A0A087X8R6_POEFO Loading...

YY1 transcription factor

AlphaFold DB , UniProt , Accession A0A087X8R6, Species POEFO (Poecilia formosa, Amazon molly), Gene YY1, Length 367 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
1M31.9Very low28.7Very low243 Ų243148.7 Ų148.7100%1.19784%0.835SS**  0830-65.6176.2170.800105.6
2A34.3Very low28.6Very low101 Ų101151.1 Ų151.184%0.83584%0.844SS**  76.6104.380.400000112.4
3S31.1Very low28.5Very low121 Ų121144.4 Ų144.485%0.84683%0.83SS**  trans167.2101.6146.254.80000106.3
4G30Very low28.6Very low64 Ų64142.1 Ų142.166%0.6683%0.827SS**  cis77.887.431.700000108.6
5D30.1Very low28.6Very low173 Ų173144.5 Ų144.593%0.92583%0.828SS**  trans-139.497.5152.7-89.6-24.1000108.7
6T26Very low28.6Very low101 Ų101146.6 Ų146.662%0.6283%0.831SS**  trans-74125.7168.9-16.90000108.1Y8T6-Y8 HydrophobicContact CG2-CD2 3.96Å; T6-Y8 HydrophobicContact CG2-CE2 3.35Å
7L24.3Very low28.8Very low163 Ų163145.1 Ų145.185%0.85383%0.828SS**  trans-105.1105.9163.6-14894000108.3
8Y25.1Very low28.7Very low195 Ų195142.2 Ų142.277%0.76582%0.824SS**  trans-84.7131.1168.3-69.6-92.3000108.7T6T6-Y8 HydrophobicContact CG2-CD2 3.96Å; T6-Y8 HydrophobicContact CG2-CE2 3.35Å
9I27.7Very low28.6Very low150 Ų150144.7 Ų144.777%0.76983%0.828SS**  trans-116.4114.1156.3-59179000105.3
10E25Very low28.4Very low190 Ų190145.4 Ų145.489%0.88883%0.827SS**  trans-61.8132.1175.3-71.6177.9149.300110.3
11T29.8Very low28.2Very low135 Ų135144 Ų14483%0.82882%0.821SS**  trans-76.2139.4171.749.20000110.5
12D27.9Very low27.8Very low177 Ų177140.1 Ų140.195%0.94780%0.8SS**  trans-131.2120150.4-139-3.8000108.5
13G27.8Very low27.4Very low64 Ų64143 Ų14366%0.6680%0.801SS**SBendtrans103.490.9164.600000118.9
14S28.8Very low27Very low113 Ų113144.8 Ų144.879%0.7980%0.795SS**  trans75.298.3144.356.20000122
15E28.7Very low26.6Very low178 Ų178151.1 Ų151.183%0.83281%0.808SS**  71.593.2126.1-69.6179.4145.700123.4
16M29.6Very low26.4Very low178 Ų178150.1 Ų150.188%0.87780%0.801SS**  trans53.7158.4131.5-48.9-148.8-57.200123.6
17P31.5Very low26.1Very low121 Ų121154.4 Ų154.479%0.78681%0.814SS**  -121156.4-73.133.2-15.2000113
18A26.6Very low26.2Very low92 Ų92152.3 Ų152.376%0.7681%0.808SS**  trans-86.6124.6166.400000109.7I20A18-I20 PolarHBondContact O-N 3.1Å
19E28.1Very low26.1Very low190 Ų190151.7 Ų151.789%0.88881%0.811SS**  trans-70.9122.3165.1-107.8178162.700109.4
20I24.4Very low25.9Very low159 Ų159150.6 Ų150.682%0.81581%0.812SS**  trans-89.2114172.5-63.3167.7000106.1A18A18-I20 PolarHBondContact O-N 3.1Å
21V24.3Very low25.9Very low117 Ų117148.6 Ų148.671%0.70981%0.806SS**  trans-87.1112.6169.7-177.10000107.9L23V21-L23 PolarHBondContact O-N 3.13Å
22E23.4Very low25.6Very low160 Ų160147.6 Ų147.675%0.74880%0.802SS**  trans-66.3109.9167.7-108.8179.6164.700109.2H24E22-H24 PolarHBondContact O-N 3.35Å
23L24.8Very low25.6Very low163 Ų163146 Ų14685%0.85380%0.798SS**  trans-78.4111.9170.5-72.2167000108.7V21V21-L23 PolarHBondContact O-N 3.13Å
24H23.4Very low25.5Very low158 Ų158151.2 Ų151.273%0.73181%0.805SS**  trans-74.6141.8168.1-76.568.5000110E22E22-H24 PolarHBondContact O-N 3.35Å
25E22.3Very low25.4Very low197 Ų197152.7 Ų152.792%0.92181%0.81SS**  trans-56133.8-178.7-78.8175.5146.100112.3
26I24.8Very low25.2Very low151 Ų151152 Ų15277%0.77481%0.81SS**  trans-92.8113.3172.3-60.1170.8000107.2V28I26-V28 HydrophobicContact CG2-CG2 4.35Å
27E21Very low24.9Very low192 Ų192152.4 Ų152.490%0.89781%0.81SS**  trans-74.2125.8168-86.1-175.9150.600109.9
28V25.1Very low24.6Very low119 Ų119153.2 Ų153.272%0.72181%0.813SS**  trans-108.7108.7176.4-177.50000108.1I26I26-V28 HydrophobicContact CG2-CG2 4.35Å
29E22.7Very low24.4Very low181 Ų181155.3 Ų155.385%0.84682%0.816SS**PPolyproline II helixtrans-83.3127.3168-82.6-168.3149.800110.3
30T24.9Very low24.2Very low127 Ų127153.1 Ų153.178%0.77982%0.816SS**PPolyproline II helixtrans-101.9120.7172.548.50000108.8
31I24Very low24Very low148 Ų148152 Ų15276%0.75982%0.816SS**PPolyproline II helixtrans-99.4123.2176.4-53.2175.2000108.6
32P23.9Very low24.1Very low114 Ų114150 Ų15074%0.7482%0.819SS**PPolyproline II helixtrans-75.9134.4175.529.1-31.2000111.3
33V27.2Very low24.1Very low144 Ų144145.5 Ų145.587%0.87382%0.815SS**  trans-85.9112.3178.4-178.70000109.5
34E26.1Very low24.1Very low174 Ų174145.5 Ų145.581%0.81382%0.816SS**  trans-81.4138.2167.3-69.8-168.4157.600111
35T27.1Very low24.4Very low144 Ų144144.1 Ų144.188%0.88381%0.814SS**  trans-65.2131.8-176.842.50000113.1
36I24.6Very low24.8Very low162 Ų162142.2 Ų142.283%0.83181%0.81SS**  trans-120.5124.2175.3-53.2176.1000110.3
37E22.9Very low25.2Very low188 Ų188139 Ų13988%0.87979%0.794SS**  trans-79.9152.6171.6-69.1-174.2147.100112.2
38T25.6Very low25.8Very low138 Ų138135.9 Ų135.985%0.84778%0.784SS**  trans-104.3136.3-175.6460000112.9
39T21Very low26.3Very low136 Ų136134.9 Ų134.983%0.83478%0.775SS**  trans-119.7131.8163.450.40000110.1
40V23.6Very low26.7Very low144 Ų144131.2 Ų131.287%0.87376%0.761SS**  trans-78.2126.1-178.3178.80000110.7
41V22.1Very low27Very low136 Ų136131 Ų13182%0.82476%0.755SS**  trans-120116.9159-1690000107.1
42G25.9Very low27.3Very low74 Ų74131 Ų13176%0.76376%0.756SS**  trans-71.8133.8177.900000111.4
43G22.8Very low27.6Very low65 Ų65128.7 Ų128.767%0.6775%0.753SS**  trans-129.4121.6163.900000108D45G43-D45 PolarHBondContact O-N 3.31Å
44D25Very low27.6Very low164 Ų164130.5 Ų130.588%0.87775%0.752SS**  trans-69101173.6-59.2-64000109.3
45D29.4Very low27.7Very low128 Ų128127.8 Ų127.868%0.68475%0.75SS**  trans-128.9110164.5-80.2-53.6000108.8G43 D47G43-D45 PolarHBondContact O-N 3.31Å; D45-D47 PolarHBondContact O-N 3.24Å
46D31.3Very low27.7Very low158 Ų158129.1 Ų129.185%0.84575%0.748SS**  trans-65.763174.8-65.9-57.7000111.2D48D46-D48 VanDerWaalsContact C-N 3.33Å; D46-D48 PolarHBondContact O-N 3.47Å
47D33.7Very low27.6Very low83 Ų83129 Ų12944%0.44475%0.747SS.*  trans-82.982.6165.8-77.2-38.7000108.5D45 D49D45-D47 PolarHBondContact O-N 3.24Å; D47-D49 PolarHBondContact O-N 2.81Å
48D32.2Very low27.7Very low126 Ų126123.5 Ų123.567%0.67473%0.734SS**  trans-64.367.8164-79.7-42.1000109.8D46 D50D46-D48 VanDerWaalsContact C-N 3.33Å; D46-D48 PolarHBondContact O-N 3.47Å; D48-D50 PolarHBondContact O-N 3.48Å
49D36.6Very low27.6Very low99 Ų99125 Ų12553%0.52974%0.736SS.*  trans-70.6105152.7-85.7-48.4000105.9D47 D51 R295D47-D49 PolarHBondContact O-N 2.81Å; D49-D51 PolarHBondContact O-N 3.42Å; D49-R295 IonicContact OD1-NH2 3.03Å
50D31Very low27.8Very low103 Ų103126.9 Ų126.955%0.55174%0.735SS**  trans-58.775.1157.1-82-78000107.4D48 T351 K354D48-D50 PolarHBondContact O-N 3.48Å; D50-T351 WeakPolarHBondContact OD2-CG2 2.96Å; D50-K354 IonicContact OD1-NZ 3.15Å; D50-K354 PolarHBondContact OD1-NZ 2.99Å; D50-K354 IonicContact OD2-NZ 3.8Å
51D31.7Very low27.9Very low122 Ų122125.9 Ų125.965%0.65273%0.732SS**  trans-81.7107.8163.1-170.564.3000106.3D49 G53D49-D51 PolarHBondContact O-N 3.42Å; D51-G53 PolarHBondContact O-N 3.11Å
52D30Very low27.9Very low149 Ų149126.7 Ų126.780%0.79773%0.731SS**  trans-54.8101.3170.3-70.6-63.4000108.4
53G30.6Very low28.2Very low65 Ų65129.4 Ų129.467%0.6773%0.732SS**  trans-61.5145-162.500000116.6D51D51-G53 PolarHBondContact O-N 3.11Å
54Q27Very low28.3Very low182 Ų182131.1 Ų131.185%0.8573%0.73SS**  trans-136.5145.9133.5-114.3-179.5-102.100109.5
55P27.6Very low28.4Very low118 Ų118131 Ų13177%0.76673%0.729SS**  trans-74.2149.4-163.229.7-33.4000113.6
56M27Very low28.1Very low172 Ų172130.8 Ų130.885%0.84773%0.728SS**  trans-51.3130.5174.6-58.3-84.2-84.600112.6
57I23.3Very low28.1Very low158 Ų158129.5 Ų129.581%0.8173%0.729SS**  trans-97.997.3147.2-61.5174.5000105.1
58A24Very low27.8Very low74 Ų74130 Ų13061%0.61274%0.739SS**  trans-78.3120.4166.900000107.7Q60A58-Q60 PolarHBondContact O-N 2.82Å
59L24.9Very low27.5Very low169 Ų169129 Ų12989%0.88574%0.741SS**  trans-77.7106.6167.2-68.3168.2000107.3
60Q24.6Very low27Very low175 Ų175132.4 Ų132.482%0.81876%0.757SS**PPolyproline II helixtrans-99146157.4-72.8-171.1-4.700108.6A58 L62A58-Q60 PolarHBondContact O-N 2.82Å; Q60-L62 PolarHBondContact O-N 3.16Å
61P24.9Very low26.7Very low123 Ų123134.7 Ų134.780%0.79977%0.765SS**PPolyproline II helixtrans-76.4116.2-177.730.3-31.2000110
62L22.5Very low26.4Very low154 Ų154136.3 Ų136.381%0.80677%0.768SS**PPolyproline II helixtrans-96.5117.6155.8-130.194.2000106.8Q60 T64Q60-L62 PolarHBondContact O-N 3.16Å; L62-T64 HydrophobicContact CD2-CG2 3.95Å; L62-T64 PolarHBondContact O-N 3.39Å; L62-T64 VanDerWaalsContact O-N 3.13Å
63V31.6Very low26.1Very low130 Ų130136.7 Ų136.779%0.78877%0.765SS**  trans-65.6108.9165.9-1790000106.7
64T25.1Very low25.9Very low102 Ų102140.1 Ų140.163%0.62676%0.763SS**  trans-134.3114.1162.460.60000108.7L62 D66L62-T64 HydrophobicContact CD2-CG2 3.95Å; L62-T64 PolarHBondContact O-N 3.39Å; L62-T64 VanDerWaalsContact O-N 3.13Å; T64-D66 PolarHBondContact O-N 3.03Å; T64-D66 VanDerWaalsContact O-N 3.1Å
65D27Very low25.8Very low161 Ų161139 Ų13986%0.86176%0.758SS**  trans-64.197166.4-63.7-67.7000109.7
66D24.6Very low25.7Very low124 Ų124138 Ų13866%0.66375%0.749SS**  trans-152.1115.3163.6-151-33.6000111.7T64 S68T64-D66 PolarHBondContact O-N 3.03Å; T64-D66 VanDerWaalsContact O-N 3.1Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.34Å; D66-S68 VanDerWaalsContact O-N 3.08Å
67P29.8Very low25.6Very low131 Ų131135 Ų13585%0.85174%0.735SS**  trans-88.552.1-170.536.1-36000113.4
68S29Very low25.6Very low94 Ų94132.2 Ų132.266%0.65772%0.722SS**  trans-14053-174.8-49.80000114.1D66D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.34Å; D66-S68 VanDerWaalsContact O-N 3.08Å
69S25.8Very low25.7Very low103 Ų103132.3 Ų132.372%0.7272%0.715SS**  trans-148.1124.1165.8-83.60000112.4H71S69-H71 PolarHBondContact O-N 3.46Å
70I25.4Very low25.7Very low171 Ų171129.8 Ų129.888%0.87770%0.698SS**  trans-78.6109.9178.4-63.3157.4000108.2
71H24.9Very low25.6Very low152 Ų152125.8 Ų125.870%0.70469%0.686SS**  trans-91.3128.4167.5-76.3-82.8000109.8S69 H73S69-H71 PolarHBondContact O-N 3.46Å; H71-H73 PolarHBondContact O-N 3.33Å
72H24.2Very low25.6Very low155 Ų155129.4 Ų129.472%0.71868%0.684SS**  trans-79.8107.3177.3-13776.4000108.6
73H25.2Very low25.8Very low158 Ų158131 Ų13173%0.73169%0.687SS**  trans-84.3130.6172.7-73.4-90.5000109.3H71H71-H73 PolarHBondContact O-N 3.33Å
74Q25.3Very low25.4Very low136 Ų136131.1 Ų131.164%0.63668%0.679SS**  trans-113.5112169.1-160.7165.223.500107.5
75E24.2Very low25.5Very low160 Ų160132.9 Ų132.975%0.74869%0.689SS**  trans-80.4135.3175.2-67.9-177155.900109.5
76V25.8Very low25.5Very low96 Ų96131.7 Ų131.758%0.58269%0.687SS**EExtended strand (participates in β ladder)trans-117.3119.8176.3-178.40000106.9L106V76-L106 HydrophobicContact CG1-CD2 3.93Å
77I25.4Very low25.6Very low108 Ų108129.2 Ų129.255%0.55469%0.692SS**EExtended strand (participates in β ladder)trans-92.9123.5174.6-61.5165.2000108V79 V109I77-V79 HydrophobicContact CG2-CG2 4.15Å; I77-V109 HydrophobicContact CD1-CG2 4.48Å
78L24.2Very low25.4Very low101 Ų101126.4 Ų126.453%0.52969%0.686SS.*EExtended strand (participates in β ladder)trans-87.1123.5172.6-145.397.5000108.3L106L78-L106 HydrophobicContact CD1-CD2 3.64Å
79V26Very low25.2Very low75 Ų75128.8 Ų128.846%0.45569%0.692SS.*EExtended strand (participates in β ladder)trans-114.8119.2171.4-175.80000108.4I77I77-V79 HydrophobicContact CG2-CG2 4.15Å
80Q23.8Very low25.3Very low117 Ų117130.8 Ų130.855%0.54769%0.694SS.*EExtended strand (participates in β ladder)trans-106119.9179.8-1541707.600108.1
81T23.4Very low25.5Very low91 Ų91127.2 Ų127.256%0.55868%0.684SS**PPolyproline II helixtrans-102.5121.1174.8520000109.3
82R24.5Very low25.6Very low199 Ų199127.1 Ų127.175%0.75169%0.689SS**PPolyproline II helixtrans-100.4121174.2-172.9174.2177.9-131.5-15.8109E84R82-E84 IonicContact CZ-OE1 3.06Å; R82-E84 IonicContact NH1-OE1 2.74Å; R82-E84 PolarHBondContact NH1-OE1 2.96Å; R82-E84 IonicContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact NH2-OE1 3.49Å
83E26.4Very low25.8Very low186 Ų186126.8 Ų126.887%0.86969%0.692SS**PPolyproline II helixtrans-86.1121.2164.9-76.5-172.3129.400108.9
84E23.1Very low26.1Very low134 Ų134127.8 Ų127.863%0.62670%0.697SS**  trans-95114.5163.9-75.1-159.8151.500109.3R82 V86R82-E84 IonicContact CZ-OE1 3.06Å; R82-E84 IonicContact NH1-OE1 2.74Å; R82-E84 PolarHBondContact NH1-OE1 2.96Å; R82-E84 IonicContact NH2-OE1 3.08Å; R82-E84 PolarHBondContact NH2-OE1 3.49Å; E84-V86 PolarHBondContact O-N 3.02Å
85V27.9Very low26.1Very low139 Ų139128 Ų12884%0.84271%0.707SS**  trans-78.7108.1170.9-179.70000108
86V26.9Very low26.1Very low135 Ų135128.1 Ų128.182%0.81871%0.713SS**  trans-78.6119.6170.2-176.50000108.2E84E84-V86 PolarHBondContact O-N 3.02Å
87G25.8Very low26.2Very low73 Ų73127.8 Ų127.875%0.75373%0.729SS**  trans-68.5150.2-171.800000115.2
88G25.8Very low26.1Very low72 Ų72126.2 Ų126.274%0.74274%0.739SS**  trans-134.2121.6159.600000108.6
89D26Very low26.1Very low143 Ų143124.5 Ų124.577%0.76575%0.746SS**  trans-64.6128.517839.5-54.4000113.5
90D27.9Very low25.9Very low146 Ų146124.9 Ų124.978%0.78177%0.765SS**  171.9117.9121.8-90.2-34.2000113.4
91S29.3Very low26Very low95 Ų95128.3 Ų128.366%0.66478%0.779SS**  trans35.2117.8148.948.70000123.2
92D26Very low26.2Very low150 Ų150130.6 Ų130.680%0.80278%0.783SS**  100.9108.8129.3-70.5-24.8000122.1
93L27.8Very low26.3Very low149 Ų149126.3 Ų126.378%0.7878%0.775SS**  trans99.287.1142.4-63.9165.4000120.6
94H32.1Very low26.4Very low179 Ų179122.9 Ų122.983%0.82976%0.759SS**  trans43.3102.9136.5-68.376.5000120.8
95T25.5Very low26.6Very low140 Ų140119.4 Ų119.486%0.85974%0.744SS**  trans-143.7142143.751.10000112.3
96D25.4Very low26.6Very low163 Ų163118.2 Ų118.287%0.87273%0.732SS**  trans15.6126165.5-69.7-36.3000122.7G98D96-G98 PolarHBondContact O-N 3.06Å; D96-G98 VanDerWaalsContact O-N 3.15Å
97G26.1Very low26.8Very low89 Ų89116.4 Ų116.492%0.91872%0.717SS**  trans-70.2100.6169.900000113
98G24.4Very low26.9Very low74 Ų74116.9 Ų116.976%0.76371%0.707SS**  trans-95.2109.3155.500000109.7D96D96-G98 PolarHBondContact O-N 3.06Å; D96-G98 VanDerWaalsContact O-N 3.15Å
99G24.3Very low27Very low66 Ų66116.2 Ų116.268%0.6869%0.688SS**  trans-68.2127.2169.200000110.3
100G22.4Very low27.2Very low82 Ų82113 Ų11385%0.84568%0.675SS**  trans-61.2144.3177.900000112.7
101F25.6Very low27.1Very low190 Ų190107.5 Ų107.583%0.83365%0.65SS**  trans-105125.3170.8-77-87.8000108.8
102E26.6Very low27Very low139 Ų139109.3 Ų109.365%0.6566%0.66SS**  trans-72.1117.1164.9-63.5177.7137.800108.5Q104E102-Q104 PolarHBondContact O-N 3.3Å
