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Polycomb group RING finger protein 6

Transcriptional repressor. May modulate the levels of histone H3K4Me3 by activating KDM5D histone demethylase. Component of a Polycomb group (PcG) multiprotein PRC1-like complex, a complex class required to maintain the transcriptionally repressive state of many genes, including Hox genes, throughout development. PcG PRC1 complex acts via chromatin remodeling and modification of histones; it mediates monoubiquitination of histone H2A 'Lys-119', rendering chromatin heritably changed in its expressibility. Within the PRC1-like complex, regulates RNF2 ubiquitin ligase activity.

AlphaFold DB , UniProt , Accession Q99NA9, Species MOUSE (Mus musculus, Mouse), Gene Pcgf6, Length 353 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
1M47.7Very low48.3Very low231 Ų231157.8 Ų157.8100%1.13887%0.871SS**  0123.80-64179.7-156.700104.6
2D50.6Low48.2Very low154 Ų154161.5 Ų161.582%0.82487%0.872SS**  trans71.295.1174.9-47.8-65.5000114.2
3E45.2Very low48Very low189 Ų189168.7 Ų168.788%0.88388%0.879SS**  62.6108.558.4-62.4-133.612600115.9
4A49.3Very low47.7Very low95 Ų95163.4 Ų163.479%0.78587%0.872SS**  trans68.4108.4138.500000121.1
5E51.2Low47.6Very low191 Ų191160.1 Ų160.189%0.89387%0.867SS**  trans-157.283.2151.2-153.6167.2131.900112.2
6T48.4Very low47.2Very low145 Ų145162.6 Ų162.689%0.8987%0.871SS**  trans-162.292.8156.752.70000109.8
7D47.6Very low47Very low155 Ų155158.2 Ų158.283%0.82986%0.863SS**  trans-172.4104.9145.7-15913.9000110.5
8A50.3Low47.2Very low94 Ų94161.1 Ų161.178%0.77787%0.866SS**  trans-162.342175.900000114.3
9T50.2Low47.1Very low139 Ų139164.8 Ų164.885%0.85387%0.866SS**SBendtrans-147.344172.439.40000114
10E47.2Very low47.1Very low179 Ų179161.6 Ų161.684%0.83686%0.864SS**SBendtrans-151.857.1172.5-145.6164.4131.800112.7
11N43.7Very low47.1Very low164 Ų164158.4 Ų158.488%0.87786%0.855SS**  trans-158.437.3172.6-106.1-18.9000115.9
12K47.1Very low47.3Very low202 Ų202152 Ų15288%0.87884%0.838SS**SBendtrans-122.926.2179.4-148.8173.7-179.5176.40115.3
13R45.8Very low47.4Very low255 Ų255152.9 Ų152.996%0.96284%0.84SS**SBendtrans-124.214.5178.4-89-168.5176.2-168.10.4115.8
14A43.5Very low48.3Very low95 Ų95149.3 Ų149.379%0.78583%0.833SS**SBendtrans-120.512.9-17200000116.4
15S45.4Very low48.9Very low113 Ų113150.2 Ų150.279%0.7983%0.83SS**SBendtrans-121.15.9-17752.40000116.5
16E41.4Very low49.1Very low200 Ų200146.6 Ų146.694%0.93582%0.824SS**  trans-105.258.8175.1-98.9179.1104.700111.8
17A43.7Very low49.8Very low89 Ų89145.2 Ų145.274%0.73682%0.817SS**  trans-149.860.3175.900000111.1
