD1 3.95Å; Y279-L283 HydrophobicContact CE1-CD1 3.45Å; Y279-L283 VanDerWaalsContact CE1-CD1 3.45Å; Y279-L283 HydrophobicContact CE1-CG 4.3Å; Y279-L283 WeakPolarHBondContact O-CG 3.08Å; Y279-L283 PolarHBondContact O-N 3.41Å; L280-L283 PolarHBondContact O-N 3.25Å; D281-L283 PolarHBondContact O-N 3.43Å; L283-D285 VanDerWaalsContact C-N 3.35Å
284S68.7Low73.5Confident23 Ų2388.3 Ų88.316%0.16146%0.457CS..Hα-helixtrans-76.2-24.1-179.180.40000113.7L280 D281 A282L280-S284 PolarHBondContact O-N 3.39Å; L280-S284 VanDerWaalsContact O-N 3.13Å; D281-S284 PolarHBondContact O-N 3.43Å; D281-S284 PolarHBondContact O-OG 3.25Å; A282-S284 PolarHBondContact O-N 3.46Å
285D67.3Low72.4Confident106 Ų10684.9 Ų84.957%0.56745%0.451SS*.Hα-helixtrans-80.8-28.8177.4-68.9-19000111.8D281 A282 L283D281-D285 PolarHBondContact O-N 3.3Å; A282-D285 PolarHBondContact O-N 3.38Å; L283-D285 VanDerWaalsContact C-N 3.35Å
286E59.9Low71.1Confident139 Ų13988.7 Ų88.765%0.6547%0.469SS*.Hα-helixtrans-71.3-32.6176.2-69.4-173.2169.600113.2A282 E288A282-E286 PolarHBondContact O-N 3.14Å; E286-E288 PolarHBondContact O-N 3.19Å
287D57.8Low69.7Low98 Ų9893 Ų9352%0.52449%0.491SS..THydrogen-bonded Turntrans-73.5-10.5178.4-96-12.4000113.7
288E55.3Low68.6Low138 Ų13893.8 Ų93.865%0.64549%0.489SS*.THydrogen-bonded Turntrans-97.50.3179-72.2-172.5-17200114K140 E286K140-E288 IonicContact NZ-OE1 3.31Å; K140-E288 PolarHBondContact NZ-OE1 3.36Å; E286-E288 PolarHBondContact O-N 3.19Å
289L45.7Very low67.4Low213 Ų21391.4 Ų91.4100%1.11548%0.476SS*.  trans-99.70175.1-80.6161000112.9

Retrieved 289 of 289 residues in 170.3 ms (Link to these results)