103D27.8Very low27.3Very low109 Ų109105.9 Ų105.958%0.58366%0.66SS**  trans-80.9111174.6-81.7-23.4000109.8
104Q27Very low27.5Very low113 Ų113103.6 Ų103.653%0.52865%0.651SS.*EExtended strand (participates in β ladder)trans-90.5125171.5-65-179.321.600110.2E102E102-Q104 PolarHBondContact O-N 3.3Å
105I28.8Very low27.4Very low62 Ų62104.2 Ų104.232%0.31866%0.655SS.*EExtended strand (participates in β ladder)trans-99.9120.9177.7-58.6175.8000108.9I107I105-I107 HydrophobicContact CG2-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CG1 3.95Å
106L27.7Very low27.5Very low114 Ų114104 Ų10460%0.59765%0.648SS**EExtended strand (participates in β ladder)trans-103.6115.4172.7-66.4172.4000109.6V76 L78V76-L106 HydrophobicContact CG1-CD2 3.93Å; L78-L106 HydrophobicContact CD1-CD2 3.64Å
107I30Very low27.7Very low97 Ų97105.9 Ų105.950%0.49765%0.652SS.*EExtended strand (participates in β ladder)trans-107.4115.8174.5-53178.7000108.4I105 V109I105-I107 HydrophobicContact CG2-CD1 4.43Å; I105-I107 HydrophobicContact CG2-CG1 3.95Å; I107-V109 PolarHBondContact O-N 3.17Å
108P28Very low27.8Very low83 Ų83111.4 Ų111.454%0.53965%0.646SS.*EExtended strand (participates in β ladder)trans-70.8125.8172.426.7-30000110.1
109V28.1Very low27.8Very low57 Ų57113.1 Ų113.135%0.34564%0.637SS.*PPolyproline II helixtrans-92.7126.7171.7-173.10000108.4I77 I107I77-V109 HydrophobicContact CD1-CG2 4.48Å; I107-V109 PolarHBondContact O-N 3.17Å
110P29.7Very low28.2Very low75 Ų75115.8 Ų115.849%0.48763%0.632SS.*PPolyproline II helixtrans-72.6132.2174.827.1-31.3000110.6
111A27.5Very low28.4Very low32 Ų32119.7 Ų119.726%0.26463%0.628SS.*PPolyproline II helixtrans-57.5142.7178.200000111.8G113A111-G113 PolarHBondContact O-N 3.19Å
112P26.6Very low28.7Very low133 Ų133112.6 Ų112.686%0.86460%0.601SS**THydrogen-bonded Turntrans-69.7116.9178.426.8-31.5000110.4
113G32.4Very low28.7Very low78 Ų78111.7 Ų111.780%0.80460%0.6SS**THydrogen-bonded Turntrans1394.1166.500000118.5A111A111-G113 PolarHBondContact O-N 3.19Å
114V30.6Very low28.8Very low100 Ų100109.6 Ų109.661%0.60659%0.59SS**  trans-100.4100.2178-163.80000110.2D116V114-D116 VanDerWaalsContact C-N 3.35Å; V114-D116 HydrophobicContact CG1-CB 4.42Å; V114-D116 PolarHBondContact O-N 2.77Å
115E30.9Very low28.8Very low192 Ų192107.6 Ų107.690%0.89759%0.586SS**  trans-80.980.4165.4-68.8-169.5147.600109
116D27.2Very low28.8Very low135 Ų135109.1 Ų109.172%0.72260%0.598SS**SBendtrans-146.8134.3163.5-89.2-43.5000110.4V114 Y118V114-D116 VanDerWaalsContact C-N 3.35Å; V114-D116 HydrophobicContact CG1-CB 4.42Å; V114-D116 PolarHBondContact O-N 2.77Å; D116-Y118 VanDerWaalsContact C-N 3.3Å; D116-Y118 PolarHBondContact O-N 3.35Å
117E30.6Very low28.8Very low203 Ų203108 Ų10895%0.94961%0.605SS**  trans-60.981.9177.8-84.1-177.7131.100111.6
118Y28.3Very low28.8Very low205 Ų205106.5 Ų106.580%0.80461%0.614SS**  trans-104.3115.7164.1-110.4-97.9000110D116 E120D116-Y118 VanDerWaalsContact C-N 3.3Å; D116-Y118 PolarHBondContact O-N 3.35Å; Y118-E120 PolarHBondContact O-N 2.74Å
119I24.1Very low28.9Very low111 Ų111110.5 Ų110.557%0.56962%0.623SS**  trans-82.293.3171.2-59.9158.5000106.7R134I119-R134 VanDerWaalsContact CD1-NH2 3.27Å; I119-R134 HydrophobicContact CG2-CG 4.44Å
120E31.9Very low28.9Very low122 Ų122112.7 Ų112.757%0.5764%0.636SS**  trans-75.7127.4171.1-68.9-168160.500110.3Y118 T122Y118-E120 PolarHBondContact O-N 2.74Å; E120-T122 PolarHBondContact O-N 2.86Å
121Q26.2Very low28.9Very low163 Ų163110.2 Ų110.276%0.76262%0.622SS**EExtended strand (participates in β ladder)trans-86.196.7167-66.7-176.4-50.300107.1
122T32.2Very low28.9Very low42 Ų42116.2 Ų116.226%0.25865%0.647SS.*EExtended strand (participates in β ladder)trans-83.4122178.3-44.80000109.3E120 V124E120-T122 PolarHBondContact O-N 2.86Å; T122-V124 HydrophobicContact CG2-CG2 4.03Å
123L26.7Very low29.2Very low120 Ų120110.5 Ų110.563%0.62861%0.612SS**EExtended strand (participates in β ladder)trans-78.9115.9166.6-93.1138.6000107.8T130L123-T130 HydrophobicContact CD2-CG2 3.56Å
124V30.1Very low29Very low64 Ų64114.3 Ų114.339%0.38860%0.602SS.*EExtended strand (participates in β ladder)trans-113120.2173-173.30000107.1T122 V126T122-V124 HydrophobicContact CG2-CG2 4.03Å; V124-V126 HydrophobicContact CG1-CG2 3.97Å
125T27.8Very low29.1Very low72 Ų72113.5 Ų113.544%0.44260%0.597SS.*EExtended strand (participates in β ladder)trans-106118.8175.5-45.40000107.2
126V28.5Very low29.1Very low94 Ų94113.4 Ų113.457%0.5759%0.594SS**EExtended strand (participates in β ladder)trans-126.8124.9172.7-177.40000107.1V124 G128 K129V124-V126 HydrophobicContact CG1-CG2 3.97Å; V126-G128 PolarHBondContact O-N 3.4Å; V126-K129 PolarHBondContact N-O 3.28Å; V126-K129 PolarHBondContact O-N 3.39Å; V126-K129 VanDerWaalsContact O-N 3.12Å
127A28.2Very low29.2Very low90 Ų90116.7 Ų116.774%0.74460%0.596SS**THydrogen-bonded Turntrans47.355.217500000113.7K129A127-K129 PolarHBondContact O-N 3.01Å
128G29.5Very low29.1Very low66 Ų66110.7 Ų110.768%0.6859%0.589SS**THydrogen-bonded Turntrans69.41.3175.900000116.5V126V126-G128 PolarHBondContact O-N 3.4Å
129K29.7Very low29.1Very low167 Ų167104.6 Ų104.673%0.72659%0.589SS**EExtended strand (participates in β ladder)trans-102120.4176.5-64.5178.8-175.4177.60110V126 A127V126-K129 PolarHBondContact N-O 3.28Å; V126-K129 PolarHBondContact O-N 3.39Å; V126-K129 VanDerWaalsContact O-N 3.12Å; A127-K129 PolarHBondContact O-N 3.01Å
130T28.3Very low29.2Very low103 Ų103102.9 Ų102.963%0.63260%0.598SS**EExtended strand (participates in β ladder)trans-89.5121.7175.8-52.80000109.7L123L123-T130 HydrophobicContact CD2-CG2 3.56Å
131A30.1Very low29.1Very low23 Ų23103.7 Ų103.719%0.1961%0.612CS.*EExtended strand (participates in β ladder)trans-127.1137175.200000111.6M180A131-M180 HydrophobicContact CB-CE 3.28Å
132M27Very low29.4Very low157 Ų157100.2 Ų100.277%0.77362%0.619SS**EExtended strand (participates in β ladder)trans-88.1109.2170.3-74.4-157.9-77.200109.3
133G32.9Very low29.2Very low13 Ų13101.5 Ų101.513%0.13464%0.641CS.*EExtended strand (participates in β ladder)trans-104.9150.4176.300000112.3
134R29Very low29.5Very low158 Ų158106.1 Ų106.160%0.59666%0.656SS**EExtended strand (participates in β ladder)trans-108.5114.1167.3-170.8177.6-172.9171.42108I119I119-R134 VanDerWaalsContact CD1-NH2 3.27Å; I119-R134 HydrophobicContact CG2-CG 4.44Å
135V32.7Very low29.5Very low84 Ų84112.8 Ų112.851%0.50968%0.68SS.*  trans-83.6134.1176.6-176.90000108.8
136K31.3Very low29.5Very low190 Ų190114.4 Ų114.483%0.82670%0.701SS**  trans-124.9118.5174.7-150.6176.7-173.5177.50108.2G138K136-G138 PolarHBondContact O-N 3.45Å
137R29.3Very low29.6Very low203 Ų203113.4 Ų113.477%0.76671%0.709SS**  trans-63.8117.9175-116179.6-178.5161.41.8109.1G139R137-G139 PolarHBondContact O-N 3.45Å; R137-G139 VanDerWaalsContact O-N 3.14Å
138G27.5Very low29.3Very low77 Ų77118.9 Ų118.979%0.79472%0.716SS**  trans-78.887.6174.500000110.9K136 G140K136-G138 PolarHBondContact O-N 3.45Å; G138-G140 PolarHBondContact O-N 3.25Å
139G27.7Very low29.1Very low78 Ų78124.3 Ų124.380%0.80472%0.721SS**  trans-75.1103.2167.800000110.2R137 T141R137-G139 PolarHBondContact O-N 3.45Å; R137-G139 VanDerWaalsContact O-N 3.14Å; G139-T141 PolarHBondContact O-N 2.97Å
140G27.8Very low28.8Very low75 Ų75121.4 Ų121.477%0.77372%0.722SS**  trans-75.8107171.400000111.3G138G138-G140 PolarHBondContact O-N 3.25Å
141T28.2Very low28.5Very low139 Ų139125.5 Ų125.585%0.85373%0.727SS**  trans-141.2133.5146.152.60000109.3G139G139-T141 PolarHBondContact O-N 2.97Å
142G33.1Very low28.5Very low89 Ų89130.6 Ų130.692%0.91875%0.75SS**  trans-63.6135.8-170.600000113.7
143G27.2Very low28.6Very low69 Ų69128.9 Ų128.971%0.71175%0.753SS**  trans-169100.6170.200000111K145G143-K145 PolarHBondContact O-N 3.24Å
144K34Very low28.8Very low217 Ų217130 Ų13094%0.94377%0.765SS**  trans-57.4107.5169.6-70.5178.6178177.80109.1
145K30Very low29.1Very low204 Ų204126.1 Ų126.189%0.88776%0.76SS**  trans-134.6115.8156.1-76.3-168.6179.9174.30109.9G143G143-K145 PolarHBondContact O-N 3.24Å
146A28.1Very low29.3Very low107 Ų107130.6 Ų130.688%0.88478%0.781SS**  trans-65.2142.9174.500000111.3
147G29.5Very low29.5Very low72 Ų72124 Ų12474%0.74276%0.763SS**  trans80.190.9147.300000117.3
148K23.3Very low29.8Very low206 Ų206117.9 Ų117.990%0.89676%0.762SS**  trans-169.7102.1130.8-100.3164.1-169.7-173.70108.3S150K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.08Å
149K23.9Very low30.2Very low179 Ų179118.5 Ų118.578%0.77877%0.769SS**  trans-67.6100166.8-70.8-179.7177.8-178.60107.2Y151K149-Y151 HydrophobicContact CB-CD2 4.37Å; K149-Y151 HydrophobicContact CB-CE2 3.94Å; K149-Y151 PolarHBondContact O-N 3.49Å
150S24.1Very low30.9Very low106 Ų106123.1 Ų123.174%0.74176%0.762SS**  trans-80.2101.1167.355.70000107.9K148 L152K148-S150 PolarHBondContact O-N 3.09Å; K148-S150 VanDerWaalsContact O-N 3.08Å; S150-L152 PolarHBondContact O-N 3.29Å
151Y22.9Very low31.4Very low190 Ų190128.3 Ų128.375%0.74576%0.763SS**PPolyproline II helixtrans-66.7117.4169.3-70.5-94.3000108.1K149K149-Y151 HydrophobicContact CB-CD2 4.37Å; K149-Y151 HydrophobicContact CB-CE2 3.94Å; K149-Y151 PolarHBondContact O-N 3.49Å
152L28.3Very low32.1Very low129 Ų129125.9 Ų125.968%0.67574%0.739SS**PPolyproline II helixtrans-79.2117.1167.5-75.1164.8000107.3S150S150-L152 PolarHBondContact O-N 3.29Å
153S30.5Very low32.3Very low121 Ų121126.3 Ų126.385%0.84672%0.717SS**PPolyproline II helixtrans-66.9128.7174.9-55.30000110.2
154G35.7Very low32.8Very low37 Ų37128.7 Ų128.738%0.38171%0.709SS.*PPolyproline II helixtrans-68.2168.5177.600000113.3D156G154-D156 PolarHBondContact O-N 2.98Å
155P36.2Very low33.1Very low76 Ų76123.4 Ų123.449%0.49469%0.687SS.*  trans-67114.7176.126.1-31.2000110.7A157P155-A157 PolarHBondContact O-N 3.24Å
156D36.2Very low33.5Very low178 Ų178119.6 Ų119.695%0.95267%0.672SS**  trans-63.498.1173.6-98.4-40.8000110.4G154G154-D156 PolarHBondContact O-N 2.98Å
157A36.5Very low34Very low53 Ų53117.9 Ų117.944%0.43865%0.65SS.*  trans-145.2119.3167.600000109.7P155 G159P155-A157 PolarHBondContact O-N 3.24Å; A157-G159 PolarHBondContact O-N 3.4Å
158G34.9Very low34.3Very low73 Ų73119.9 Ų119.975%0.75364%0.64SS**THydrogen-bonded Turntrans-21116.9-176.200000117.2R160G158-R160 PolarHBondContact O-N 2.89Å
159G36.8Very low35Very low91 Ų91114.1 Ų114.194%0.93862%0.618SS**THydrogen-bonded Turntrans68.9-1155.200000118.2A157A157-G159 PolarHBondContact O-N 3.4Å
160R42.1Very low35.5Very low174 Ų174113.2 Ų113.266%0.65761%0.614SS**  trans-87.9127.1179.2-61.1-179.8-146.3-174.93.4110.4G158 W162G158-R160 PolarHBondContact O-N 2.89Å; R160-W162 VanDerWaalsContact O-CD1 3.28Å
161K37.7Very low36.2Very low184 Ų184111.5 Ų111.580%0.860%0.599SS**  trans-74.4129.6167.7-84.6-178.1176.2178.50108.5
162W42.7Very low36.4Very low89 Ų89111.6 Ų111.634%0.33761%0.612SS.*  trans-114.4132.6175-65.691.7000108.5R160 W181R160-W162 VanDerWaalsContact O-CD1 3.28Å; W162-W181 HydrophobicContact CB-CE3 3.79Å; W162-W181 HydrophobicContact CB-CZ3 4.31Å; W162-W181 HydrophobicContact CE3-CB 4.02Å
163E37.6Very low36.5Very low97 Ų97113.8 Ų113.845%0.45362%0.619SS.*EExtended strand (participates in β ladder)trans-106.9136.1173.2-64.4-162.1154.600110.4W181 A182E163-W181 WeakPolarHBondContact O-CA 3.08Å; E163-A182 PolarHBondContact N-O 3.27Å; E163-A182 PolarHBondContact O-N 3.49Å
164Q38.2Very low36.7Very low119 Ų119109.4 Ų109.456%0.55659%0.593SS**EExtended strand (participates in β ladder)trans-89.9112.8177.5-170.4177.55.800108.8T179 M180 W181Q164-T179 HydrophobicContact CG-CG2 3.41Å; Q164-T179 VanDerWaalsContact CG-CG2 3.41Å; Q164-M180 WeakPolarHBondContact CA-O 3.44Å; Q164-W181 HydrophobicContact CB-CE3 4.21Å; Q164-W181 HydrophobicContact CB-CH2 4.5Å; Q164-W181 HydrophobicContact CB-CZ3 4.15Å
165K39.7Very low36.5Very low107 Ų107112.5 Ų112.547%0.46560%0.597SS.*EExtended strand (participates in β ladder)trans-112.7134.4178.2-73.2-178.6178171.90110.1M180 A182K165-M180 PolarHBondContact N-O 3.1Å; K165-M180 PolarHBondContact O-N 2.9Å; K165-A182 HydrophobicContact CD-CB 4.37Å
166Q37.5Very low36.5Very low124 Ų124113.7 Ų113.758%0.57960%0.595SS**EExtended strand (participates in β ladder)trans-106.2123.6177.7-172.2174-2.400108.7S177 V178 T179Q166-S177 PolarHBondContact NE2-OG 3.45Å; Q166-V178 CarbonylContact C-O 3.58Å; Q166-V178 WeakPolarHBondContact CA-O 3.42Å; Q166-T179 HydrophobicContact CB-CG2 4.46Å
167V38.8Very low36.4Very low70 Ų70107.9 Ų107.942%0.42457%0.568SS.*EExtended strand (participates in β ladder)trans-111.3130.1-179.2-176.30000108.5I169 S177 V178V167-I169 HydrophobicContact CG1-CG1 4.42Å; V167-S177 CarbonylContact O-C 3.59Å; V167-S177 WeakPolarHBondContact O-CA 3.42Å; V167-V178 PolarHBondContact N-O 3.16Å; V167-V178 PolarHBondContact O-N 2.58Å
168Q36Very low36.5Very low115 Ų115106.5 Ų106.554%0.53755%0.554SS.*EExtended strand (participates in β ladder)trans-92.2127.8174.8-67-86.211.800108.5
169I38.3Very low36.6Very low85 Ų85105.6 Ų105.644%0.43653%0.534SS..EExtended strand (participates in β ladder)trans-118.8115.4178.2-55.6175.2000107V167 T171 E175 F176 V178V167-I169 HydrophobicContact CG1-CG1 4.42Å; I169-T171 HydrophobicContact CG2-CG2 4.27Å; I169-E175 WeakPolarHBondContact O-CA 3.4Å; I169-F176 PolarHBondContact N-O 3.27Å; I169-F176 PolarHBondContact O-N 3.09Å; I169-V178 HydrophobicContact CD1-CG2 4.11Å
170K35.5Very low36.9Very low159 Ų159103.7 Ų103.769%0.69150%0.502SS*.EExtended strand (participates in β ladder)trans-93.6125.7174.5-73.2-177.6178.1179.70109.6E175K170-E175 WeakPolarHBondContact CE-OE1 3.42Å; K170-E175 WeakPolarHBondContact CE-OE2 3.35Å; K170-E175 HydrophobicContact CG-CB 3.94Å; K170-E175 HydrophobicContact CG-CG 3.57Å; K170-E175 IonicContact NZ-OE1 3.04Å; K170-E175 IonicContact NZ-OE2 3.9Å
171T37.4Very low36.9Very low70 Ų70100.1 Ų100.143%0.42949%0.488SS..EExtended strand (participates in β ladder)trans-120.3166.5172.468.60000109.6I169 E173 G174I169-T171 HydrophobicContact CG2-CG2 4.27Å; T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.13Å; T171-E173 PolarHBondContact OG1-N 2.88Å; T171-G174 PolarHBondContact N-O 3.04Å; T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact OG1-N 3.38Å; T171-G174 PolarHBondContact OG1-O 3.34Å
172L28.3Very low36.8Very low192 Ų19293 Ų93100%1.00546%0.464SS*.THydrogen-bonded Turntrans-60.4-20.3176.3-67.1171000112.9
173E30.7Very low36.5Very low175 Ų17591 Ų9182%0.81846%0.463SS*.THydrogen-bonded Turntrans-100.40.4179.1-59.3-166.5145.500114T171T171-E173 PolarHBondContact O-N 2.76Å; T171-E173 VanDerWaalsContact O-N 3.13Å; T171-E173 PolarHBondContact OG1-N 2.88Å