18K51.6Low50.5Low210 Ų210143.2 Ų143.291%0.91381%0.813SS**  trans-158.120.3171-116.5171-169.3-1750116.6
19R45.1Very low51Low231 Ų231144.4 Ų144.487%0.87281%0.812SS**  trans-106.960.8175.3-137.7170.4-169.3-1052.8110.9S21R19-S21 VanDerWaalsContact C-N 3.29Å; R19-S21 PolarHBondContact O-N 3.29Å
20A46.6Very low51.5Low100 Ų100142.1 Ų142.183%0.82680%0.8SS**  trans-71.891164.300000107.5A22A20-A22 PolarHBondContact O-N 3.24Å
21S47.8Very low52Low95 Ų95138.6 Ų138.666%0.66479%0.793SS**  trans-60.6103.3169.6-69.20000108.3R19 M23R19-S21 VanDerWaalsContact C-N 3.29Å; R19-S21 PolarHBondContact O-N 3.29Å; S21-M23 PolarHBondContact O-N 3.28Å
22A50.6Low52.4Low96 Ų96134.3 Ų134.379%0.79377%0.774SS**  trans-54.8111.8166.700000108.2A20A20-A22 PolarHBondContact O-N 3.24Å
23M53.3Low52.6Low174 Ų174130.1 Ų130.186%0.85776%0.76SS**PPolyproline II helixtrans-62.7134.3172.6-68.9-175.172.400108.3S21S21-M23 PolarHBondContact O-N 3.28Å
24P63.6Low52.5Low113 Ų113122.8 Ų122.873%0.73475%0.748SS**PPolyproline II helixtrans-61.1146.5174.226.1-32.5000109.7
25P61.8Low52.6Low114 Ų114123.8 Ų123.874%0.7475%0.746SS**PPolyproline II helixtrans-59.4148.9176.526.3-34.1000110.5
26P56.7Low52.6Low116 Ų116124 Ų12475%0.75375%0.745SS**PPolyproline II helixtrans-60.5145.8176.526.2-33.5000110.5
27P63.2Low52.6Low116 Ų116118.8 Ų118.875%0.75374%0.736SS**PPolyproline II helixtrans-61.9150.8175.926.9-33.9000110.9
28P62.1Low52.6Low113 Ų113122.5 Ų122.573%0.73474%0.742SS**PPolyproline II helixtrans-60.8150.9177.926-33.9000111.4
29P60Low52.2Low118 Ų118119.9 Ų119.977%0.76674%0.737SS**PPolyproline II helixtrans-60.3143.9178.425.4-33.4000110.9
30P61.8Low52.2Low91 Ų91114.2 Ų114.259%0.59173%0.73SS**PPolyproline II helixtrans-63.1151.1174.927.3-33.7000110.5
31P56.7Low52.1Low106 Ų106113.7 Ų113.769%0.68873%0.726SS**PPolyproline II helixtrans-59.3148.9177.426.2-34.4000110.7I33P31-I33 PolarHBondContact O-N 3.33Å
32P53.1Low52.3Low73 Ų73115.4 Ų115.447%0.47473%0.734SS.*PPolyproline II helixtrans-60.513317925.2-33.2000110.5S34 F216P32-S34 PolarHBondContact O-N 3.4Å; P32-F216 HydrophobicContact CB-CE2 3.5Å; P32-F216 VanDerWaalsContact CB-CE2 3.5Å; P32-F216 HydrophobicContact CB-CZ 3.76Å; P32-F216 HydrophobicContact CG-CE2 3.76Å; P32-F216 HydrophobicContact CG-CZ 4.23Å
33I51.1Low52Low115 Ų115115.4 Ų115.459%0.5974%0.735SS**PPolyproline II helixtrans-79.9119.9177.5-62-174.6000107.3P31 R164P31-I33 PolarHBondContact O-N 3.33Å; I33-R164 VanDerWaalsContact CD1-NH2 3.27Å
34S43.1Very low51.6Low101 Ų101112.6 Ų112.671%0.70674%0.739SS**PPolyproline II helixtrans-52.4135.4170.4-560000109.8P32P32-S34 PolarHBondContact O-N 3.4Å