174G33.3Very low36.3Very low30 Ų3091.2 Ų91.231%0.30947%0.468SS..EExtended strand (participates in β ladder)trans141.4169.217700000114.7T171 F176T171-G174 PolarHBondContact N-O 3.04Å; T171-G174 PolarHBondContact O-N 3.16Å; T171-G174 VanDerWaalsContact O-N 3.1Å; T171-G174 PolarHBondContact OG1-N 3.38Å; T171-G174 PolarHBondContact OG1-O 3.34Å; G174-F176 WeakPolarHBondContact O-CE2 3.26Å
175E32.2Very low36.2Very low101 Ų10191.8 Ų91.847%0.47247%0.473SS..EExtended strand (participates in β ladder)trans-98127.1178.4-172.8169.3-160.600110.7I169 K170I169-E175 WeakPolarHBondContact O-CA 3.4Å; K170-E175 WeakPolarHBondContact CE-OE1 3.42Å; K170-E175 WeakPolarHBondContact CE-OE2 3.35Å; K170-E175 HydrophobicContact CG-CB 3.94Å; K170-E175 HydrophobicContact CG-CG 3.57Å; K170-E175 IonicContact NZ-OE1 3.04Å; K170-E175 IonicContact NZ-OE2 3.9Å
176F36.8Very low35.6Very low102 Ų10293.6 Ų93.645%0.44749%0.488SS..EExtended strand (participates in β ladder)trans-123.8137.3179.2-52.7-83.4000110.2I169 G174I169-F176 PolarHBondContact N-O 3.27Å; I169-F176 PolarHBondContact O-N 3.09Å; G174-F176 WeakPolarHBondContact O-CE2 3.26Å
177S32.2Very low35.6Very low55 Ų5596.8 Ų96.839%0.38550%0.502SS..EExtended strand (participates in β ladder)trans-102.3125.817475.10000111Q166 V167Q166-S177 PolarHBondContact NE2-OG 3.45Å; V167-S177 CarbonylContact O-C 3.59Å; V167-S177 WeakPolarHBondContact O-CA 3.42Å
178V39.8Very low35.1Very low25 Ų25101.4 Ų101.415%0.15252%0.52CS..EExtended strand (participates in β ladder)trans-107.8132.4175.1-177.10000108.8Q166 V167 I169 M180Q166-V178 CarbonylContact C-O 3.58Å; Q166-V178 WeakPolarHBondContact CA-O 3.42Å; V167-V178 PolarHBondContact N-O 3.16Å; V167-V178 PolarHBondContact O-N 2.58Å; I169-V178 HydrophobicContact CD1-CG2 4.11Å; V178-M180 HydrophobicContact CG1-CG 3.97Å; V178-M180 HydrophobicContact CG1-SD 4.49Å
179T37.4Very low34.9Very low54 Ų54101 Ų10133%0.33153%0.529SS..EExtended strand (participates in β ladder)trans-103.7127.2175.9-42.10000110.4Q164 Q166Q164-T179 HydrophobicContact CG-CG2 3.41Å; Q164-T179 VanDerWaalsContact CG-CG2 3.41Å; Q166-T179 HydrophobicContact CB-CG2 4.46Å
180M41.6Very low34.3Very low51 Ų51103.7 Ų103.725%0.25155%0.549SS..EExtended strand (participates in β ladder)trans-127.6153-172.7-56.3176.772.400110.2A131 Q164 K165 V178A131-M180 HydrophobicContact CB-CE 3.28Å; Q164-M180 WeakPolarHBondContact CA-O 3.44Å; K165-M180 PolarHBondContact N-O 3.1Å; K165-M180 PolarHBondContact O-N 2.9Å; V178-M180 HydrophobicContact CG1-CG 3.97Å; V178-M180 HydrophobicContact CG1-SD 4.49Å
181W42.5Very low33.9Very low98 Ų98102 Ų10237%0.37155%0.552SS.*EExtended strand (participates in β ladder)trans-99121.5171.2-63.891.4000108.6W162 E163 Q164W162-W181 HydrophobicContact CB-CE3 3.79Å; W162-W181 HydrophobicContact CB-CZ3 4.31Å; W162-W181 HydrophobicContact CE3-CB 4.02Å; E163-W181 WeakPolarHBondContact O-CA 3.08Å; Q164-W181 HydrophobicContact CB-CE3 4.21Å; Q164-W181 HydrophobicContact CB-CH2 4.5Å; Q164-W181 HydrophobicContact CB-CZ3 4.15Å
182A37Very low33.5Very low35 Ų35108 Ų10829%0.28958%0.575SS.*EExtended strand (participates in β ladder)trans-109.6140.6175.600000109.4E163 K165E163-A182 PolarHBondContact N-O 3.27Å; E163-A182 PolarHBondContact O-N 3.49Å; K165-A182 HydrophobicContact CD-CB 4.37Å
183S36.3Very low33.5Very low47 Ų47107.4 Ų107.433%0.32957%0.567SS.*  trans-104.1135.5166.759.60000108.7I185S183-I185 PolarHBondContact O-N 3.2Å; S183-I185 VanDerWaalsContact O-N 3.15Å
184D32.5Very low33.5Very low102 Ų102107.8 Ų107.855%0.54557%0.569SS.*  trans-66.3113.1171.9-61-36.8000108.7
185I35.4Very low33.2Very low131 Ų131113.9 Ų113.967%0.67259%0.593SS**  trans-119.6101.8164.7-60.2175.8000104.7S183S183-I185 PolarHBondContact O-N 3.2Å; S183-I185 VanDerWaalsContact O-N 3.15Å
186D28.8Very low33.3Very low145 Ų145115.1 Ų115.178%0.77561%0.607SS**  trans-71124.5162.2-67.2-44.7000107.5E188D186-E188 PolarHBondContact O-N 3.31Å
187H36.1Very low33Very low190 Ų190113 Ų11388%0.8861%0.614SS**  trans-82.171.8-180-146-84.4000108.9
188E29.4Very low33.3Very low168 Ų168119.1 Ų119.179%0.78564%0.637SS**  trans-108.4112167.9-92.2-170.9137.200110.4D186D186-E188 PolarHBondContact O-N 3.31Å
189S31.1Very low33.1Very low105 Ų105125.6 Ų125.673%0.73467%0.67SS**  trans34.597.7154.962.70000117.7
190V26Very low32.9Very low143 Ų143128.5 Ų128.587%0.86769%0.693SS**  trans-101.9106.9152.4-179.30000107.8
191V27.2Very low32.6Very low124 Ų124131.3 Ų131.375%0.75272%0.715SS**  trans-61.6127.7167.9-133.50000108.2E193V191-E193 PolarHBondContact O-N 3.25Å; V191-E193 VanDerWaalsContact O-N 3.12Å
192E29.6Very low32.4Very low196 Ų196130.3 Ų130.392%0.91672%0.721SS**  trans-66.4103.9168.7-72.2-175.9144.600109.4
193E27.7Very low32.5Very low179 Ų179134.3 Ų134.384%0.83674%0.738SS**  trans-92.6114.5159-87.4-169.2134.800109.4V191 I195V191-E193 PolarHBondContact O-N 3.25Å; V191-E193 VanDerWaalsContact O-N 3.12Å; E193-I195 PolarHBondContact O-N 2.98Å; E193-I195 VanDerWaalsContact O-N 3.14Å
194Q29.8Very low32.8Very low183 Ų183139.2 Ų139.286%0.85575%0.75SS**  trans-56.7110.7164.7-78.9177.9-83.100110
195I28Very low33.5Very low158 Ų158137.8 Ų137.881%0.8175%0.748SS**  trans-93.296.4160.2-59.3176.8000107.6E193 G197E193-I195 PolarHBondContact O-N 2.98Å; E193-I195 VanDerWaalsContact O-N 3.14Å; I195-G197 PolarHBondContact O-N 3.42Å
196V34.7Very low33.8Very low127 Ų127138.7 Ų138.777%0.7775%0.749SS**  trans-69.8109.7157-179.10000106.3
197G29.6Very low34.8Very low58 Ų58136.3 Ų136.360%0.59873%0.73SS**  trans-139.284.1-178.700000111.4I195 N199I195-G197 PolarHBondContact O-N 3.42Å; G197-N199 VanDerWaalsContact C-N 3.3Å; G197-N199 PolarHBondContact O-N 3.22Å
198E38.3Very low35Very low183 Ų183135.6 Ų135.686%0.85573%0.729SS**  trans-57.695.4154-72.3176.3109.700108.1
199N36Very low36Very low160 Ų160132.5 Ų132.586%0.85672%0.722SS**  trans-17267.6161.6-89-39000109.4G197G197-N199 VanDerWaalsContact C-N 3.3Å; G197-N199 PolarHBondContact O-N 3.22Å
200S33.3Very low36.7Very low116 Ų116131 Ų13181%0.81172%0.723SS**PPolyproline II helixtrans-77.9128.8153.7-81.80000108.1
201P34.8Very low37.6Very low110 Ų110133.1 Ų133.171%0.71472%0.721SS**PPolyproline II helixtrans-59.4139171.7-16.228.1000109.3
202P38.8Very low38.2Very low76 Ų76136.1 Ų136.149%0.49472%0.724SS.*PPolyproline II helixtrans-61.5142.5178.720-26.5000110.7Y204P202-Y204 HydrophobicContact CB-CE2 4.47Å; P202-Y204 HydrophobicContact CG-CE2 3.69Å; P202-Y204 WeakPolarHBondContact O-CD2 3.27Å; P202-Y204 WeakPolarHBondContact O-CE2 3.25Å; P202-Y204 PolarHBondContact O-N 3.15Å
203D39.6Very low38.9Very low119 Ų119132.8 Ų132.864%0.63671%0.711SS**  trans-64.5106.6176.4178.35.4000109.7S205D203-S205 VanDerWaalsContact C-N 3.25Å; D203-S205 VanDerWaalsContact CG-OG 3.26Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 WeakPolarHBondContact OD1-CB 3.4Å; D203-S205 PolarHBondContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; D203-S205 PolarHBondContact OD2-OG 3.31Å
204Y42.1Very low39.3Very low151 Ų151126.4 Ų126.459%0.59269%0.685SS**G310 helixtrans-83.97.5-177.5-78-84.2000114.1P202 E206 Y207P202-Y204 HydrophobicContact CB-CE2 4.47Å; P202-Y204 HydrophobicContact CG-CE2 3.69Å; P202-Y204 WeakPolarHBondContact O-CD2 3.27Å; P202-Y204 WeakPolarHBondContact O-CE2 3.25Å; P202-Y204 PolarHBondContact O-N 3.15Å; Y204-E206 VanDerWaalsContact C-N 3.26Å; Y204-E206 PolarHBondContact O-N 2.79Å; Y204-Y207 AromaticContact CD1-CD2 3.4Å; Y204-Y207 HydrophobicContact CD1-CD2 3.4Å; Y204-Y207 VanDerWaalsContact CD1-CD2 3.4Å; Y204-Y207 AromaticContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CG 4.29Å; Y204-Y207 HydrophobicContact CE1-CD2 4.19Å; Y204-Y207 HydrophobicContact CE1-CE2 4.16Å; Y204-Y207 HydrophobicContact CG-CD2 4.09Å; Y204-Y207 HydrophobicContact CG-CE2 4.33Å; Y204-Y207 PolarHBondContact O-N 3.48Å
205S48.1Very low39.7Very low72 Ų72124.1 Ų124.150%0.50369%0.687SS.*G310 helixtrans-64.6-26.8-177.2650000113.7D203D203-S205 VanDerWaalsContact C-N 3.25Å; D203-S205 VanDerWaalsContact CG-OG 3.26Å; D203-S205 PolarHBondContact O-N 3.42Å; D203-S205 WeakPolarHBondContact OD1-CB 3.4Å; D203-S205 PolarHBondContact OD1-N 3.08Å; D203-S205 PolarHBondContact OD1-OG 3.41Å; D203-S205 PolarHBondContact OD2-OG 3.31Å
206E41.7Very low40.6Very low149 Ų149120.6 Ų120.670%0.69669%0.689SS**G310 helixtrans-75.6-25.3179-66.7-166.1154.500114Y204 M208 T209Y204-E206 VanDerWaalsContact C-N 3.26Å; Y204-E206 PolarHBondContact O-N 2.79Å; E206-M208 PolarHBondContact O-N 3.01Å; E206-T209 PolarHBondContact O-OG1 3.41Å
207Y50Low41.4Very low96 Ų96115.8 Ų115.838%0.37667%0.665SS.*G310 helixtrans-83.6-9.9-175.2-50.1-78.7000114Y204 T209 P214Y204-Y207 AromaticContact CD1-CD2 3.4Å; Y204-Y207 HydrophobicContact CD1-CD2 3.4Å; Y204-Y207 VanDerWaalsContact CD1-CD2 3.4Å; Y204-Y207 AromaticContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CE2 3.7Å; Y204-Y207 HydrophobicContact CD1-CG 4.29Å; Y204-Y207 HydrophobicContact CE1-CD2 4.19Å; Y204-Y207 HydrophobicContact CE1-CE2 4.16Å; Y204-Y207 HydrophobicContact CG-CD2 4.09Å; Y204-Y207 HydrophobicContact CG-CE2 4.33Å; Y204-Y207 PolarHBondContact O-N 3.48Å; Y207-T209 PolarHBondContact O-N 3.2Å; Y207-P214 HydrophobicContact CE1-CB 4.11Å
208M39.4Very low42.3Very low174 Ų174116.3 Ų116.386%0.85765%0.653SS**G310 helixtrans-75.9-4.3177.4-67-71.4-105.200113.3E206E206-M208 PolarHBondContact O-N 3.01Å
209T50.2Low42.4Very low103 Ų103113.7 Ų113.763%0.63265%0.652SS**G310 helixtrans-98.7-2.8-178.964.80000114.3E206 Y207 K211E206-T209 PolarHBondContact O-OG1 3.41Å; Y207-T209 PolarHBondContact O-N 3.2Å; T209-K211 VanDerWaalsContact C-N 3.33Å; T209-K211 PolarHBondContact O-N 2.92Å
210G45.4Very low43.2Very low73 Ų73109.8 Ų109.875%0.75365%0.65SS**SBendtrans69.315.3168.400000116.8
211K44.7Very low44.1Very low189 Ų189106.8 Ų106.882%0.82262%0.624SS**SBendtrans-112.3-5.5-173.7-72-175.9-178.7-179.50116.9T209T209-K211 VanDerWaalsContact C-N 3.33Å; T209-K211 PolarHBondContact O-N 2.92Å
212K39.6Very low45Very low187 Ų187105.9 Ų105.981%0.81361%0.613SS**  trans-145.6130.5171.5-72.8-170.8178.3179.80111.7
213L44.7Very low45.7Very low126 Ų126106.8 Ų106.866%0.6661%0.614SS**  trans-76.7144167.5-83.9136.4000109.7
214P37Very low46.4Very low44 Ų44106 Ų10629%0.28662%0.617SS.*  trans-63.2143.6178.224.9-32.3000111.3Y207 G216 G217Y207-P214 HydrophobicContact CE1-CB 4.11Å; P214-G216 PolarHBondContact O-N 3.34Å; P214-G217 PolarHBondContact O-N 3.5Å; P214-G217 VanDerWaalsContact O-N 3.15Å
215P38.3Very low47.2Very low136 Ų136101.8 Ų101.888%0.88361%0.605SS**THydrogen-bonded Turntrans-68.6102.2173.328.7-30.5000108.1
216G46.2Very low47.8Very low84 Ų84103.1 Ų103.187%0.86661%0.612SS**THydrogen-bonded Turntrans132.2-7.5-173.800000114.8P214P214-G216 PolarHBondContact O-N 3.34Å
217G50.9Low48.7Very low25 Ų25103.8 Ų103.826%0.25861%0.612SS.*  trans72.5176.9-179.400000113.3P214P214-G217 PolarHBondContact O-N 3.5Å; P214-G217 VanDerWaalsContact O-N 3.15Å
218I49.4Very low49Very low69 Ų69102.7 Ų102.735%0.35461%0.611SS.*  trans-82.1127.7178.6-57.5171.8000107.5G220 I221 F232I218-G220 PolarHBondContact O-N 2.89Å; I218-G220 VanDerWaalsContact O-N 3.08Å; I218-I221 HydrophobicContact CB-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CD1 4.23Å; I218-I221 PolarHBondContact O-N 2.87Å; I218-F232 HydrophobicContact CD1-CE2 4.33Å; I218-F232 HydrophobicContact CD1-CZ 4.34Å
219P40.8Very low49.8Very low128 Ų12898.6 Ų98.683%0.83159%0.592SS**THydrogen-bonded Turntrans-55.5118179.6-22.931.8000111.1
220G52.3Low50.4Low78 Ų7895.7 Ų95.780%0.80458%0.578SS**THydrogen-bonded Turntrans97.35.7175.900000117I218I218-G220 PolarHBondContact O-N 2.89Å; I218-G220 VanDerWaalsContact O-N 3.08Å
221I52.9Low51.2Low53 Ų5398.2 Ų98.227%0.27257%0.57SS.*  trans-121.7116.2174.4-59.4174000109.7I218 L223 F232I218-I221 HydrophobicContact CB-CD1 4.46Å; I218-I221 HydrophobicContact CG2-CD1 4.23Å; I218-I221 PolarHBondContact O-N 2.87Å; I221-L223 PolarHBondContact O-N 3.11Å; I221-F232 HydrophobicContact CD1-CD2 4.14Å; I221-F232 HydrophobicContact CD1-CE2 4.36Å
222D53.5Low51.8Low92 Ų9294.2 Ų94.249%0.49255%0.553SS.*  trans-84.7105174.2-175.61.6000109.9S224 D225D222-S224 PolarHBondContact O-N 3.28Å; D222-S224 VanDerWaalsContact O-N 3.15Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.71Å; D222-D225 PolarHBondContact O-N 3.27Å
223L53.1Low52.7Low95 Ų9589.3 Ų89.350%0.49755%0.547SS..THydrogen-bonded Turntrans-69.5-4.5179.5-70.5160.6000113.4I221 L229I221-L223 PolarHBondContact O-N 3.11Å; L223-L229 HydrophobicContact CD2-CD1 3.83Å
224S54.3Low53.5Low102 Ų10293.2 Ų93.271%0.71355%0.553SS**THydrogen-bonded Turntrans-85.2-16.8175.6-34.20000112.5D222 P226D222-S224 PolarHBondContact O-N 3.28Å; D222-S224 VanDerWaalsContact O-N 3.15Å; D222-S224 WeakPolarHBondContact OD1-CB 3.49Å; D222-S224 PolarHBondContact OD1-N 3.17Å; D222-S224 PolarHBondContact OD1-OG 2.71Å; S224-P226 WeakPolarHBondContact O-CD 3.43Å
225D58.4Low54.4Low63 Ų6397.3 Ų97.334%0.33757%0.57SS.*  trans-90.9111.8178.1-171.3-15.4000111D222 K227 Q228 L229D222-D225 PolarHBondContact O-N 3.27Å; D225-K227 PolarHBondContact O-N 3.33Å; D225-K227 VanDerWaalsContact O-N 3.09Å; D225-K227 WeakPolarHBondContact OD1-CB 3.34Å; D225-K227 PolarHBondContact OD1-N 3.18Å; D225-Q228 HydrophobicContact CB-CB 4.39Å; D225-Q228 HydrophobicContact CB-CG 4.33Å; D225-Q228 PolarHBondContact O-N 3.19Å; D225-Q228 VanDerWaalsContact O-N 3.13Å; D225-L229 PolarHBondContact O-N 3.39Å; D225-L229 VanDerWaalsContact O-N 3.11Å
226P61.6Low55Low99 Ų9999.9 Ų99.964%0.64357%0.568SS**Hα-helixtrans-61.9-18.7179.923.6-32000113.5S224 A230S224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-A230 VanDerWaalsContact O-CB 3.22Å; P226-A230 WeakPolarHBondContact O-CB 3.42Å; P226-A230 PolarHBondContact O-N 3.04Å; P226-A230 VanDerWaalsContact O-N 3.11Å
227K59.8Low55.2Low163 Ų163101.5 Ų101.571%0.70956%0.563SS**Hα-helixtrans-74.7-43.6173.8-70.1-178.8179.2175.60112.2D225 A230 E231D225-K227 PolarHBondContact O-N 3.33Å; D225-K227 VanDerWaalsContact O-N 3.09Å; D225-K227 WeakPolarHBondContact OD1-CB 3.34Å; D225-K227 PolarHBondContact OD1-N 3.18Å; K227-A230 PolarHBondContact O-N 3.29Å; K227-E231 WeakPolarHBondContact O-CB 3.41Å; K227-E231 PolarHBondContact O-N 3.16Å
228Q57.6Low55Low73 Ų73110.7 Ų110.734%0.34159%0.59SS.*Hα-helixtrans-70-36177.8-68.5-143.8-8.500111.8D225 E231 F232D225-Q228 HydrophobicContact CB-CB 4.39Å; D225-Q228 HydrophobicContact CB-CG 4.33Å; D225-Q228 PolarHBondContact O-N 3.19Å; D225-Q228 VanDerWaalsContact O-N 3.13Å; Q228-E231 PolarHBondContact O-N 3.16Å; Q228-F232 WeakPolarHBondContact O-CB 3.39Å; Q228-F232 PolarHBondContact O-N 3.14Å
229L56.2Low54.8Low88 Ų88116.7 Ų116.746%0.46161%0.613SS.*Hα-helixtrans-64.8-40172.9-165.272000111.8L223 D225 E231 A233L223-L229 HydrophobicContact CD2-CD1 3.83Å; D225-L229 PolarHBondContact O-N 3.39Å; D225-L229 VanDerWaalsContact O-N 3.11Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 2.82Å
230A62.6Low55.1Low42 Ų42115.8 Ų115.835%0.34761%0.605SS.*Hα-helixtrans-68.7-31.8174.600000112.6P226 K227 R234P226-A230 VanDerWaalsContact O-CB 3.22Å; P226-A230 WeakPolarHBondContact O-CB 3.42Å; P226-A230 PolarHBondContact O-N 3.04Å; P226-A230 VanDerWaalsContact O-N 3.11Å; K227-A230 PolarHBondContact O-N 3.29Å; A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 VanDerWaalsContact O-CD 3.28Å; A230-R234 WeakPolarHBondContact O-CD 3.37Å; A230-R234 WeakPolarHBondContact O-CG 3.45Å; A230-R234 PolarHBondContact O-N 3.38Å; A230-R234 VanDerWaalsContact O-N 3.11Å
231E61.5Low55.1Low126 Ų126119 Ų11959%0.58960%0.597SS**Hα-helixtrans-72.4-42.7175.5-166.6172-173.400111.6K227 Q228 L229 R234 M235K227-E231 WeakPolarHBondContact O-CB 3.41Å; K227-E231 PolarHBondContact O-N 3.16Å; Q228-E231 PolarHBondContact O-N 3.16Å; L229-E231 VanDerWaalsContact C-N 3.34Å; E231-R234 CarbonylContact O-C 3.56Å; E231-R234 PolarHBondContact O-N 3.13Å; E231-R234 VanDerWaalsContact O-N 3.11Å; E231-M235 PolarHBondContact O-N 2.86Å; E231-M235 VanDerWaalsContact O-N 3.09Å
232F57.1Low55.1Low105 Ų105125.7 Ų125.746%0.46163%0.627SS.*Hα-helixtrans-62.4-43.3172.5-168.3-96.8000111.7I218 I221 Q228 R234 M235I218-F232 HydrophobicContact CD1-CE2 4.33Å; I218-F232 HydrophobicContact CD1-CZ 4.34Å; I221-F232 HydrophobicContact CD1-CD2 4.14Å; I221-F232 HydrophobicContact CD1-CE2 4.36Å; Q228-F232 WeakPolarHBondContact O-CB 3.39Å; Q228-F232 PolarHBondContact O-N 3.14Å; F232-R234 PolarHBondContact O-N 3.46Å; F232-M235 WeakPolarHBondContact O-CB 3.49Å; F232-M235 PolarHBondContact O-N 3.11Å; F232-M235 VanDerWaalsContact O-N 3.14Å
233A59Low55.1Low84 Ų84127.9 Ų127.969%0.69464%0.639SS**Hα-helixtrans-67-19.6174.900000113.6L229L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.48Å; L229-A233 PolarHBondContact O-N 2.82Å
234R60.5Low55.1Low208 Ų208127.3 Ų127.379%0.78564%0.637SS**Hα-helixtrans-90.9-10174.8-75.6169.3-174.2-1301.9113.3A230 E231 F232 K236A230-R234 WeakPolarHBondContact O-CB 3.44Å; A230-R234 VanDerWaalsContact O-CD 3.28Å; A230-R234 WeakPolarHBondContact O-CD 3.37Å; A230-R234 WeakPolarHBondContact O-CG 3.45Å; A230-R234 PolarHBondContact O-N 3.38Å; A230-R234 VanDerWaalsContact O-N 3.11Å; E231-R234 CarbonylContact O-C 3.56Å; E231-R234 PolarHBondContact O-N 3.13Å; E231-R234 VanDerWaalsContact O-N 3.11Å; F232-R234 PolarHBondContact O-N 3.46Å; R234-K236 PolarHBondContact O-N 2.82Å
235M56.3Low55.3Low130 Ų130125.6 Ų125.664%0.6463%0.629SS**  trans-65.7105.3169.8-68.5-163.4-17100108.5E231 F232E231-M235 PolarHBondContact O-N 2.86Å; E231-M235 VanDerWaalsContact O-N 3.09Å; F232-M235 WeakPolarHBondContact O-CB 3.49Å; F232-M235 PolarHBondContact O-N 3.11Å; F232-M235 VanDerWaalsContact O-N 3.14Å
236K51Low55.4Low190 Ų190127.5 Ų127.583%0.82664%0.644SS**PPolyproline II helixtrans-63.7136.3171.5-69.3178-179.7177.60107.8R234 R238R234-K236 PolarHBondContact O-N 2.82Å; K236-R238 PolarHBondContact O-N 3.34Å; K236-R238 VanDerWaalsContact O-N 3.15Å
237P50.7Low55.6Low118 Ų118133.7 Ų133.777%0.76666%0.655SS**PPolyproline II helixtrans-51.712917021.3-30.6000107.6K239P237-K239 PolarHBondContact O-N 2.96Å
238R47.3Very low56.7Low218 Ų218128.9 Ų128.982%0.82364%0.639SS**PPolyproline II helixtrans-53.5118178.9-151.9177.5-172.5-118.37105.9K236 V240K236-R238 PolarHBondContact O-N 3.34Å; K236-R238 VanDerWaalsContact O-N 3.15Å; R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.3Å
239K44.2Very low58.1Low196 Ų196128.3 Ų128.385%0.85264%0.638SS**  trans-61.3102.7172.7-73.8-174.7177.3-174.10105.8P237 K241P237-K239 PolarHBondContact O-N 2.96Å; K239-K241 PolarHBondContact O-N 2.87Å
240V46.7Very low59.7Low109 Ų109126.9 Ų126.966%0.66164%0.639SS**  trans-54.4112.4168.3-178.50000104.5R238 D244R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.3Å; V240-D244 HydrophobicContact CG1-CB 3.55Å
241K52Low61Low145 Ų145125.4 Ų125.463%0.6363%0.626SS**  trans-66.8147.9172.5-67.4179.1-179.6178.50105.7K239 D243 D244K239-K241 PolarHBondContact O-N 2.87Å; K241-D243 HydrophobicContact CB-CB 4.49Å; K241-D243 PolarHBondContact O-N 3.4Å; K241-D244 PolarHBondContact N-OD2 3.15Å; K241-D244 WeakPolarHBondContact O-CB 3.37Å; K241-D244 PolarHBondContact O-N 2.82Å
242E53.2Low62.3Low193 Ų193124.1 Ų124.190%0.90263%0.628SS**G310 helixtrans-54.7-17176.9-73.3172.6149.300112.5D244E242-D244 VanDerWaalsContact C-N 3.34Å; E242-D244 PolarHBondContact O-N 3.3Å
243D54.6Low63.8Low139 Ų139123 Ų12374%0.74363%0.625SS**G310 helixtrans-76.8-7.2174.4-47.9-49.3000115.5K241K241-D243 HydrophobicContact CB-CB 4.49Å; K241-D243 PolarHBondContact O-N 3.4Å
244D52.3Low65.2Low83 Ų83128.6 Ų128.644%0.44463%0.633SS.*G310 helixtrans-92.912.1180-70-44000112.7V240 K241 E242V240-D244 HydrophobicContact CG1-CB 3.55Å; K241-D244 PolarHBondContact N-OD2 3.15Å; K241-D244 WeakPolarHBondContact O-CB 3.37Å; K241-D244 PolarHBondContact O-N 2.82Å; E242-D244 VanDerWaalsContact C-N 3.34Å; E242-D244 PolarHBondContact O-N 3.3Å
245A58.1Low66.6Low66 Ų66122.5 Ų122.555%0.54564%0.635SS.*SBendtrans-57.6131.3166.900000108.4R247A245-R247 PolarHBondContact O-N 3.15Å
246P60.4Low68.2Low102 Ų102117.4 Ų117.466%0.66261%0.612SS**  trans-56.9117.3176.922.2-30.1000106.9T248P246-T248 HydrophobicContact CB-CG2 4.46Å; P246-T248 PolarHBondContact O-N 2.89Å
247R66.3Low70.1Confident229 Ų229114.7 Ų114.786%0.86461%0.612SS**  trans-60.793174.1-73.7-177.8179.1165.9-0.5106.9A245A245-R247 PolarHBondContact O-N 3.15Å
248T83.2Confident72Confident63 Ų63114.4 Ų114.439%0.38760%0.598SS.*PPolyproline II helixtrans-88.1141.4179.144.10000108.3P246 M259 F260P246-T248 HydrophobicContact CB-CG2 4.46Å; P246-T248 PolarHBondContact O-N 2.89Å; T248-M259 WeakPolarHBondContact OG1-CE 3.23Å; T248-F260 CarbonylContact C-O 3.53Å; T248-F260 WeakPolarHBondContact CA-O 3.39Å; T248-F260 WeakPolarHBondContact CB-O 3.42Å
249I86.4Confident74.1Confident60 Ų60109.6 Ų109.631%0.30859%0.586SS.*EExtended strand (participates in β ladder)trans-104118.8-176.3-62.1159.2000106.9M259 F260 D262 N263 M266I249-M259 CarbonylContact O-C 3.23Å; I249-M259 WeakPolarHBondContact O-CA 3.3Å; I249-F260 PolarHBondContact N-O 3.15Å; I249-F260 PolarHBondContact O-N 3.33Å; I249-D262 VanDerWaalsContact CD1-C 3.48Å; I249-N263 HydrophobicContact CD1-CB 3.84Å; I249-N263 VanDerWaalsContact CD1-N 3.26Å; I249-M266 HydrophobicContact CG2-CB 4.2Å; I249-M266 HydrophobicContact CG2-CE 4.49Å; I249-M266 HydrophobicContact CG2-CG 3.97Å
250A89.4Confident76.2Confident58 Ų58101.9 Ų101.948%0.47955%0.553SS.*EExtended strand (participates in β ladder)trans-73.8149.817500000111P252A250-P252 WeakPolarHBondContact O-CD 3.49Å
251C91.6Very high78.1Confident11 Ų11107.8 Ų107.87%0.07456%0.563CS.*PPolyproline II helixtrans-64.1130.6170.2-172.20000110.2H253 C256 K258 F260C251-H253 PolarHBondContact O-N 3.47Å; C251-H253 VanDerWaalsContact SG-CB 3.59Å; C251-H253 PolarHBondContact SG-N 3.11Å; C251-H253 VanDerWaalsContact SG-N 3.44Å; C251-C256 HydrophobicContact CB-CB 3.93Å; C251-K258 PolarHBondContact N-O 3.05Å; C251-F260 HydrophobicContact CB-CE2 4.26Å
252P88.1Confident79.8Confident100 Ų100104.5 Ų104.565%0.64955%0.553SS**  trans-70.1-14.5174.4-21.333.5000114.4A250 K254 M266A250-P252 WeakPolarHBondContact O-CD 3.49Å; P252-K254 PolarHBondContact O-N 2.99Å; P252-M266 VanDerWaalsContact CD-SD 3.51Å; P252-M266 HydrophobicContact CG-SD 4.12Å
253H88.6Confident81.3Confident82 Ų8298.7 Ų98.738%0.3853%0.528SS..SBendtrans-68.2128.4-175.6-17379.5000111.3C251 G255 C256 L270 H273C251-H253 PolarHBondContact O-N 3.47Å; C251-H253 VanDerWaalsContact SG-CB 3.59Å; C251-H253 PolarHBondContact SG-N 3.11Å; C251-H253 VanDerWaalsContact SG-N 3.44Å; H253-G255 PolarHBondContact O-N 3.47Å; H253-C256 HydrophobicContact CB-CB 3.99Å; H253-C256 WeakPolarHBondContact O-CB 3.34Å; H253-C256 PolarHBondContact O-N 3.45Å; H253-L270 HydrophobicContact CB-CD1 4.31Å; H253-H273 HydrophobicContact CB-CB 4.28Å; H253-H273 VanDerWaalsContact CB-CD2 3.47Å; H253-H273 WeakPolarHBondContact CB-CD2 3.24Å; H253-H273 AromaticContact CD2-CE1 3.71Å; H253-H273 AromaticContact CD2-CG 3.65Å; H253-H273 AromaticContact CD2-ND1 3.41Å; H253-H273 PolarHBondContact CD2-ND1 2.78Å; H253-H273 AromaticContact CG-CD2 3.7Å; H253-H273 AromaticContact CG-CG 3.45Å; H253-H273 VanDerWaalsContact CG-CG 3.45Å; H253-H273 AromaticContact CG-ND1 3.74Å; H253-H273 AromaticContact ND1-CG 3.78Å; H253-H273 AromaticContact NE2-ND1 3.77Å
254K89.1Confident82.9Confident200 Ų20095 Ų9587%0.8751%0.513SS*.THydrogen-bonded Turntrans-60.3123-178.8-173.9-175.6177.6-173.90110P252 C256P252-K254 PolarHBondContact O-N 2.99Å; K254-C256 VanDerWaalsContact C-N 3.33Å
255G88.4Confident84.6Confident80 Ų8092.8 Ų92.883%0.82551%0.506SS*.THydrogen-bonded Turntrans88.9-6.6-178.300000114.4H253H253-G255 PolarHBondContact O-N 3.47Å
256C91Very high86.1Confident23 Ų2390.3 Ų90.316%0.15548%0.483CS..  trans-88.4120.3171.6-169.40000111.1C251 H253 K254 H269 H273C251-C256 HydrophobicContact CB-CB 3.93Å; H253-C256 HydrophobicContact CB-CB 3.99Å; H253-C256 WeakPolarHBondContact O-CB 3.34Å; H253-C256 PolarHBondContact O-N 3.45Å; K254-C256 VanDerWaalsContact C-N 3.33Å; C256-H269 PolarHBondContact SG-NE2 2.76Å; C256-H273 PolarHBondContact SG-NE2 3.06Å; C256-H273 VanDerWaalsContact SG-NE2 3.37Å
257T90.9Very high87.3Confident134 Ų13493.7 Ų93.782%0.82248%0.483SS*.  trans-95.65.6178.356.60000113.3
258K90.1Very high88.2Confident112 Ų11290.3 Ų90.349%0.48748%0.475SS..  trans-69.9138.2-176-63.3-165.3-173.4-170.90111.2C251 F260C251-K258 PolarHBondContact N-O 3.05Å; K258-F260 HydrophobicContact CB-CE2 3.73Å; K258-F260 HydrophobicContact CB-CZ 3.71Å; K258-F260 HydrophobicContact CD-CZ 4.4Å
259M90.8Very high88.4Confident117 Ų11788.2 Ų88.258%0.57646%0.46SS*.EExtended strand (participates in β ladder)trans-121.2146177.2-59.1-174.38000110.4T248 I249T248-M259 WeakPolarHBondContact OG1-CE 3.23Å; I249-M259 CarbonylContact O-C 3.23Å; I249-M259 WeakPolarHBondContact O-CA 3.3Å
260F89.1Confident88.4Confident34 Ų3488.7 Ų88.715%0.14946%0.463CS..EExtended strand (participates in β ladder)trans-126.8151.5-171.7-61.3-85000111.2T248 I249 C251 K258 D262 A265 M266 H269T248-F260 CarbonylContact C-O 3.53Å; T248-F260 WeakPolarHBondContact CA-O 3.39Å; T248-F260 WeakPolarHBondContact CB-O 3.42Å; I249-F260 PolarHBondContact N-O 3.15Å; I249-F260 PolarHBondContact O-N 3.33Å; C251-F260 HydrophobicContact CB-CE2 4.26Å; K258-F260 HydrophobicContact CB-CE2 3.73Å; K258-F260 HydrophobicContact CB-CZ 3.71Å; K258-F260 HydrophobicContact CD-CZ 4.4Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 WeakPolarHBondContact CB-O 3.4Å; F260-A265 HydrophobicContact CB-CB 4.36Å; F260-A265 HydrophobicContact CD1-CB 3.84Å; F260-A265 HydrophobicContact CG-CB 4.46Å; F260-M266 HydrophobicContact CB-CB 3.83Å; F260-M266 HydrophobicContact CD2-CB 3.54Å; F260-M266 HydrophobicContact CD2-CG 3.76Å; F260-M266 HydrophobicContact CE2-CB 4.36Å; F260-M266 HydrophobicContact CE2-CG 4.32Å; F260-M266 HydrophobicContact CG-CB 3.69Å; F260-M266 HydrophobicContact CG-CG 4.43Å; F260-H269 HydrophobicContact CE1-CB 3.55Å; F260-H269 AromaticContact CE1-CG 3.94Å; F260-H269 HydrophobicContact CE2-CB 4.01Å; F260-H269 AromaticContact CE2-CD2 3.36Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.47Å; F260-H269 AromaticContact CE2-CG 3.86Å; F260-H269 HydrophobicContact CZ-CB 3.28Å; F260-H269 AromaticContact CZ-CD2 3.14Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.19Å
261R87.6Confident88.1Confident232 Ų23290.5 Ų90.588%0.87546%0.461SS*.SBendtrans-72.8-29.8177.1-63.1179.9-177.1136.3-0.5112.1
262D86.2Confident87.8Confident77 Ų7793.2 Ų93.241%0.41248%0.478SS..SBendtrans-142.6165.8-178.368.10.8000112.2I249 F260 S264 A265 M266I249-D262 VanDerWaalsContact CD1-C 3.48Å; F260-D262 VanDerWaalsContact C-N 3.33Å; F260-D262 WeakPolarHBondContact CB-O 3.4Å; D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 2.96Å; D262-A265 WeakPolarHBondContact OD1-CA 3.42Å; D262-A265 WeakPolarHBondContact OD1-CB 3.44Å; D262-A265 PolarHBondContact OD1-N 3.36Å; D262-M266 PolarHBondContact O-N 2.8Å
263N85.1Confident87.7Confident70 Ų7091.4 Ų91.437%0.37446%0.461SS..Hα-helixtrans-71.1-28.9-178.9-163.6-12.2000110.9I249 M266 R267I249-N263 HydrophobicContact CD1-CB 3.84Å; I249-N263 VanDerWaalsContact CD1-N 3.26Å; N263-M266 PolarHBondContact O-N 3.3Å; N263-M266 WeakPolarHBondContact OD1-CE 3.48Å; N263-R267 WeakPolarHBondContact O-CB 3.33Å; N263-R267 WeakPolarHBondContact O-CG 3.18Å; N263-R267 PolarHBondContact O-N 3.37Å
264S87.6Confident87.4Confident62 Ų6288.6 Ų88.643%0.43445%0.453SS..Hα-helixtrans-63.5-49.7177.3-171.50000111.5D262 M266 R267 K268D262-S264 VanDerWaalsContact C-N 3.28Å; D262-S264 PolarHBondContact O-N 2.96Å; S264-M266 PolarHBondContact O-N 3.43Å; S264-R267 PolarHBondContact O-N 3.1Å; S264-K268 WeakPolarHBondContact O-CG 3.47Å; S264-K268 PolarHBondContact O-N 2.96Å
265A88.3Confident87.2Confident37 Ų3783.9 Ų83.931%0.30644%0.444SS..Hα-helixtrans-65.6-38.9176.600000111.8F260 D262 K268 H269F260-A265 HydrophobicContact CB-CB 4.36Å; F260-A265 HydrophobicContact CD1-CB 3.84Å; F260-A265 HydrophobicContact CG-CB 4.46Å; D262-A265 WeakPolarHBondContact OD1-CA 3.42Å; D262-A265 WeakPolarHBondContact OD1-CB 3.44Å; D262-A265 PolarHBondContact OD1-N 3.36Å; A265-K268 PolarHBondContact O-N 3.47Å; A265-H269 WeakPolarHBondContact O-CB 3.41Å; A265-H269 PolarHBondContact O-N 3.46Å
266M90.1Very high87.2Confident13 Ų1386.5 Ų86.56%0.06443%0.428CS..Hα-helixtrans-61.7-44.4174.5-179.4-75.6-49.200111.7I249 P252 F260 D262 N263 S264 H269 L270I249-M266 HydrophobicContact CG2-CB 4.2Å; I249-M266 HydrophobicContact CG2-CE 4.49Å; I249-M266 HydrophobicContact CG2-CG 3.97Å; P252-M266 VanDerWaalsContact CD-SD 3.51Å; P252-M266 HydrophobicContact CG-SD 4.12Å; F260-M266 HydrophobicContact CB-CB 3.83Å; F260-M266 HydrophobicContact CD2-CB 3.54Å; F260-M266 HydrophobicContact CD2-CG 3.76Å; F260-M266 HydrophobicContact CE2-CB 4.36Å; F260-M266 HydrophobicContact CE2-CG 4.32Å; F260-M266 HydrophobicContact CG-CB 3.69Å; F260-M266 HydrophobicContact CG-CG 4.43Å; D262-M266 PolarHBondContact O-N 2.8Å; N263-M266 PolarHBondContact O-N 3.3Å; N263-M266 WeakPolarHBondContact OD1-CE 3.48Å; S264-M266 PolarHBondContact O-N 3.43Å; M266-H269 CarbonylContact O-C 3.47Å; M266-H269 WeakPolarHBondContact O-CB 3.3Å; M266-H269 PolarHBondContact O-N 3.37Å; M266-L270 PolarHBondContact O-N 2.75Å; M266-L270 HydrophobicContact SD-CB 4.49Å