35P45.4Very low50.6Low115 Ų115110.6 Ų110.675%0.74774%0.739SS**PPolyproline II helixtrans-55.3143.5176.123-31.9000109.8A37P35-A37 PolarHBondContact O-N 3.37Å
36P46.5Very low49.9Very low118 Ų118114.7 Ų114.777%0.76675%0.748SS**PPolyproline II helixtrans-59.6125.5176.624.2-31.1000108.8L38P36-L38 PolarHBondContact O-N 3.37Å
37A40.4Very low49.3Very low90 Ų90118.5 Ų118.574%0.74476%0.756SS**  trans-57114.3169.900000108.2P35 I39P35-A37 PolarHBondContact O-N 3.37Å; A37-I39 PolarHBondContact O-N 3.06Å
38L44.7Very low48.5Very low167 Ų167116.3 Ų116.387%0.87475%0.754SS**  trans-61.9106.5169.3-73.6170.6000107.2P36 P40P36-L38 PolarHBondContact O-N 3.37Å; L38-P40 WeakPolarHBondContact O-CD 3.38Å
39I41.8Very low47.6Very low155 Ų155117.4 Ų117.480%0.79576%0.762SS**PPolyproline II helixtrans-64.5122.2168.8-59.2173.8000106.4A37 A41A37-I39 PolarHBondContact O-N 3.06Å; I39-A41 PolarHBondContact O-N 3.18Å
40P45.8Very low46.7Very low112 Ų112116.2 Ų116.273%0.72776%0.762SS**PPolyproline II helixtrans-63.2132172-1528.6000108.9L38L38-P40 WeakPolarHBondContact O-CD 3.38Å
41A44.5Very low45.7Very low90 Ų90117 Ų11774%0.74477%0.769SS**PPolyproline II helixtrans-58137.9169.600000109.5I39 A43I39-A41 PolarHBondContact O-N 3.18Å; A41-A43 PolarHBondContact O-N 3.1Å
42P51.2Low45Very low130 Ų130120.4 Ų120.484%0.84478%0.781SS**PPolyproline II helixtrans-66.2124.6179.427-32000109.7
43A44.9Very low44.3Very low97 Ų97120 Ų12080%0.80279%0.79SS**PPolyproline II helixtrans-87150.4160.500000109.1A41A41-A43 PolarHBondContact O-N 3.1Å
44A44.2Very low44Very low114 Ų114123.9 Ų123.994%0.94281%0.806SS**  trans102.6123.6169.100000116.1
45G44.1Very low44Very low71 Ų71124.2 Ų124.273%0.73281%0.814SS**  trans151.565.416500000112.1E47G45-E47 PolarHBondContact O-N 3.07Å
46E46.7Very low43.7Very low201 Ų201122.4 Ų122.494%0.93982%0.817SS**  trans-63.1113.7156.4-77-151.2106.200108.1
47E44.2Very low43.7Very low196 Ų196121.6 Ų121.692%0.91682%0.82SS**  trans-115.791.5162.2-67.4-152.7118.800108.1G45G45-E47 PolarHBondContact O-N 3.07Å
48G45.6Very low44.1Very low70 Ų70122.6 Ų122.672%0.72283%0.828SS**  trans-95.9164.7165.500000111.7
49P43.9Very low43.9Very low136 Ų136118.2 Ų118.288%0.88382%0.823SS**  -105.7160.1-118.536.6-34.2000114.5
50A40.9Very low43.8Very low93 Ų93116.8 Ų116.877%0.76983%0.826SS**  trans-95.8137.3176.200000113.6
51S39.8Very low43.8Very low107 Ų107116.2 Ų116.275%0.74882%0.824SS**  trans84.4104.815274.10000119.2
52L43.4Very low43.9Very low177 Ų177122.7 Ų122.793%0.92783%0.829SS**  -173.9106.9114.3-103.8140.3000112.2
53G38Very low43.7Very low65 Ų65121.9 Ų121.967%0.6783%0.827SS**  trans68.6108.5134.300000121.7
54Q44.7Very low43.6Very low197 Ų197128.6 Ų128.692%0.92183%0.831SS**  133121.2118.7-73.4177.465.700116.4
55A42.8Very low43.7Very low108 Ų108128.3 Ų128.389%0.89382%0.82SS**  trans74.1125.214400000121.3
56G40Very low43.9Very low77 Ų77130.6 Ų130.679%0.79482%0.822SS**  trans137.675.7141.400000119.7
57A46.5Very low43.5Very low101 Ų101125.2 Ų125.284%0.83581%0.812SS**  trans46.7125.5138.600000124.7
58A48.2Very low43.3Very low111 Ų111124.2 Ų124.292%0.91781%0.812SS**  trans55.4142.1136.400000120.4
59G41.8Very low43Very low75 Ų75129.6 Ų129.677%0.77382%0.818SS**  cis179.4173.113.800000109.3
60C39.4Very low42.9Very low125 Ų125129.1 Ų129.185%0.84582%0.815SS**  trans-93162.8-151.7-520000117.8
61S45.4Very low42.8Very low99 Ų99132.8 Ų132.869%0.69282%0.816SS**  trans97.1114.2130-71.60000122.2
62R45.5Very low42.8Very low226 Ų226138.2 Ų138.285%0.85382%0.82SS**  100.3125.7115.5-82.2-179.6172.6-146-1.8121.2
63S48Very low42.6Very low113 Ų113134.8 Ų134.879%0.7981%0.811SS**  trans79.5145.2140-550000117.5
64R43.2Very low42.9Very low238 Ų238140.8 Ų140.890%0.89883%0.827SS**  cis-174.5159.2-5179.5168.5-159.7-1131.9106.1
65P45.6Very low42.6Very low108 Ų108134.9 Ų134.970%0.70182%0.819SS**  trans-107.5-147-16142.7-31.9000113.1
66P48.1Very low42.8Very low119 Ų119141.5 Ų141.577%0.77382%0.821SS**  cis-124.5178.2-49.827.1-6.7000112.8
67A39.2Very low43.2Very low88 Ų88146 Ų14673%0.72783%0.826SS**  trans-179125153.700000116.2
68L39.2Very low43.1Very low175 Ų175151.4 Ų151.492%0.91682%0.824SS**  trans86121.1136.1-56.2170.4000122.3
69E39.1Very low42.9Very low184 Ų184149.3 Ų149.386%0.8681%0.814SS**  trans-82.1167.6168.2-66.2-94.1119.200112.7
70P41.6Very low43.3Very low125 Ų125155.2 Ų155.281%0.81281%0.813SS**  trans-139.5154.9134.632.2-14.6000116.4
71E40Very low43.5Very low171 Ų171157.1 Ų157.180%0.79981%0.807SS**  trans-66.8156.4-174.1-51.6-165.8111.500117.5
72R39.7Very low43.6Very low220 Ų220158.4 Ų158.483%0.8380%0.802SS**  154.2112.4114.3-87.1176.6161.8-176.1-9.5114.5
73S38.8Very low43.8Very low106 Ų106152.6 Ų152.674%0.74179%0.788SS**  29.9117.6127.5-34.10000119.9
74L45.2Very low43.9Very low190 Ų190154.3 Ų154.3100%0.99578%0.779SS**  trans-174.9136.9138.8-101.2166.7000110.2
75G38.7Very low44.9Very low73 Ų73147.3 Ų147.375%0.75376%0.759SS**  trans115.438.1156.400000120.1L77G75-L77 PolarHBondContact O-N 3.15Å
76R45.7Very low45.8Very low248 Ų248148.2 Ų148.294%0.93675%0.754SS**  trans-71.7101.9156.3173.5-174.4-74.5-117.5-1.2107.7