267R85.3Confident87Confident174 Ų17489.9 Ų89.966%0.65745%0.448SS*.Hα-helixtrans-63.7-43177.6-81.1-177177.9155.8-1.6112.2N263 S264 H269 L270 H271N263-R267 WeakPolarHBondContact O-CB 3.33Å; N263-R267 WeakPolarHBondContact O-CG 3.18Å; N263-R267 PolarHBondContact O-N 3.37Å; S264-R267 PolarHBondContact O-N 3.1Å; R267-H269 VanDerWaalsContact C-N 3.28Å; R267-H269 PolarHBondContact O-N 3.34Å; R267-L270 WeakPolarHBondContact O-CB 3.44Å; R267-L270 PolarHBondContact O-N 2.79Å; R267-L270 VanDerWaalsContact O-N 3.16Å; R267-H271 PolarHBondContact O-N 3.28Å
268K85.6Confident87Confident157 Ų15786.3 Ų86.368%0.68342%0.422SS*.Hα-helixtrans-60.1-42.1173.9-72.2178.4-178.9-175.30111.1S264 A265 H271S264-K268 WeakPolarHBondContact O-CG 3.47Å; S264-K268 PolarHBondContact O-N 2.96Å; A265-K268 PolarHBondContact O-N 3.47Å; K268-H271 WeakPolarHBondContact O-CB 3.31Å; K268-H271 PolarHBondContact O-N 3.22Å
269H87.6Confident87.1Confident19 Ų1984.9 Ų84.99%0.08842%0.423CS..Hα-helixtrans-65.8-38.5174170.354.3000112.7C256 F260 A265 M266 R267 H271 T272 H273C256-H269 PolarHBondContact SG-NE2 2.76Å; F260-H269 HydrophobicContact CE1-CB 3.55Å; F260-H269 AromaticContact CE1-CG 3.94Å; F260-H269 HydrophobicContact CE2-CB 4.01Å; F260-H269 AromaticContact CE2-CD2 3.36Å; F260-H269 WeakPolarHBondContact CE2-CD2 3.47Å; F260-H269 AromaticContact CE2-CG 3.86Å; F260-H269 HydrophobicContact CZ-CB 3.28Å; F260-H269 AromaticContact CZ-CD2 3.14Å; F260-H269 WeakPolarHBondContact CZ-CD2 3.49Å; F260-H269 AromaticContact CZ-CG 3.19Å; A265-H269 WeakPolarHBondContact O-CB 3.41Å; A265-H269 PolarHBondContact O-N 3.46Å; M266-H269 CarbonylContact O-C 3.47Å; M266-H269 WeakPolarHBondContact O-CB 3.3Å; M266-H269 PolarHBondContact O-N 3.37Å; R267-H269 VanDerWaalsContact C-N 3.28Å; R267-H269 PolarHBondContact O-N 3.34Å; H269-H271 PolarHBondContact O-N 2.9Å; H269-H271 VanDerWaalsContact O-N 3.1Å; H269-T272 PolarHBondContact CE1-OG1 3.45Å; H269-T272 VanDerWaalsContact CE1-OG1 3.24Å; H269-T272 PolarHBondContact ND1-OG1 2.99Å; H269-T272 VanDerWaalsContact ND1-OG1 3.13Å; H269-T272 WeakPolarHBondContact O-CB 3.41Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å; H269-T272 PolarHBondContact O-N 3.3Å; H269-T272 PolarHBondContact O-OG1 3.45Å; H269-H273 AromaticContact CD2-NE2 3.9Å; H269-H273 AromaticContact CE1-CD2 3.94Å; H269-H273 AromaticContact CE1-CE1 3.88Å; H269-H273 AromaticContact CE1-NE2 3.21Å; H269-H273 PolarHBondContact CE1-NE2 3.39Å; H269-H273 AromaticContact NE2-CD2 3.7Å; H269-H273 AromaticContact NE2-CE1 3.91Å; H269-H273 AromaticContact NE2-NE2 2.93Å; H269-H273 PolarHBondContact NE2-NE2 3.41Å
270L85.6Confident87.1Confident70 Ų7079.4 Ų79.437%0.36640%0.396SS..Hα-helixtrans-57.7-30.5-179.6-172.662.8000111.8H253 M266 R267 T272 H273 G274H253-L270 HydrophobicContact CB-CD1 4.31Å; M266-L270 PolarHBondContact O-N 2.75Å; M266-L270 HydrophobicContact SD-CB 4.49Å; R267-L270 WeakPolarHBondContact O-CB 3.44Å; R267-L270 PolarHBondContact O-N 2.79Å; R267-L270 VanDerWaalsContact O-N 3.16Å; L270-T272 PolarHBondContact O-N 3.02Å; L270-H273 PolarHBondContact O-N 2.9Å; L270-G274 PolarHBondContact O-N 3.5Å
271H82.8Confident87.2Confident96 Ų9682.8 Ų82.844%0.44443%0.43SS..Hα-helixtrans-56.7-33.6172.6-169.758.4000112.4R267 K268 H269 H273 G274 V288R267-H271 PolarHBondContact O-N 3.28Å; K268-H271 WeakPolarHBondContact O-CB 3.31Å; K268-H271 PolarHBondContact O-N 3.22Å; H269-H271 PolarHBondContact O-N 2.9Å; H269-H271 VanDerWaalsContact O-N 3.1Å; H271-H273 PolarHBondContact O-N 3.39Å; H271-H273 VanDerWaalsContact O-N 3.17Å; H271-G274 WeakPolarHBondContact O-CA 3.33Å; H271-G274 PolarHBondContact O-N 3.27Å; H271-V288 PolarHBondContact NE2-O 3.23Å; H271-V288 WeakPolarHBondContact O-CG1 3.37Å
272T86.5Confident87.3Confident68 Ų6877.8 Ų77.842%0.41742%0.417SS..THydrogen-bonded Turntrans-64.6-20.6177.873.90000113.5H269 L270H269-T272 PolarHBondContact CE1-OG1 3.45Å; H269-T272 VanDerWaalsContact CE1-OG1 3.24Å; H269-T272 PolarHBondContact ND1-OG1 2.99Å; H269-T272 VanDerWaalsContact ND1-OG1 3.13Å; H269-T272 WeakPolarHBondContact O-CB 3.41Å; H269-T272 WeakPolarHBondContact O-CG2 3.37Å; H269-T272 PolarHBondContact O-N 3.3Å; H269-T272 PolarHBondContact O-OG1 3.45Å; L270-T272 PolarHBondContact O-N 3.02Å
273H85.8Confident87.5Confident63 Ų6376.8 Ų76.829%0.29242%0.415SS..THydrogen-bonded Turntrans-93.5-1.2172.6-58.2-61.7000112.9H253 C256 H269 L270 H271H253-H273 HydrophobicContact CB-CB 4.28Å; H253-H273 VanDerWaalsContact CB-CD2 3.47Å; H253-H273 WeakPolarHBondContact CB-CD2 3.24Å; H253-H273 AromaticContact CD2-CE1 3.71Å; H253-H273 AromaticContact CD2-CG 3.65Å; H253-H273 AromaticContact CD2-ND1 3.41Å; H253-H273 PolarHBondContact CD2-ND1 2.78Å; H253-H273 AromaticContact CG-CD2 3.7Å; H253-H273 AromaticContact CG-CG 3.45Å; H253-H273 VanDerWaalsContact CG-CG 3.45Å; H253-H273 AromaticContact CG-ND1 3.74Å; H253-H273 AromaticContact ND1-CG 3.78Å; H253-H273 AromaticContact NE2-ND1 3.77Å; C256-H273 PolarHBondContact SG-NE2 3.06Å; C256-H273 VanDerWaalsContact SG-NE2 3.37Å; H269-H273 AromaticContact CD2-NE2 3.9Å; H269-H273 AromaticContact CE1-CD2 3.94Å; H269-H273 AromaticContact CE1-CE1 3.88Å; H269-H273 AromaticContact CE1-NE2 3.21Å; H269-H273 PolarHBondContact CE1-NE2 3.39Å; H269-H273 AromaticContact NE2-CD2 3.7Å; H269-H273 AromaticContact NE2-CE1 3.91Å; H269-H273 AromaticContact NE2-NE2 2.93Å; H269-H273 PolarHBondContact NE2-NE2 3.41Å; L270-H273 PolarHBondContact O-N 2.9Å; H271-H273 PolarHBondContact O-N 3.39Å; H271-H273 VanDerWaalsContact O-N 3.17Å
274G82.3Confident87.7Confident22 Ų2275.9 Ų75.923%0.22742%0.422CS..SBendtrans-70.6170.3178.500000112.6L270 H271L270-G274 PolarHBondContact O-N 3.5Å; H271-G274 WeakPolarHBondContact O-CA 3.33Å; H271-G274 PolarHBondContact O-N 3.27Å
275P84.2Confident87.8Confident102 Ų10278.8 Ų78.866%0.66243%0.427SS*.  trans-61.8139.1177.827.2-34.1000110.7V277P275-V277 VanDerWaalsContact C-N 3.26Å; P275-V277 HydrophobicContact CB-CG1 3.87Å; P275-V277 HydrophobicContact CG-CG1 3.89Å; P275-V277 PolarHBondContact O-N 3.01Å
276R88.8Confident87.8Confident134 Ų13478.4 Ų78.451%0.50642%0.424SS..  trans-81.674.9175.8-62.1178.378.9112.7-3.9109.2A286 F287 V288R276-A286 HydrophobicContact CB-CB 3.73Å; R276-A286 PolarHBondContact NE-O 3.31Å; R276-A286 PolarHBondContact NH2-O 3.42Å; R276-F287 CarbonylContact C-O 3.59Å; R276-F287 VanDerWaalsContact C-O 3.26Å; R276-F287 VanDerWaalsContact CA-O 3.28Å; R276-F287 WeakPolarHBondContact CA-O 3.41Å; R276-V288 HydrophobicContact CG-CG2 3.67Å
277V87.1Confident87.7Confident95 Ų9579.4 Ų79.458%0.57643%0.428SS*.  trans-79-16.8-173-61.60000113.8P275 V279 F287P275-V277 VanDerWaalsContact C-N 3.26Å; P275-V277 HydrophobicContact CB-CG1 3.87Å; P275-V277 HydrophobicContact CG-CG1 3.89Å; P275-V277 PolarHBondContact O-N 3.01Å; V277-V279 PolarHBondContact O-N 3Å; V277-F287 PolarHBondContact N-O 3.48Å
278H90.7Very high87.9Confident59 Ų5972 Ų7227%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-93.696.6-176.9-60.7-66.4000110.5A286 F287 V288 S290 L293H278-A286 CarbonylContact O-C 3.56Å; H278-A286 WeakPolarHBondContact O-CA 3.48Å; H278-F287 HydrophobicContact CB-CB 4.31Å; H278-F287 WeakPolarHBondContact CB-O 3.5Å; H278-F287 PolarHBondContact N-O 2.97Å; H278-F287 PolarHBondContact O-N 2.84Å; H278-V288 PolarHBondContact CD2-O 2.93Å; H278-V288 VanDerWaalsContact CD2-O 3.27Å; H278-S290 PolarHBondContact CD2-N 3.3Å; H278-S290 PolarHBondContact NE2-N 3.09Å; H278-L293 HydrophobicContact CB-CB 3.99Å; H278-L293 HydrophobicContact CB-CD2 3.85Å
279V92.1Very high87.9Confident82 Ų8267.8 Ų67.850%0.49739%0.385SS..EExtended strand (participates in β ladder)trans-96.6133.8-176.8-173.30000110.8V277 A281 A286V277-V279 PolarHBondContact O-N 3Å; V279-A281 PolarHBondContact O-N 3.35Å; V279-A286 HydrophobicContact CG2-CB 4.06Å
280C91.1Very high87.9Confident2 Ų269.7 Ų69.71%0.01440%0.401CS..  trans-73.3121.4170.7-177.80000109.9E282 C283 G284 K285 L293C280-E282 PolarHBondContact O-N 3.13Å; C280-C283 VanDerWaalsContact SG-SG 3.61Å; C280-G284 WeakPolarHBondContact O-CA 3.32Å; C280-G284 PolarHBondContact O-N 3.23Å; C280-K285 HydrophobicContact CB-CB 4.44Å; C280-K285 WeakPolarHBondContact CB-O 3.43Å; C280-K285 PolarHBondContact N-O 3.43Å; C280-L293 HydrophobicContact CB-CD1 3.62Å
281A91.7Very high88.1Confident105 Ų10569.5 Ų69.587%0.86841%0.405SS*.THydrogen-bonded Turntrans-64.8-27.7178.200000112.9V279V279-A281 PolarHBondContact O-N 3.35Å
282E89.3Confident88.4Confident127 Ų12768.8 Ų68.859%0.59340%0.401SS*.THydrogen-bonded Turntrans-82.4-35.1-174.9-62.7-170-145.200113.7C280 H300C280-E282 PolarHBondContact O-N 3.13Å; E282-H300 IonicContact OE1-CG 3.71Å; E282-H300 WeakPolarHBondContact OE2-CB 3.44Å; E282-H300 IonicContact OE2-CD2 3.97Å; E282-H300 IonicContact OE2-CE1 3.17Å; E282-H300 IonicContact OE2-CG 3.99Å; E282-H300 IonicContact OE2-ND1 3.88Å; E282-H300 PolarHBondContact OE2-ND1 3.38Å
283C90.6Very high88.6Confident55 Ų5566.6 Ų66.637%0.37239%0.386SS..THydrogen-bonded Turntrans-129.63-175.868.80000114.7C280 K285 H296 H300C280-C283 VanDerWaalsContact SG-SG 3.61Å; C283-K285 PolarHBondContact O-N 3.39Å; C283-K285 VanDerWaalsContact O-N 3.11Å; C283-K285 VanDerWaalsContact SG-CG 3.55Å; C283-H296 PolarHBondContact SG-NE2 2.74Å; C283-H300 PolarHBondContact SG-NE2 2.77Å; C283-H300 VanDerWaalsContact SG-NE2 3.39Å
284G88.9Confident88.8Confident51 Ų5170.5 Ų70.553%0.52640%0.402SS..  trans69.72.2179.600000115C280 A286C280-G284 WeakPolarHBondContact O-CA 3.32Å; C280-G284 PolarHBondContact O-N 3.23Å; G284-A286 PolarHBondContact O-N 3.36Å
285K89.8Confident89.1Confident123 Ų12373.1 Ų73.154%0.53541%0.405SS..  trans-65.4125.9178.6-74.2-179.5-177.3179.10110.6C280 C283 F287C280-K285 HydrophobicContact CB-CB 4.44Å; C280-K285 WeakPolarHBondContact CB-O 3.43Å; C280-K285 PolarHBondContact N-O 3.43Å; C283-K285 PolarHBondContact O-N 3.39Å; C283-K285 VanDerWaalsContact O-N 3.11Å; C283-K285 VanDerWaalsContact SG-CG 3.55Å; K285-F287 HydrophobicContact CB-CE2 3.81Å; K285-F287 HydrophobicContact CB-CZ 3.98Å; K285-F287 WeakPolarHBondContact O-CD2 3.41Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å
286A87.5Confident89.4Confident30 Ų3069.3 Ų69.325%0.24838%0.378CS..EExtended strand (participates in β ladder)trans-96.9144.5179.600000111.8R276 H278 V279 G284R276-A286 HydrophobicContact CB-CB 3.73Å; R276-A286 PolarHBondContact NE-O 3.31Å; R276-A286 PolarHBondContact NH2-O 3.42Å; H278-A286 CarbonylContact O-C 3.56Å; H278-A286 WeakPolarHBondContact O-CA 3.48Å; V279-A286 HydrophobicContact CG2-CB 4.06Å; G284-A286 PolarHBondContact O-N 3.36Å
287F88.8Confident89.4Confident33 Ų3366.7 Ų66.715%0.14537%0.372CS..EExtended strand (participates in β ladder)trans-131.9148.6-179.8-58.6-89.6000110.6R276 V277 H278 K285 K292 L293 H296R276-F287 CarbonylContact C-O 3.59Å; R276-F287 VanDerWaalsContact C-O 3.26Å; R276-F287 VanDerWaalsContact CA-O 3.28Å; R276-F287 WeakPolarHBondContact CA-O 3.41Å; V277-F287 PolarHBondContact N-O 3.48Å; H278-F287 HydrophobicContact CB-CB 4.31Å; H278-F287 WeakPolarHBondContact CB-O 3.5Å; H278-F287 PolarHBondContact N-O 2.97Å; H278-F287 PolarHBondContact O-N 2.84Å; K285-F287 HydrophobicContact CB-CE2 3.81Å; K285-F287 HydrophobicContact CB-CZ 3.98Å; K285-F287 WeakPolarHBondContact O-CD2 3.41Å; K285-F287 WeakPolarHBondContact O-CE2 3.4Å; F287-K292 HydrophobicContact CB-CB 4.14Å; F287-K292 HydrophobicContact CD1-CB 3.91Å; F287-K292 HydrophobicContact CG-CB 4.25Å; F287-L293 HydrophobicContact CB-CB 4.39Å; F287-L293 HydrophobicContact CD2-CB 3.89Å; F287-L293 HydrophobicContact CD2-CD1 3.83Å; F287-L293 HydrophobicContact CD2-CG 4.46Å; F287-L293 HydrophobicContact CE2-CD1 3.94Å; F287-L293 HydrophobicContact CG-CB 4.34Å; F287-H296 HydrophobicContact CE1-CB 4.09Å; F287-H296 HydrophobicContact CE2-CB 3.9Å; F287-H296 AromaticContact CE2-CD2 3.41Å; F287-H296 VanDerWaalsContact CE2-CD2 3.41Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.25Å; F287-H296 AromaticContact CE2-CG 3.7Å; F287-H296 HydrophobicContact CZ-CB 3.49Å; F287-H296 VanDerWaalsContact CZ-CB 3.49Å; F287-H296 AromaticContact CZ-CD2 3.47Å; F287-H296 VanDerWaalsContact CZ-CD2 3.47Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.38Å; F287-H296 AromaticContact CZ-CG 3.3Å; F287-H296 AromaticContact CZ-ND1 3.91Å
288V88.3Confident89.5Confident19 Ų1963.7 Ų63.712%0.11535%0.353CS..SBendtrans-70.2-39.2175176.30000111.4H271 R276 H278H271-V288 PolarHBondContact NE2-O 3.23Å; H271-V288 WeakPolarHBondContact O-CG1 3.37Å; R276-V288 HydrophobicContact CG-CG2 3.67Å; H278-V288 PolarHBondContact CD2-O 2.93Å; H278-V288 VanDerWaalsContact CD2-O 3.27Å
289E86.5Confident89.5Confident68 Ų6864.2 Ų64.232%0.31836%0.36SS..SBendtrans-113.8138.5-175-65.7173.2-17000110.8S291 K292 L293E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 3.41Å; E289-S291 PolarHBondContact OE2-OG 3.17Å; E289-K292 HydrophobicContact CB-CB 4.38Å; E289-K292 HydrophobicContact CB-CG 3.9Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.21Å; E289-K292 VanDerWaalsContact O-N 3.13Å; E289-L293 PolarHBondContact O-N 2.79Å
290S88.7Confident89.4Confident60 Ų6063.4 Ų63.442%0.4235%0.35SS..Hα-helixtrans-62.9-33.3177.261.50000112.7H278 K292 L293 K294H278-S290 PolarHBondContact CD2-N 3.3Å; H278-S290 PolarHBondContact NE2-N 3.09Å; S290-K292 VanDerWaalsContact C-N 3.26Å; S290-K292 PolarHBondContact O-N 3.37Å; S290-L293 PolarHBondContact O-N 3.13Å; S290-K294 PolarHBondContact O-N 2.82Å
291S88.9Confident89.3Confident65 Ų6567 Ų6746%0.45537%0.372SS..Hα-helixtrans-60.6-36.5175.362.30000111.9E289 R295E289-S291 VanDerWaalsContact C-N 3.26Å; E289-S291 PolarHBondContact O-N 3.41Å; E289-S291 PolarHBondContact OE2-OG 3.17Å; S291-R295 VanDerWaalsContact O-CB 3.29Å; S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.1Å
292K88.9Confident89.1Confident82 Ų8264.1 Ų64.136%0.35735%0.353SS..Hα-helixtrans-70.8-39.4177-63.9-72.3-174.6163.90111.2F287 E289 S290 R295 H296F287-K292 HydrophobicContact CB-CB 4.14Å; F287-K292 HydrophobicContact CD1-CB 3.91Å; F287-K292 HydrophobicContact CG-CB 4.25Å; E289-K292 HydrophobicContact CB-CB 4.38Å; E289-K292 HydrophobicContact CB-CG 3.9Å; E289-K292 WeakPolarHBondContact O-CB 3.32Å; E289-K292 PolarHBondContact O-N 3.21Å; E289-K292 VanDerWaalsContact O-N 3.13Å; S290-K292 VanDerWaalsContact C-N 3.26Å; S290-K292 PolarHBondContact O-N 3.37Å; K292-R295 PolarHBondContact O-N 3.04Å; K292-H296 VanDerWaalsContact O-CB 3.3Å; K292-H296 WeakPolarHBondContact O-CB 3.47Å; K292-H296 PolarHBondContact O-N 3.36Å
293L90.5Very high89.2Confident22 Ų2263.7 Ų63.712%0.11535%0.351CS..Hα-helixtrans-62.7-49.9172.5173.561.5000111.5H278 C280 F287 E289 S290 R295 H296 Q297H278-L293 HydrophobicContact CB-CB 3.99Å; H278-L293 HydrophobicContact CB-CD2 3.85Å; C280-L293 HydrophobicContact CB-CD1 3.62Å; F287-L293 HydrophobicContact CB-CB 4.39Å; F287-L293 HydrophobicContact CD2-CB 3.89Å; F287-L293 HydrophobicContact CD2-CD1 3.83Å; F287-L293 HydrophobicContact CD2-CG 4.46Å; F287-L293 HydrophobicContact CE2-CD1 3.94Å; F287-L293 HydrophobicContact CG-CB 4.34Å; E289-L293 PolarHBondContact O-N 2.79Å; S290-L293 PolarHBondContact O-N 3.13Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 3.24Å; L293-H296 CarbonylContact O-C 3.52Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.48Å; L293-H296 PolarHBondContact O-N 3.26Å; L293-Q297 HydrophobicContact CD1-CG 4.47Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.4Å
294K89.6Confident89.2Confident144 Ų14466.1 Ų66.163%0.62636%0.355SS*.Hα-helixtrans-56.1-42.8176.7-74.4-176.8178.7-177.30111.9S290 H296 Q297S290-K294 PolarHBondContact O-N 2.82Å; K294-H296 VanDerWaalsContact C-N 3.34Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 3.2Å
295R89.3Confident89.2Confident77 Ų7766.9 Ų66.929%0.29135%0.351SS..Hα-helixtrans-63.1-42175.7-171176.467.9158.113.6112D49 S291 K292 L293 Q297 L298 L319D49-R295 IonicContact OD1-NH2 3.03Å; S291-R295 VanDerWaalsContact O-CB 3.29Å; S291-R295 WeakPolarHBondContact O-CB 3.33Å; S291-R295 PolarHBondContact O-N 3.1Å; K292-R295 PolarHBondContact O-N 3.04Å; L293-R295 VanDerWaalsContact C-N 3.26Å; L293-R295 PolarHBondContact O-N 3.24Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 3.15Å; R295-L298 VanDerWaalsContact O-CB 3.31Å; R295-L298 WeakPolarHBondContact O-CB 3.41Å; R295-L298 WeakPolarHBondContact O-CG 3.47Å; R295-L298 PolarHBondContact O-N 3.13Å; R295-L319 VanDerWaalsContact CD-CD2 3.44Å; R295-L319 HydrophobicContact CG-CD1 4.34Å; R295-L319 HydrophobicContact CG-CD2 3.29Å; R295-L319 HydrophobicContact CG-CG 4.45Å
296H90.3Very high89.3Confident22 Ų2264.5 Ų64.510%0.10234%0.341CS..Hα-helixtrans-65.2-34.3177.9170.360.5000112.3C283 F287 K292 L293 K294 L298 V299 H300C283-H296 PolarHBondContact SG-NE2 2.74Å; F287-H296 HydrophobicContact CE1-CB 4.09Å; F287-H296 HydrophobicContact CE2-CB 3.9Å; F287-H296 AromaticContact CE2-CD2 3.41Å; F287-H296 VanDerWaalsContact CE2-CD2 3.41Å; F287-H296 WeakPolarHBondContact CE2-CD2 3.25Å; F287-H296 AromaticContact CE2-CG 3.7Å; F287-H296 HydrophobicContact CZ-CB 3.49Å; F287-H296 VanDerWaalsContact CZ-CB 3.49Å; F287-H296 AromaticContact CZ-CD2 3.47Å; F287-H296 VanDerWaalsContact CZ-CD2 3.47Å; F287-H296 WeakPolarHBondContact CZ-CD2 3.38Å; F287-H296 AromaticContact CZ-CG 3.3Å; F287-H296 AromaticContact CZ-ND1 3.91Å; K292-H296 VanDerWaalsContact O-CB 3.3Å; K292-H296 WeakPolarHBondContact O-CB 3.47Å; K292-H296 PolarHBondContact O-N 3.36Å; L293-H296 CarbonylContact O-C 3.52Å; L293-H296 WeakPolarHBondContact O-CA 3.41Å; L293-H296 WeakPolarHBondContact O-CB 3.48Å; L293-H296 PolarHBondContact O-N 3.26Å; K294-H296 VanDerWaalsContact C-N 3.34Å; H296-L298 PolarHBondContact O-N 3.24Å; H296-L298 VanDerWaalsContact O-N 3.11Å; H296-V299 VanDerWaalsContact O-CB 3.26Å; H296-V299 WeakPolarHBondContact O-CB 3.38Å; H296-V299 WeakPolarHBondContact O-CG2 3.35Å; H296-V299 PolarHBondContact O-N 3.34Å; H296-H300 AromaticContact CE1-NE2 3.86Å; H296-H300 AromaticContact NE2-CD2 3.94Å; H296-H300 AromaticContact NE2-NE2 3.46Å; H296-H300 PolarHBondContact NE2-NE2 3.16Å
297Q88.8Confident89.7Confident80 Ų8067.7 Ų67.737%0.37435%0.351SS..Hα-helixtrans-58.6-23.8175.5-72.2174.9-40.200113.3L293 K294 R295 V299 H300 T301L293-Q297 HydrophobicContact CD1-CG 4.47Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.4Å; K294-Q297 WeakPolarHBondContact O-CB 3.43Å; K294-Q297 PolarHBondContact O-N 3.2Å; R295-Q297 VanDerWaalsContact C-N 3.31Å; R295-Q297 PolarHBondContact O-N 3.15Å; Q297-V299 PolarHBondContact O-N 3.38Å; Q297-H300 WeakPolarHBondContact O-CB 3.39Å; Q297-H300 PolarHBondContact O-N 3.1Å; Q297-T301 PolarHBondContact O-N 2.8Å; Q297-T301 PolarHBondContact O-OG1 3.47Å
298L89.9Confident89.9Confident32 Ų3266.3 Ų66.317%0.16835%0.345CS..Hα-helixtrans-62.2-23.4174.3-59.8172.3000113.1R295 H296 H300 G302 E303 S318 L319R295-L298 VanDerWaalsContact O-CB 3.31Å; R295-L298 WeakPolarHBondContact O-CB 3.41Å; R295-L298 WeakPolarHBondContact O-CG 3.47Å; R295-L298 PolarHBondContact O-N 3.13Å; H296-L298 PolarHBondContact O-N 3.24Å; H296-L298 VanDerWaalsContact O-N 3.11Å; L298-H300 VanDerWaalsContact C-N 3.32Å; L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.4Å; L298-E303 HydrophobicContact CD2-CB 3.86Å; L298-E303 PolarHBondContact O-N 3.27Å; L298-S318 WeakPolarHBondContact CD1-O 3.41Å; L298-L319 HydrophobicContact CD1-CD2 4.17Å
299V90.3Very high90.2Very high69 Ų6971.7 Ų71.742%0.41838%0.378SS..Hα-helixtrans-67-39.3173.9179.90000110.2H296 Q297H296-V299 VanDerWaalsContact O-CB 3.26Å; H296-V299 WeakPolarHBondContact O-CB 3.38Å; H296-V299 WeakPolarHBondContact O-CG2 3.35Å; H296-V299 PolarHBondContact O-N 3.34Å; Q297-V299 PolarHBondContact O-N 3.38Å
300H89.1Confident90.5Very high65 Ų6573.5 Ų73.530%0.30139%0.385SS..Hα-helixtrans-77.7-46.1-178.5-72.4-63.6000112.8E282 C283 H296 Q297 L298 G302E282-H300 IonicContact OE1-CG 3.71Å; E282-H300 WeakPolarHBondContact OE2-CB 3.44Å; E282-H300 IonicContact OE2-CD2 3.97Å; E282-H300 IonicContact OE2-CE1 3.17Å; E282-H300 IonicContact OE2-CG 3.99Å; E282-H300 IonicContact OE2-ND1 3.88Å; E282-H300 PolarHBondContact OE2-ND1 3.38Å; C283-H300 PolarHBondContact SG-NE2 2.77Å; C283-H300 VanDerWaalsContact SG-NE2 3.39Å; H296-H300 AromaticContact CE1-NE2 3.86Å; H296-H300 AromaticContact NE2-CD2 3.94Å; H296-H300 AromaticContact NE2-NE2 3.46Å; H296-H300 PolarHBondContact NE2-NE2 3.16Å; Q297-H300 WeakPolarHBondContact O-CB 3.39Å; Q297-H300 PolarHBondContact O-N 3.1Å; L298-H300 VanDerWaalsContact C-N 3.32Å; H300-G302 PolarHBondContact O-N 3.44Å
301T89.1Confident90.6Very high78 Ų7878.9 Ų78.948%0.47940%0.404SS..Hα-helixtrans-72.6-17.8178.763.40000112.4Q297 E303Q297-T301 PolarHBondContact O-N 2.8Å; Q297-T301 PolarHBondContact O-OG1 3.47Å; T301-E303 PolarHBondContact O-N 3.45Å; T301-E303 VanDerWaalsContact O-N 3.17Å; T301-E303 WeakPolarHBondContact OG1-CB 3.36Å; T301-E303 WeakPolarHBondContact OG1-CG 3.41Å; T301-E303 PolarHBondContact OG1-N 2.89Å
302G88.9Confident90.7Very high45 Ų4580 Ų8046%0.46443%0.425SS..  trans64.812.1-172.500000112.9L298 H300 K304L298-G302 WeakPolarHBondContact O-CA 3.48Å; L298-G302 PolarHBondContact O-N 3.4Å; H300-G302 PolarHBondContact O-N 3.44Å; G302-K304 PolarHBondContact O-N 3.22Å
303E89.6Confident90.9Very high117 Ų11777.5 Ų77.555%0.54742%0.418SS..  trans-65.1128.4-179.6-77.5-174.7178.400110.4L298 T301 P305L298-E303 HydrophobicContact CD2-CB 3.86Å; L298-E303 PolarHBondContact O-N 3.27Å; T301-E303 PolarHBondContact O-N 3.45Å; T301-E303 VanDerWaalsContact O-N 3.17Å; T301-E303 WeakPolarHBondContact OG1-CB 3.36Å; T301-E303 WeakPolarHBondContact OG1-CG 3.41Å; T301-E303 PolarHBondContact OG1-N 2.89Å; E303-P305 WeakPolarHBondContact O-CD 3.48Å
304K91.8Very high90.9Very high106 Ų10678.5 Ų78.546%0.46143%0.433SS..  trans-123.680.1177.4-64.8-175.6-173.3-173.80109.1G302 F306 R316 F317G302-K304 PolarHBondContact O-N 3.22Å; K304-F306 PolarHBondContact O-N 3.42Å; K304-R316 HydrophobicContact CB-CB 3.52Å; K304-R316 HydrophobicContact CD-CB 4.43Å; K304-R316 WeakPolarHBondContact CD-O 3.29Å; K304-R316 PolarHBondContact O-NE 3.29Å; K304-R316 PolarHBondContact O-NH2 2.9Å; K304-R316 VanDerWaalsContact O-NH2 3.16Å; K304-F317 CarbonylContact C-O 3.54Å; K304-F317 VanDerWaalsContact C-O 3.23Å; K304-F317 VanDerWaalsContact CA-O 3.27Å; K304-F317 WeakPolarHBondContact CA-O 3.47Å
305P89Confident91Very high67 Ų6777.2 Ų77.244%0.43543%0.428SS..  trans-63.7-30.2-173.4-22.334.3000112.6E303E303-P305 WeakPolarHBondContact O-CD 3.48Å
306F92.6Very high91.2Very high74 Ų7479.7 Ų79.733%0.32544%0.437SS..EExtended strand (participates in β ladder)trans-94.9113.3-170-56-80.1000111K304 R316 F317 S318 L319 D320 L323K304-F306 PolarHBondContact O-N 3.42Å; F306-R316 CarbonylContact O-C 3.27Å; F306-R316 VanDerWaalsContact O-CA 3.25Å; F306-R316 WeakPolarHBondContact O-CA 2.96Å; F306-F317 HydrophobicContact CB-CB 4.43Å; F306-F317 PolarHBondContact N-O 2.92Å; F306-F317 PolarHBondContact O-N 2.8Å; F306-S318 WeakPolarHBondContact CD2-O 3.39Å; F306-S318 VanDerWaalsContact CE2-O 3.24Å; F306-S318 WeakPolarHBondContact CE2-O 3.37Å; F306-L319 VanDerWaalsContact CD2-C 3.42Å; F306-D320 HydrophobicContact CD1-CB 3.92Å; F306-D320 HydrophobicContact CE1-CB 3.71Å; F306-D320 HydrophobicContact CE2-CB 4.39Å; F306-D320 HydrophobicContact CG-CB 4.35Å; F306-D320 HydrophobicContact CZ-CB 3.96Å; F306-L323 HydrophobicContact CB-CB 4.14Å; F306-L323 HydrophobicContact CB-CD2 3.88Å
307Q93.9Very high91.2Very high97 Ų9780.6 Ų80.645%0.45344%0.441SS..EExtended strand (participates in β ladder)trans-103.7140.2-179.8-175.6172.8-0.800111.9T309 R316Q307-T309 PolarHBondContact O-N 2.98Å; Q307-R316 HydrophobicContact CB-CG 4.15Å; Q307-R316 HydrophobicContact CG-CG 4.06Å
308C94.3Very high91.2Very high4 Ų477.9 Ų77.93%0.02743%0.431CS..  trans-70.7121.3170.4-171.50000110.3F310 C313 K315 L323C308-F310 VanDerWaalsContact C-N 3.28Å; C308-C313 HydrophobicContact CB-CB 4.37Å; C308-K315 HydrophobicContact CB-CB 4.49Å; C308-K315 WeakPolarHBondContact CB-O 3.45Å; C308-K315 PolarHBondContact N-O 3.04Å; C308-L323 HydrophobicContact CB-CD1 3.85Å
309T94.1Very high91.1Very high131 Ų13177.6 Ų77.680%0.80443%0.429SS*.  trans-85.11.917955.50000113.3Q307 E311Q307-T309 PolarHBondContact O-N 2.98Å; T309-E311 PolarHBondContact O-N 3.5Å
310F92.6Very high91.1Very high107 Ų10776.9 Ų76.947%0.46942%0.423SS..SBendtrans-71129.1176.8-162-94000110.1C308 G312 C313 H330C308-F310 VanDerWaalsContact C-N 3.28Å; F310-G312 PolarHBondContact O-N 3.44Å; F310-C313 HydrophobicContact CB-CB 4.17Å; F310-C313 WeakPolarHBondContact O-CB 3.28Å; F310-C313 PolarHBondContact O-N 3.23Å; F310-H330 HydrophobicContact CD1-CB 4.24Å; F310-H330 AromaticContact CD1-CE1 3.82Å; F310-H330 AromaticContact CD1-CG 3.76Å; F310-H330 AromaticContact CD1-ND1 3.42Å; F310-H330 WeakPolarHBondContact CD1-ND1 3.43Å; F310-H330 HydrophobicContact CD2-CB 3.67Å; F310-H330 AromaticContact CD2-CG 3.95Å; F310-H330 HydrophobicContact CE1-CB 4.36Å; F310-H330 AromaticContact CE1-ND1 3.75Å; F310-H330 HydrophobicContact CE2-CB 3.82Å; F310-H330 HydrophobicContact CG-CB 3.89Å; F310-H330 AromaticContact CG-CD2 3.96Å; F310-H330 AromaticContact CG-CG 3.61Å; F310-H330 AromaticContact CG-ND1 3.78Å; F310-H330 HydrophobicContact CZ-CB 4.16Å
311E92.3Very high91Very high173 Ų17378.3 Ų78.381%0.80843%0.428SS*.THydrogen-bonded Turntrans-53.5124.7-178.1-66-59.6141.400111.2T309 C313T309-E311 PolarHBondContact O-N 3.5Å; E311-C313 VanDerWaalsContact C-N 3.33Å; E311-C313 PolarHBondContact O-N 2.77Å
312G90.7Very high91Very high88 Ų8876.9 Ų76.991%0.90742%0.418SS*.THydrogen-bonded Turntrans79.5-1-179.200000116.4F310F310-G312 PolarHBondContact O-N 3.44Å
313C93.1Very high91.1Very high29 Ų2975.9 Ų75.920%0.19640%0.402CS..THydrogen-bonded Turntrans-85.8-56.1176.9-174.80000112.6C308 F310 E311 K315 H326 H330C308-C313 HydrophobicContact CB-CB 4.37Å; F310-C313 HydrophobicContact CB-CB 4.17Å; F310-C313 WeakPolarHBondContact O-CB 3.28Å; F310-C313 PolarHBondContact O-N 3.23Å; E311-C313 VanDerWaalsContact C-N 3.33Å; E311-C313 PolarHBondContact O-N 2.77Å; C313-K315 PolarHBondContact O-N 3.16Å; C313-H326 PolarHBondContact SG-NE2 3.3Å; C313-H330 PolarHBondContact SG-NE2 3.01Å
314G89.6Confident91.1Very high43 Ų4378 Ų7844%0.44341%0.405SS..  trans60.71.8178.100000116.4
315K92.3Very high91Very high118 Ų11874.1 Ų74.151%0.51339%0.39SS..  trans-65.3141.8-176.9-73179.3176.7-178.10111.3C308 C313 F317C308-K315 HydrophobicContact CB-CB 4.49Å; C308-K315 WeakPolarHBondContact CB-O 3.45Å; C308-K315 PolarHBondContact N-O 3.04Å; C313-K315 PolarHBondContact O-N 3.16Å; K315-F317 HydrophobicContact CB-CE2 3.93Å; K315-F317 HydrophobicContact CB-CZ 4.05Å
316R92.3Very high91.1Very high129 Ų12971.8 Ų71.849%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-116.4149.4178.9-54-176.370.8128.81.3110.8K304 F306 Q307K304-R316 HydrophobicContact CB-CB 3.52Å; K304-R316 HydrophobicContact CD-CB 4.43Å; K304-R316 WeakPolarHBondContact CD-O 3.29Å; K304-R316 PolarHBondContact O-NE 3.29Å; K304-R316 PolarHBondContact O-NH2 2.9Å; K304-R316 VanDerWaalsContact O-NH2 3.16Å; F306-R316 CarbonylContact O-C 3.27Å; F306-R316 VanDerWaalsContact O-CA 3.25Å; F306-R316 WeakPolarHBondContact O-CA 2.96Å; Q307-R316 HydrophobicContact CB-CG 4.15Å; Q307-R316 HydrophobicContact CG-CG 4.06Å
317F91.1Very high91.1Very high41 Ų4170.6 Ų70.618%0.1837%0.372CS..EExtended strand (participates in β ladder)trans-132146-178-58.6-86.9000109.7K304 F306 K315 L319 N322 L323 H326K304-F317 CarbonylContact C-O 3.54Å; K304-F317 VanDerWaalsContact C-O 3.23Å; K304-F317 VanDerWaalsContact CA-O 3.27Å; K304-F317 WeakPolarHBondContact CA-O 3.47Å; F306-F317 HydrophobicContact CB-CB 4.43Å; F306-F317 PolarHBondContact N-O 2.92Å; F306-F317 PolarHBondContact O-N 2.8Å; K315-F317 HydrophobicContact CB-CE2 3.93Å; K315-F317 HydrophobicContact CB-CZ 4.05Å; F317-L319 VanDerWaalsContact C-N 3.28Å; F317-N322 HydrophobicContact CB-CB 4.23Å; F317-N322 HydrophobicContact CD1-CB 4.02Å; F317-N322 HydrophobicContact CG-CB 4.38Å; F317-L323 HydrophobicContact CB-CB 4.26Å; F317-L323 HydrophobicContact CD2-CB 3.81Å; F317-L323 HydrophobicContact CD2-CD1 3.72Å; F317-L323 HydrophobicContact CD2-CG 4.37Å; F317-L323 HydrophobicContact CE2-CD1 3.89Å; F317-L323 HydrophobicContact CG-CB 4.19Å; F317-H326 HydrophobicContact CE1-CB 3.87Å; F317-H326 HydrophobicContact CE2-CB 3.89Å; F317-H326 AromaticContact CE2-CD2 3.41Å; F317-H326 VanDerWaalsContact CE2-CD2 3.41Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.46Å; F317-H326 AromaticContact CE2-CG 3.65Å; F317-H326 HydrophobicContact CZ-CB 3.4Å; F317-H326 VanDerWaalsContact CZ-CB 3.4Å; F317-H326 AromaticContact CZ-CD2 3.37Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.46Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.66Å; F317-H326 AromaticContact CZ-NE2 3.95Å
318S88.2Confident91Very high23 Ų2368.7 Ų68.716%0.16136%0.36CS..SBendtrans-69.5-28.5173.7470000111.7L298 F306L298-S318 WeakPolarHBondContact CD1-O 3.41Å; F306-S318 WeakPolarHBondContact CD2-O 3.39Å; F306-S318 VanDerWaalsContact CE2-O 3.24Å; F306-S318 WeakPolarHBondContact CE2-O 3.37Å
319L88.9Confident90.8Very high25 Ų2574 Ų7413%0.13139%0.388CS..SBendtrans-127.6140.2-173.4-52.5178000112.6R295 L298 F306 F317 F321 N322 L323R295-L319 VanDerWaalsContact CD-CD2 3.44Å; R295-L319 HydrophobicContact CG-CD1 4.34Å; R295-L319 HydrophobicContact CG-CD2 3.29Å; R295-L319 HydrophobicContact CG-CG 4.45Å; L298-L319 HydrophobicContact CD1-CD2 4.17Å; F306-L319 VanDerWaalsContact CD2-C 3.42Å; F317-L319 VanDerWaalsContact C-N 3.28Å; L319-F321 HydrophobicContact CB-CD1 3.9Å; L319-F321 HydrophobicContact CB-CE1 3.86Å; L319-F321 HydrophobicContact CD1-CD1 4.27Å; L319-F321 HydrophobicContact CD1-CE1 3.4Å; L319-F321 HydrophobicContact CD1-CZ 3.96Å; L319-F321 HydrophobicContact CG-CE1 4.22Å; L319-F321 PolarHBondContact O-N 2.85Å; L319-N322 HydrophobicContact CB-CB 4.33Å; L319-N322 WeakPolarHBondContact O-CB 3.47Å; L319-N322 PolarHBondContact O-N 3.48Å; L319-L323 PolarHBondContact O-N 2.79Å
320D89.6Confident90.7Very high55 Ų5570.5 Ų70.529%0.29436%0.362SS..Hα-helixtrans-59-42.5178.7178.560.4000112.7F306 N322 L323 R324F306-D320 HydrophobicContact CD1-CB 3.92Å; F306-D320 HydrophobicContact CE1-CB 3.71Å; F306-D320 HydrophobicContact CE2-CB 4.39Å; F306-D320 HydrophobicContact CG-CB 4.35Å; F306-D320 HydrophobicContact CZ-CB 3.96Å; D320-N322 VanDerWaalsContact C-N 3.27Å; D320-N322 PolarHBondContact O-N 3.12Å; D320-L323 WeakPolarHBondContact O-CB 3.36Å; D320-L323 PolarHBondContact O-N 3.32Å; D320-L323 VanDerWaalsContact O-N 3.15Å; D320-R324 WeakPolarHBondContact O-CG 3.34Å; D320-R324 PolarHBondContact O-N 2.8Å; D320-R324 IonicContact OD1-NE 2.78Å; D320-R324 IonicContact OD2-CZ 2.77Å; D320-R324 IonicContact OD2-NE 3.97Å; D320-R324 PolarHBondContact OD2-NE 3.24Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 2.81Å
321F87Confident90.6Very high94 Ų9469.9 Ų69.941%0.41237%0.367SS..Hα-helixtrans-66.5-30.8-179.582.5-97.1000112.5L319 R324 T325L319-F321 HydrophobicContact CB-CD1 3.9Å; L319-F321 HydrophobicContact CB-CE1 3.86Å; L319-F321 HydrophobicContact CD1-CD1 4.27Å; L319-F321 HydrophobicContact CD1-CE1 3.4Å; L319-F321 HydrophobicContact CD1-CZ 3.96Å; L319-F321 HydrophobicContact CG-CE1 4.22Å; L319-F321 PolarHBondContact O-N 2.85Å; F321-R324 PolarHBondContact O-N 3.44Å; F321-T325 WeakPolarHBondContact O-CB 3.14Å; F321-T325 PolarHBondContact O-N 3.32Å; F321-T325 PolarHBondContact O-OG1 3.5Å
322N88.6Confident90.5Very high48 Ų4864.2 Ų64.226%0.25736%0.355SS..Hα-helixtrans-66.8-43.3173.8-77.5-16.3000110.2F317 L319 D320 T325 H326F317-N322 HydrophobicContact CB-CB 4.23Å; F317-N322 HydrophobicContact CD1-CB 4.02Å; F317-N322 HydrophobicContact CG-CB 4.38Å; L319-N322 HydrophobicContact CB-CB 4.33Å; L319-N322 WeakPolarHBondContact O-CB 3.47Å; L319-N322 PolarHBondContact O-N 3.48Å; D320-N322 VanDerWaalsContact C-N 3.27Å; D320-N322 PolarHBondContact O-N 3.12Å; N322-T325 PolarHBondContact O-N 2.85Å; N322-H326 WeakPolarHBondContact O-CB 3.36Å; N322-H326 PolarHBondContact O-N 2.81Å
323L92.3Very high90.6Very high24 Ų2463.7 Ų63.713%0.12633%0.331CS..Hα-helixtrans-58.7-50.2172.1171.761.8000111.5F306 C308 F317 L319 D320 T325 H326 V327F306-L323 HydrophobicContact CB-CB 4.14Å; F306-L323 HydrophobicContact CB-CD2 3.88Å; C308-L323 HydrophobicContact CB-CD1 3.85Å; F317-L323 HydrophobicContact CB-CB 4.26Å; F317-L323 HydrophobicContact CD2-CB 3.81Å; F317-L323 HydrophobicContact CD2-CD1 3.72Å; F317-L323 HydrophobicContact CD2-CG 4.37Å; F317-L323 HydrophobicContact CE2-CD1 3.89Å; F317-L323 HydrophobicContact CG-CB 4.19Å; L319-L323 PolarHBondContact O-N 2.79Å; D320-L323 WeakPolarHBondContact O-CB 3.36Å; D320-L323 PolarHBondContact O-N 3.32Å; D320-L323 VanDerWaalsContact O-N 3.15Å; L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 2.8Å; L323-H326 WeakPolarHBondContact O-CB 3.46Å; L323-H326 PolarHBondContact O-N 3.38Å; L323-H326 VanDerWaalsContact O-N 3.11Å; L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.39Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.05Å
324R89.9Confident90.6Very high163 Ų16369 Ų6962%0.61535%0.347SS*.Hα-helixtrans-57.8-40.9178.9-68.5-177.1-163.4-164.74.3112.2D320 F321 V327D320-R324 WeakPolarHBondContact O-CG 3.34Å; D320-R324 PolarHBondContact O-N 2.8Å; D320-R324 IonicContact OD1-NE 2.78Å; D320-R324 IonicContact OD2-CZ 2.77Å; D320-R324 IonicContact OD2-NE 3.97Å; D320-R324 PolarHBondContact OD2-NE 3.24Å; D320-R324 IonicContact OD2-NH2 3.96Å; D320-R324 PolarHBondContact OD2-NH2 2.81Å; F321-R324 PolarHBondContact O-N 3.44Å; R324-V327 PolarHBondContact O-N 3.48Å
325T89.4Confident90.6Very high24 Ų2470 Ų7015%0.14735%0.346CS..Hα-helixtrans-67.8-40.6177.8-58.70000111.2F321 N322 L323 R328 Q349F321-T325 WeakPolarHBondContact O-CB 3.14Å; F321-T325 PolarHBondContact O-N 3.32Å; F321-T325 PolarHBondContact O-OG1 3.5Å; N322-T325 PolarHBondContact O-N 2.85Å; L323-T325 VanDerWaalsContact C-N 3.26Å; L323-T325 PolarHBondContact O-N 2.8Å; T325-R328 WeakPolarHBondContact O-CB 2.97Å; T325-R328 PolarHBondContact O-N 3.27Å; T325-Q349 HydrophobicContact CG2-CG 3.36Å; T325-Q349 VanDerWaalsContact CG2-NE2 3.33Å
326H91.6Very high90.6Very high17 Ų1768 Ų688%0.07934%0.335CS..Hα-helixtrans-62.9-41.4174.717169.2000112.7C313 F317 N322 L323 R328 I329 H330C313-H326 PolarHBondContact SG-NE2 3.3Å; F317-H326 HydrophobicContact CE1-CB 3.87Å; F317-H326 HydrophobicContact CE2-CB 3.89Å; F317-H326 AromaticContact CE2-CD2 3.41Å; F317-H326 VanDerWaalsContact CE2-CD2 3.41Å; F317-H326 WeakPolarHBondContact CE2-CD2 3.46Å; F317-H326 AromaticContact CE2-CG 3.65Å; F317-H326 HydrophobicContact CZ-CB 3.4Å; F317-H326 VanDerWaalsContact CZ-CB 3.4Å; F317-H326 AromaticContact CZ-CD2 3.37Å; F317-H326 WeakPolarHBondContact CZ-CD2 3.46Å; F317-H326 AromaticContact CZ-CG 3.15Å; F317-H326 AromaticContact CZ-ND1 3.66Å; F317-H326 AromaticContact CZ-NE2 3.95Å; N322-H326 WeakPolarHBondContact O-CB 3.36Å; N322-H326 PolarHBondContact O-N 2.81Å; L323-H326 WeakPolarHBondContact O-CB 3.46Å; L323-H326 PolarHBondContact O-N 3.38Å; L323-H326 VanDerWaalsContact O-N 3.11Å; H326-R328 PolarHBondContact O-N 3Å; H326-R328 VanDerWaalsContact O-N 3.1Å; H326-I329 VanDerWaalsContact O-CB 3.23Å; H326-I329 WeakPolarHBondContact O-CB 3.46Å; H326-I329 WeakPolarHBondContact O-CG1 3.17Å; H326-I329 PolarHBondContact O-N 3.07Å; H326-H330 AromaticContact CE1-NE2 3.83Å; H326-H330 AromaticContact NE2-CD2 3.91Å; H326-H330 AromaticContact NE2-NE2 3.27Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å
327V91Very high90.7Very high49 Ų4965.3 Ų65.330%0.29733%0.333SS..Hα-helixtrans-57.6-28179.1168.80000112.1L323 R324 I329 H330 T331L323-V327 HydrophobicContact CD1-CG2 3.94Å; L323-V327 HydrophobicContact CG-CG2 4.39Å; L323-V327 WeakPolarHBondContact O-CG2 3.46Å; L323-V327 PolarHBondContact O-N 3.05Å; R324-V327 PolarHBondContact O-N 3.48Å; V327-I329 PolarHBondContact O-N 3.14Å; V327-I329 VanDerWaalsContact O-N 3.15Å; V327-H330 WeakPolarHBondContact O-CB 3.43Å; V327-H330 PolarHBondContact O-N 3.31Å; V327-T331 HydrophobicContact CG1-CG2 4.16Å; V327-T331 PolarHBondContact O-N 3.27Å; V327-T331 VanDerWaalsContact O-N 3.11Å; V327-T331 PolarHBondContact O-OG1 3.34Å
328R92.2Very high90.9Very high57 Ų5763.8 Ų63.822%0.21533%0.327CS..Hα-helixtrans-59.5-24.9174-61.6-177.6-173.5150.24.1113.6T325 H326 H330 T331 G332 D333 A348T325-R328 WeakPolarHBondContact O-CB 2.97Å; T325-R328 PolarHBondContact O-N 3.27Å; H326-R328 PolarHBondContact O-N 3Å; H326-R328 VanDerWaalsContact O-N 3.1Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-T331 WeakPolarHBondContact CA-OG1 3.38Å; R328-T331 PolarHBondContact O-OG1 2.82Å; R328-G332 CarbonylContact O-C 3.56Å; R328-G332 WeakPolarHBondContact O-CA 3.1Å; R328-G332 PolarHBondContact O-N 2.82Å; R328-D333 HydrophobicContact CB-CB 4.28Å; R328-D333 HydrophobicContact CG-CB 4.29Å; R328-D333 PolarHBondContact O-N 2.73Å; R328-D333 VanDerWaalsContact O-N 3.1Å; R328-A348 HydrophobicContact CB-CB 4.2Å; R328-A348 WeakPolarHBondContact CD-O 3.5Å; R328-A348 PolarHBondContact NH1-O 2.88Å
329I90.3Very high91Very high117 Ų11767.3 Ų67.360%0.635%0.35SS*.Hα-helixtrans-67.5-38.1175.4-58173.9000110.3H326 V327H326-I329 VanDerWaalsContact O-CB 3.23Å; H326-I329 WeakPolarHBondContact O-CB 3.46Å; H326-I329 WeakPolarHBondContact O-CG1 3.17Å; H326-I329 PolarHBondContact O-N 3.07Å; V327-I329 PolarHBondContact O-N 3.14Å; V327-I329 VanDerWaalsContact O-N 3.15Å
330H91.4Very high91.2Very high57 Ų5769 Ų6926%0.26436%0.357SS..Hα-helixtrans-75.6-42.3178.4-65.1-60.6000112.4F310 C313 H326 V327 R328 G332F310-H330 HydrophobicContact CD1-CB 4.24Å; F310-H330 AromaticContact CD1-CE1 3.82Å; F310-H330 AromaticContact CD1-CG 3.76Å; F310-H330 AromaticContact CD1-ND1 3.42Å; F310-H330 WeakPolarHBondContact CD1-ND1 3.43Å; F310-H330 HydrophobicContact CD2-CB 3.67Å; F310-H330 AromaticContact CD2-CG 3.95Å; F310-H330 HydrophobicContact CE1-CB 4.36Å; F310-H330 AromaticContact CE1-ND1 3.75Å; F310-H330 HydrophobicContact CE2-CB 3.82Å; F310-H330 HydrophobicContact CG-CB 3.89Å; F310-H330 AromaticContact CG-CD2 3.96Å; F310-H330 AromaticContact CG-CG 3.61Å; F310-H330 AromaticContact CG-ND1 3.78Å; F310-H330 HydrophobicContact CZ-CB 4.16Å; C313-H330 PolarHBondContact SG-NE2 3.01Å; H326-H330 AromaticContact CE1-NE2 3.83Å; H326-H330 AromaticContact NE2-CD2 3.91Å; H326-H330 AromaticContact NE2-NE2 3.27Å; H326-H330 PolarHBondContact NE2-NE2 3.48Å; V327-H330 WeakPolarHBondContact O-CB 3.43Å; V327-H330 PolarHBondContact O-N 3.31Å; R328-H330 VanDerWaalsContact C-N 3.33Å; H330-G332 PolarHBondContact O-N 3.24Å
331T91.1Very high91.2Very high94 Ų9474.7 Ų74.758%0.57739%0.387SS*.Hα-helixtrans-76.7-13.9179.661.40000112.8V327 R328 D333V327-T331 HydrophobicContact CG1-CG2 4.16Å; V327-T331 PolarHBondContact O-N 3.27Å; V327-T331 VanDerWaalsContact O-N 3.11Å; V327-T331 PolarHBondContact O-OG1 3.34Å; R328-T331 WeakPolarHBondContact CA-OG1 3.38Å; R328-T331 PolarHBondContact O-OG1 2.82Å; T331-D333 PolarHBondContact O-N 2.92Å; T331-D333 WeakPolarHBondContact OG1-CB 3.47Å; T331-D333 PolarHBondContact OG1-N 3.12Å
332G90.8Very high91.2Very high53 Ų5373.6 Ų73.655%0.54640%0.402SS..THydrogen-bonded Turntrans69.413.2-172.200000113.3R328 H330 R334R328-G332 CarbonylContact O-C 3.56Å; R328-G332 WeakPolarHBondContact O-CA 3.1Å; R328-G332 PolarHBondContact O-N 2.82Å; H330-G332 PolarHBondContact O-N 3.24Å; G332-R334 PolarHBondContact O-N 3.14Å
333D93.2Very high91.3Very high77 Ų7772 Ų7241%0.41240%0.395SS..  trans-68.3127-179-177.127.4000111.1R328 T331R328-D333 HydrophobicContact CB-CB 4.28Å; R328-D333 HydrophobicContact CG-CB 4.29Å; R328-D333 PolarHBondContact O-N 2.73Å; R328-D333 VanDerWaalsContact O-N 3.1Å; T331-D333 PolarHBondContact O-N 2.92Å; T331-D333 WeakPolarHBondContact OG1-CB 3.47Å; T331-D333 PolarHBondContact OG1-N 3.12Å
334R92.1Very high91.3Very high142 Ų14277.9 Ų77.954%0.53643%0.426SS..  trans-134.673.4-176.9-66177.8116.7174.50.8109.2G332 Y336 K346 F347G332-R334 PolarHBondContact O-N 3.14Å; R334-Y336 PolarHBondContact O-N 3.32Å; R334-K346 HydrophobicContact CB-CB 3.79Å; R334-K346 VanDerWaalsContact CZ-O 3.28Å; R334-K346 PolarHBondContact NE-O 3.15Å; R334-K346 VanDerWaalsContact NE-O 3.15Å; R334-F347 CarbonylContact C-O 3.45Å; R334-F347 VanDerWaalsContact C-O 3.27Å; R334-F347 VanDerWaalsContact CA-O 3.25Å; R334-F347 WeakPolarHBondContact CA-O 3.39Å
335P90Very high91.4Very high63 Ų6376 Ų7641%0.40942%0.422SS..  trans-70.9-19.9-172.427.7-34.1000112.7V337P335-V337 PolarHBondContact O-N 2.96Å
336Y92.5Very high91.6Very high75 Ų7580.1 Ų80.129%0.29444%0.438SS..EExtended strand (participates in β ladder)trans-92.2100.8-175.5-57.2-71.8000110.9R334 K346 F347 A348 L353R334-Y336 PolarHBondContact O-N 3.32Å; Y336-K346 CarbonylContact O-C 3.26Å; Y336-K346 WeakPolarHBondContact O-CA 3.39Å; Y336-F347 WeakPolarHBondContact CB-O 3.43Å; Y336-F347 PolarHBondContact N-O 3.48Å; Y336-F347 VanDerWaalsContact N-O 3.15Å; Y336-F347 PolarHBondContact O-N 3Å; Y336-A348 WeakPolarHBondContact CE2-O 3.12Å; Y336-L353 HydrophobicContact CD1-CD2 4.5Å
337V93.8Very high91.6Very high73 Ų7381 Ų8144%0.44244%0.442SS..EExtended strand (participates in β ladder)trans-95.7139.4179-172.20000110.2P335 K346P335-V337 PolarHBondContact O-N 2.96Å; V337-K346 HydrophobicContact CG1-CG 4.3Å; V337-K346 HydrophobicContact CG2-CD 4.11Å; V337-K346 HydrophobicContact CG2-CG 4.03Å
338C94.5Very high91.5Very high9 Ų979.7 Ų79.76%0.06144%0.436CS..  trans-59128.5172.6-178.40000111.3F340 C343 K345 L353C338-F340 VanDerWaalsContact C-N 3.34Å; C338-C343 HydrophobicContact CB-CB 4.25Å; C338-C343 VanDerWaalsContact SG-CB 3.6Å; C338-K345 WeakPolarHBondContact CB-O 2.91Å; C338-K345 PolarHBondContact N-O 2.82Å; C338-L353 HydrophobicContact CB-CD1 4.34Å
339P92.1Very high91.3Very high98 Ų9880.4 Ų80.464%0.63644%0.442SS*.  trans-81.3-10.8-179.132.5-36.2000113.8I357P339-I357 HydrophobicContact CG-CD1 3.89Å; P339-I357 HydrophobicContact CG-CG1 4.29Å
340F91.5Very high91.2Very high61 Ų6176.9 Ų76.927%0.26843%0.428SS..SBendtrans-74.8129.2179.8-69.5-87.3000111.7C338 C343 I357 H360C338-F340 VanDerWaalsContact C-N 3.34Å; F340-C343 HydrophobicContact CB-CB 4.27Å; F340-C343 WeakPolarHBondContact O-CB 2.88Å; F340-C343 PolarHBondContact O-N 3.15Å; F340-I357 HydrophobicContact CD2-CG1 4.44Å; F340-I357 HydrophobicContact CE2-CB 4.16Å; F340-I357 HydrophobicContact CE2-CG1 4.02Å; F340-I357 HydrophobicContact CE2-CG2 3.84Å; F340-I357 HydrophobicContact CZ-CG2 4.38Å; F340-H360 HydrophobicContact CD1-CB 4.21Å; F340-H360 HydrophobicContact CD2-CB 3.92Å; F340-H360 AromaticContact CD2-CD2 3.49Å; F340-H360 VanDerWaalsContact CD2-CD2 3.49Å; F340-H360 WeakPolarHBondContact CD2-CD2 3.14Å; F340-H360 AromaticContact CD2-CG 3.72Å; F340-H360 HydrophobicContact CE1-CB 4.03Å; F340-H360 HydrophobicContact CE2-CB 3.72Å; F340-H360 AromaticContact CE2-CD2 3.91Å; F340-H360 HydrophobicContact CG-CB 4.16Å; F340-H360 AromaticContact CG-CG 3.93Å; F340-H360 HydrophobicContact CZ-CB 3.78Å
341D89.3Confident91Very high174 Ų17475.7 Ų75.793%0.9342%0.424SS*.THydrogen-bonded Turntrans-60.4135.5176.3-167.137.1000111.2C343D341-C343 VanDerWaalsContact C-N 3.3Å; D341-C343 PolarHBondContact O-N 2.97Å
342G87.8Confident91Very high71 Ų7174.9 Ų74.973%0.73242%0.417SS*.THydrogen-bonded Turntrans80.5-4.7-172.200000115.8
343C91.1Very high91Very high15 Ų1573.5 Ų73.510%0.10140%0.397CS..  trans-106.6105.2174.4-172.30000112.2C338 F340 D341 K345 H356 H360C338-C343 HydrophobicContact CB-CB 4.25Å; C338-C343 VanDerWaalsContact SG-CB 3.6Å; F340-C343 HydrophobicContact CB-CB 4.27Å; F340-C343 WeakPolarHBondContact O-CB 2.88Å; F340-C343 PolarHBondContact O-N 3.15Å; D341-C343 VanDerWaalsContact C-N 3.3Å; D341-C343 PolarHBondContact O-N 2.97Å; C343-K345 VanDerWaalsContact C-N 3.31Å; C343-K345 PolarHBondContact O-N 2.85Å; C343-H356 PolarHBondContact SG-NE2 3.09Å; C343-H360 PolarHBondContact SG-NE2 3.13Å; C343-H360 VanDerWaalsContact SG-NE2 3.42Å
344N90.9Very high90.9Very high147 Ų14775 Ų7579%0.78640%0.399SS*.  trans-9018.1-178.7-66.8-49.3000114.5
345K93.1Very high90.8Very high122 Ų12271.8 Ų71.853%0.5340%0.399SS..  trans-74.3134.3-177.2-69.4173.7180178.40110.9C338 C343 F347 H356C338-K345 WeakPolarHBondContact CB-O 2.91Å; C338-K345 PolarHBondContact N-O 2.82Å; C343-K345 VanDerWaalsContact C-N 3.31Å; C343-K345 PolarHBondContact O-N 2.85Å; K345-F347 HydrophobicContact CB-CE2 3.86Å; K345-F347 HydrophobicContact CB-CZ 3.94Å; K345-H356 WeakPolarHBondContact CD-CE1 3.46Å
346K93.8Very high90.9Very high111 Ų11169.5 Ų69.548%0.48338%0.383SS..EExtended strand (participates in β ladder)trans-123.8147.3178.9-52.5-172.8179.6179.50110.8R334 Y336 V337R334-K346 HydrophobicContact CB-CB 3.79Å; R334-K346 VanDerWaalsContact CZ-O 3.28Å; R334-K346 PolarHBondContact NE-O 3.15Å; R334-K346 VanDerWaalsContact NE-O 3.15Å; Y336-K346 CarbonylContact O-C 3.26Å; Y336-K346 WeakPolarHBondContact O-CA 3.39Å; V337-K346 HydrophobicContact CG1-CG 4.3Å; V337-K346 HydrophobicContact CG2-CD 4.11Å; V337-K346 HydrophobicContact CG2-CG 4.03Å
347F91.2Very high90.9Very high36 Ų3668.3 Ų68.316%0.15838%0.381CS..EExtended strand (participates in β ladder)trans-132.6149.1-174-56.4-89.1000111.2R334 Y336 K345 N352 L353 H356R334-F347 CarbonylContact C-O 3.45Å; R334-F347 VanDerWaalsContact C-O 3.27Å; R334-F347 VanDerWaalsContact CA-O 3.25Å; R334-F347 WeakPolarHBondContact CA-O 3.39Å; Y336-F347 WeakPolarHBondContact CB-O 3.43Å; Y336-F347 PolarHBondContact N-O 3.48Å; Y336-F347 VanDerWaalsContact N-O 3.15Å; Y336-F347 PolarHBondContact O-N 3Å; K345-F347 HydrophobicContact CB-CE2 3.86Å; K345-F347 HydrophobicContact CB-CZ 3.94Å; F347-N352 HydrophobicContact CB-CB 4.23Å; F347-N352 HydrophobicContact CD1-CB 3.81Å; F347-N352 HydrophobicContact CG-CB 4.27Å; F347-L353 HydrophobicContact CB-CB 4.35Å; F347-L353 HydrophobicContact CD2-CB 3.93Å; F347-L353 HydrophobicContact CD2-CD1 3.89Å; F347-L353 HydrophobicContact CE2-CD1 4.1Å; F347-L353 HydrophobicContact CG-CB 4.31Å; F347-H356 HydrophobicContact CE1-CB 4.05Å; F347-H356 HydrophobicContact CE2-CB 3.78Å; F347-H356 AromaticContact CE2-CD2 3.42Å; F347-H356 VanDerWaalsContact CE2-CD2 3.42Å; F347-H356 WeakPolarHBondContact CE2-CD2 3.27Å; F347-H356 AromaticContact CE2-CG 3.67Å; F347-H356 HydrophobicContact CZ-CB 3.37Å; F347-H356 AromaticContact CZ-CD2 3.56Å; F347-H356 AromaticContact CZ-CG 3.32Å
348A88.8Confident90.7Very high22 Ų2269.7 Ų69.718%0.18239%0.385CS..SBendtrans-81.8-17.4175.300000112.8R328 Y336R328-A348 HydrophobicContact CB-CB 4.2Å; R328-A348 WeakPolarHBondContact CD-O 3.5Å; R328-A348 PolarHBondContact NH1-O 2.88Å; Y336-A348 WeakPolarHBondContact CE2-O 3.12Å
349Q87.6Confident90.6Very high72 Ų7272.8 Ų72.834%0.33640%0.404SS..SBendtrans-129.5147-177.6-73.8176.4-20.800111.4T325 N352 L353T325-Q349 HydrophobicContact CG2-CG 3.36Å; T325-Q349 VanDerWaalsContact CG2-NE2 3.33Å; Q349-N352 HydrophobicContact CB-CB 4.37Å; Q349-N352 PolarHBondContact OE1-ND2 2.84Å; Q349-L353 PolarHBondContact O-N 2.99Å
350S88Confident90.4Very high42 Ų4270.1 Ų70.129%0.29438%0.383SS..Hα-helixtrans-70.9-38.5179.854.90000112N352 L353 K354S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 2.88Å; S350-L353 CarbonylContact O-C 3.48Å; S350-L353 WeakPolarHBondContact O-CA 3.49Å; S350-L353 WeakPolarHBondContact O-CB 3.18Å; S350-L353 PolarHBondContact O-N 3.05Å; S350-L353 VanDerWaalsContact O-N 3.13Å; S350-K354 WeakPolarHBondContact O-CG 3.42Å; S350-K354 PolarHBondContact O-N 3.15Å
351T88.8Confident90Very high32 Ų3269.4 Ų69.420%0.19639%0.388CS..Hα-helixtrans-56.9-47175.549.80000111.4D50 L353 K354 S355D50-T351 WeakPolarHBondContact OD2-CG2 2.96Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.06Å; T351-K354 WeakPolarHBondContact O-CB 3.39Å; T351-K354 PolarHBondContact O-N 3.24Å; T351-K354 VanDerWaalsContact O-N 3.14Å; T351-S355 PolarHBondContact O-N 2.85Å
352N89.9Confident89.4Confident78 Ų7868.4 Ų68.442%0.41738%0.376SS..Hα-helixtrans-61.4-38.9175.1-68.9-13000112.4F347 Q349 S350 H356F347-N352 HydrophobicContact CB-CB 4.23Å; F347-N352 HydrophobicContact CD1-CB 3.81Å; F347-N352 HydrophobicContact CG-CB 4.27Å; Q349-N352 HydrophobicContact CB-CB 4.37Å; Q349-N352 PolarHBondContact OE1-ND2 2.84Å; S350-N352 VanDerWaalsContact C-N 3.35Å; S350-N352 PolarHBondContact O-N 2.88Å; N352-H356 VanDerWaalsContact O-CB 3.3Å; N352-H356 WeakPolarHBondContact O-CB 3.48Å; N352-H356 PolarHBondContact O-N 2.98Å
353L92Very high88.4Confident24 Ų2468.1 Ų68.113%0.12637%0.366CS..Hα-helixtrans-64.9-46.3172.5171.264.6000111.5Y336 C338 F347 Q349 S350 T351 S355 H356 I357Y336-L353 HydrophobicContact CD1-CD2 4.5Å; C338-L353 HydrophobicContact CB-CD1 4.34Å; F347-L353 HydrophobicContact CB-CB 4.35Å; F347-L353 HydrophobicContact CD2-CB 3.93Å; F347-L353 HydrophobicContact CD2-CD1 3.89Å; F347-L353 HydrophobicContact CE2-CD1 4.1Å; F347-L353 HydrophobicContact CG-CB 4.31Å; Q349-L353 PolarHBondContact O-N 2.99Å; S350-L353 CarbonylContact O-C 3.48Å; S350-L353 WeakPolarHBondContact O-CA 3.49Å; S350-L353 WeakPolarHBondContact O-CB 3.18Å; S350-L353 PolarHBondContact O-N 3.05Å; S350-L353 VanDerWaalsContact O-N 3.13Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 3.06Å; L353-S355 PolarHBondContact O-N 2.89Å; L353-H356 WeakPolarHBondContact O-CB 3.41Å; L353-H356 PolarHBondContact O-N 3.42Å; L353-I357 HydrophobicContact CD1-CD1 3.83Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 3.78Å; L353-I357 HydrophobicContact CG-CG1 4.36Å; L353-I357 WeakPolarHBondContact O-CB 3.41Å; L353-I357 WeakPolarHBondContact O-CG1 3.08Å; L353-I357 PolarHBondContact O-N 3.08Å
354K90.3Very high87Confident108 Ų10874.3 Ų74.347%0.4739%0.391SS..Hα-helixtrans-57.5-50.1178.1-69.7174.9-171.4171.90110.6D50 S350 T351 H356 I357 L358D50-K354 IonicContact OD1-NZ 3.15Å; D50-K354 PolarHBondContact OD1-NZ 2.99Å; D50-K354 IonicContact OD2-NZ 3.8Å; S350-K354 WeakPolarHBondContact O-CG 3.42Å; S350-K354 PolarHBondContact O-N 3.15Å; T351-K354 WeakPolarHBondContact O-CB 3.39Å; T351-K354 PolarHBondContact O-N 3.24Å; T351-K354 VanDerWaalsContact O-N 3.14Å; K354-H356 VanDerWaalsContact C-N 3.32Å; K354-H356 PolarHBondContact O-N 3Å; K354-I357 WeakPolarHBondContact O-CB 3.33Å; K354-I357 PolarHBondContact O-N 3.02Å; K354-I357 VanDerWaalsContact O-N 3.16Å; K354-L358 WeakPolarHBondContact O-CG 3.28Å; K354-L358 PolarHBondContact O-N 3.27Å; K354-L358 VanDerWaalsContact O-N 3.09Å
355S91Very high85.4Confident75 Ų7574 Ų7452%0.52439%0.39SS..Hα-helixtrans-59.6-42.7177.2-178.90000111.7T351 L353 I357 L358 T359T351-S355 PolarHBondContact O-N 2.85Å; L353-S355 PolarHBondContact O-N 2.89Å; S355-I357 PolarHBondContact O-N 3.22Å; S355-L358 WeakPolarHBondContact O-CB 3.34Å; S355-L358 PolarHBondContact O-N 3.11Å; S355-T359 PolarHBondContact O-N 3.27Å
356H91.8Very high83.3Confident15 Ų1575.5 Ų75.57%0.06940%0.404CS..Hα-helixtrans-62.3-43.4173.9173.453.6000113.1C343 K345 F347 N352 L353 K354 L358 T359 H360C343-H356 PolarHBondContact SG-NE2 3.09Å; K345-H356 WeakPolarHBondContact CD-CE1 3.46Å; F347-H356 HydrophobicContact CE1-CB 4.05Å; F347-H356 HydrophobicContact CE2-CB 3.78Å; F347-H356 AromaticContact CE2-CD2 3.42Å; F347-H356 VanDerWaalsContact CE2-CD2 3.42Å; F347-H356 WeakPolarHBondContact CE2-CD2 3.27Å; F347-H356 AromaticContact CE2-CG 3.67Å; F347-H356 HydrophobicContact CZ-CB 3.37Å; F347-H356 AromaticContact CZ-CD2 3.56Å; F347-H356 AromaticContact CZ-CG 3.32Å; N352-H356 VanDerWaalsContact O-CB 3.3Å; N352-H356 WeakPolarHBondContact O-CB 3.48Å; N352-H356 PolarHBondContact O-N 2.98Å; L353-H356 WeakPolarHBondContact O-CB 3.41Å; L353-H356 PolarHBondContact O-N 3.42Å; K354-H356 VanDerWaalsContact C-N 3.32Å; K354-H356 PolarHBondContact O-N 3Å; H356-L358 PolarHBondContact O-N 3.11Å; H356-T359 PolarHBondContact ND1-OG1 3.33Å; H356-T359 WeakPolarHBondContact O-CB 3.41Å; H356-T359 PolarHBondContact O-N 2.86Å; H356-T359 PolarHBondContact O-OG1 3.11Å; H356-H360 AromaticContact CD2-NE2 4Å; H356-H360 AromaticContact CE1-CD2 3.75Å; H356-H360 AromaticContact CE1-NE2 3.16Å; H356-H360 PolarHBondContact CE1-NE2 3.14Å; H356-H360 AromaticContact NE2-CD2 3.63Å; H356-H360 AromaticContact NE2-NE2 2.98Å; H356-H360 PolarHBondContact NE2-NE2 3.09Å
357I90.8Very high80.9Confident49 Ų4981.4 Ų81.425%0.25143%0.433SS..Hα-helixtrans-56.1-39.4176-78.5168.6000110.8P339 F340 L353 K354 S355 T359 H360 A361P339-I357 HydrophobicContact CG-CD1 3.89Å; P339-I357 HydrophobicContact CG-CG1 4.29Å; F340-I357 HydrophobicContact CD2-CG1 4.44Å; F340-I357 HydrophobicContact CE2-CB 4.16Å; F340-I357 HydrophobicContact CE2-CG1 4.02Å; F340-I357 HydrophobicContact CE2-CG2 3.84Å; F340-I357 HydrophobicContact CZ-CG2 4.38Å; L353-I357 HydrophobicContact CD1-CD1 3.83Å; L353-I357 HydrophobicContact CD1-CG1 3.99Å; L353-I357 HydrophobicContact CD2-CD1 4.32Å; L353-I357 HydrophobicContact CG-CD1 3.78Å; L353-I357 HydrophobicContact CG-CG1 4.36Å; L353-I357 WeakPolarHBondContact O-CB 3.41Å; L353-I357 WeakPolarHBondContact O-CG1 3.08Å; L353-I357 PolarHBondContact O-N 3.08Å; K354-I357 WeakPolarHBondContact O-CB 3.33Å; K354-I357 PolarHBondContact O-N 3.02Å; K354-I357 VanDerWaalsContact O-N 3.16Å; S355-I357 PolarHBondContact O-N 3.22Å; I357-T359 PolarHBondContact O-N 3.41Å; I357-H360 WeakPolarHBondContact O-CB 3.22Å; I357-H360 PolarHBondContact O-N 3.11Å; I357-H360 VanDerWaalsContact O-N 3.09Å; I357-A361 PolarHBondContact O-N 3.15Å
358L91.2Very high80.4Confident103 Ų10383.7 Ų83.754%0.53945%0.447SS..Hα-helixtrans-62.3-28176.5-65.6173.6000112.9K354 S355 H356 H360 A361 K362K354-L358 WeakPolarHBondContact O-CG 3.28Å; K354-L358 PolarHBondContact O-N 3.27Å; K354-L358 VanDerWaalsContact O-N 3.09Å; S355-L358 WeakPolarHBondContact O-CB 3.34Å; S355-L358 PolarHBondContact O-N 3.11Å; H356-L358 PolarHBondContact O-N 3.11Å; L358-H360 VanDerWaalsContact C-N 3.3Å; L358-H360 PolarHBondContact O-N 2.92Å; L358-A361 PolarHBondContact O-N 2.91Å; L358-K362 WeakPolarHBondContact O-CG 3.37Å; L358-K362 PolarHBondContact O-N 3.24Å
359T91.7Very high80Confident73 Ų7386.9 Ų86.945%0.44846%0.461SS..Hα-helixtrans-65.7-33.4175.370.10000112.6S355 H356 I357 A363S355-T359 PolarHBondContact O-N 3.27Å; H356-T359 PolarHBondContact ND1-OG1 3.33Å; H356-T359 WeakPolarHBondContact O-CB 3.41Å; H356-T359 PolarHBondContact O-N 2.86Å; H356-T359 PolarHBondContact O-OG1 3.11Å; I357-T359 PolarHBondContact O-N 3.41Å; T359-A363 WeakPolarHBondContact O-CB 3.42Å; T359-A363 PolarHBondContact O-N 3.34Å
360H87.5Confident79.6Confident42 Ų4287.8 Ų87.819%0.19447%0.467CS..Hα-helixtrans-70-38.3174-68.8-75.3000112F340 C343 H356 I357 L358 A363 K364F340-H360 HydrophobicContact CD1-CB 4.21Å; F340-H360 HydrophobicContact CD2-CB 3.92Å; F340-H360 AromaticContact CD2-CD2 3.49Å; F340-H360 VanDerWaalsContact CD2-CD2 3.49Å; F340-H360 WeakPolarHBondContact CD2-CD2 3.14Å; F340-H360 AromaticContact CD2-CG 3.72Å; F340-H360 HydrophobicContact CE1-CB 4.03Å; F340-H360 HydrophobicContact CE2-CB 3.72Å; F340-H360 AromaticContact CE2-CD2 3.91Å; F340-H360 HydrophobicContact CG-CB 4.16Å; F340-H360 AromaticContact CG-CG 3.93Å; F340-H360 HydrophobicContact CZ-CB 3.78Å; C343-H360 PolarHBondContact SG-NE2 3.13Å; C343-H360 VanDerWaalsContact SG-NE2 3.42Å; H356-H360 AromaticContact CD2-NE2 4Å; H356-H360 AromaticContact CE1-CD2 3.75Å; H356-H360 AromaticContact CE1-NE2 3.16Å; H356-H360 PolarHBondContact CE1-NE2 3.14Å; H356-H360 AromaticContact NE2-CD2 3.63Å; H356-H360 AromaticContact NE2-NE2 2.98Å; H356-H360 PolarHBondContact NE2-NE2 3.09Å; I357-H360 WeakPolarHBondContact O-CB 3.22Å; I357-H360 PolarHBondContact O-N 3.11Å; I357-H360 VanDerWaalsContact O-N 3.09Å; L358-H360 VanDerWaalsContact C-N 3.3Å; L358-H360 PolarHBondContact O-N 2.92Å; H360-A363 PolarHBondContact O-N 3.31Å; H360-K364 WeakPolarHBondContact O-CG 3.39Å; H360-K364 PolarHBondContact O-N 2.99Å; H360-K364 VanDerWaalsContact O-N 3.16Å
361A83.4Confident79.1Confident46 Ų4690.5 Ų90.538%0.3848%0.478SS..Hα-helixtrans-64.4-41.5176.200000111.7I357 L358 K364 N365I357-A361 PolarHBondContact O-N 3.15Å; L358-A361 PolarHBondContact O-N 2.91Å; A361-K364 PolarHBondContact O-N 2.94Å; A361-N365 PolarHBondContact O-N 2.9Å
362K76.4Confident78.5Confident154 Ų15494.1 Ų94.167%0.6750%0.495SS*.Hα-helixtrans-66.4-37.3175.7-69.4177.8-176.3-178.30112.5L358 K364 N365L358-K362 WeakPolarHBondContact O-CG 3.37Å; L358-K362 PolarHBondContact O-N 3.24Å; K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 2.74Å; K362-N365 PolarHBondContact O-N 3.08Å
363A67.9Low77.7Confident64 Ų6495.2 Ų95.253%0.52950%0.5SS..Hα-helixtrans-66.6-32.817700000113T359 H360T359-A363 WeakPolarHBondContact O-CB 3.42Å; T359-A363 PolarHBondContact O-N 3.34Å; H360-A363 PolarHBondContact O-N 3.31Å
364K60.7Low76.7Confident145 Ų145100.3 Ų100.363%0.6353%0.527SS*.Hα-helixtrans-75.8-24.8178.1-73.4-174.4179.4-171.70114.6H360 A361 K362H360-K364 WeakPolarHBondContact O-CG 3.39Å; H360-K364 PolarHBondContact O-N 2.99Å; H360-K364 VanDerWaalsContact O-N 3.16Å; A361-K364 PolarHBondContact O-N 2.94Å; K362-K364 VanDerWaalsContact C-N 3.33Å; K362-K364 PolarHBondContact O-N 2.74Å
365N57.3Low75.6Confident142 Ų14299.7 Ų99.776%0.75953%0.532SS*.Hα-helixtrans-84.8-10.5179.1-82.3-8.1000113.9A361 K362A361-N365 PolarHBondContact O-N 2.9Å; K362-N365 PolarHBondContact O-N 3.08Å
366N49.7Very low74.3Confident153 Ų153101.8 Ų101.882%0.81853%0.532SS*.THydrogen-bonded Turntrans-102.818.8179.7-85.3-4000112.8
367Q43.7Very low72.7Confident235 Ų235109.6 Ų109.6100%1.09857%0.574SS**  trans-119.40-178.7-170.3150.321.500112.6

Retrieved 367 of 367 residues in 475.4 ms (Link to these results)