77L48.3Very low46.8Very low171 Ų171148.2 Ų148.290%0.89574%0.743SS**  trans-170.116.5168-107.8170.8000116.3G75G75-L77 PolarHBondContact O-N 3.15Å
78R45.7Very low48.5Very low214 Ų214148.1 Ų148.181%0.80873%0.73SS**  trans-110.915.9-174.7-144.3179.8-168.3-108.52116.5
79G43.6Very low49.9Very low68 Ų68145.6 Ų145.670%0.70171%0.714SS**SBendtrans-114.548.7-176.300000114.3
80R48.7Very low51.6Low198 Ų198143.1 Ų143.175%0.74770%0.702SS**SBendtrans-146.310.8175.9-162.6160-173-167.92114.8
81F44.5Very low53.2Low165 Ų165142.8 Ų142.872%0.72469%0.69SS**SBendtrans-116.8-17.1177.3-154.1-92.3000112.4
82E47.4Very low54.9Low126 Ų126140 Ų14059%0.58968%0.677SS**SBendtrans-81.2-30.4-179.7-66.6169.7167.700111.7Y84 D85E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 2.78Å; E82-D85 PolarHBondContact O-N 2.93Å
83D49.5Very low56.7Low104 Ų104136 Ų13656%0.55667%0.667SS**Hα-helixtrans-67.7-23.9176.2-66.3-18.7000113.9E87D83-E87 PolarHBondContact O-N 3.46Å
84Y51.4Low58.6Low150 Ų150136.4 Ų136.459%0.58866%0.659SS**Hα-helixtrans-79.6-25.2-179.8-85.4-79000113E82E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 2.78Å
85D62.7Low60.2Low91 Ų91133.6 Ų133.649%0.48764%0.641SS.*Hα-helixtrans-76.6-39.2175.3-92.6-41.8000110.1E82 L88 E89E82-D85 PolarHBondContact O-N 2.93Å; D85-L88 PolarHBondContact O-N 3.47Å; D85-E89 WeakPolarHBondContact O-CG 3.23Å; D85-E89 PolarHBondContact O-N 3.4Å
86E65.4Low62.1Low126 Ų126136.5 Ų136.559%0.58964%0.635SS**Hα-helixtrans-64.9-43.4176.7-85.9178.4171.600112.7L88 E89 E90E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.38Å; E86-E89 PolarHBondContact O-N 3Å; E86-E90 PolarHBondContact O-N 3.04Å
87E69.6Low63.6Low119 Ų119130.6 Ų130.656%0.55662%0.618SS**Hα-helixtrans-62.6-33.6176.7-75.7-179174.100112.3D83 E91D83-E87 PolarHBondContact O-N 3.46Å; E87-E91 PolarHBondContact O-N 3.19Å
88L73.4Confident65.1Low87 Ų87128.8 Ų128.846%0.45561%0.605SS.*Hα-helixtrans-72.9-39.1177.7-162.486.4000111.6D85 E86 E91 E92D85-L88 PolarHBondContact O-N 3.47Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 3.38Å; L88-E91 PolarHBondContact O-N 3.35Å; L88-E92 WeakPolarHBondContact O-CG 3.33Å; L88-E92 PolarHBondContact O-N 3.34Å
89E69.8Low66.6Low122 Ų122125.2 Ų125.257%0.5760%0.597SS**Hα-helixtrans-63.5-40.2174.9-73.3178.5-176.300111.3D85 E86 E92 E93D85-E89 WeakPolarHBondContact O-CG 3.23Å; D85-E89 PolarHBondContact O-N 3.4Å; E86-E89 PolarHBondContact O-N 3Å; E89-E92 PolarHBondContact O-N 3.45Å; E89-E93 WeakPolarHBondContact O-CG 3.25Å; E89-E93 PolarHBondContact O-N 3.29Å
90E73.4Confident68.1Low132 Ų132128.7 Ų128.762%0.61760%0.595SS**Hα-helixtrans-66.3-35.7175-71.9-176.2-179.800113.1E86 M94E86-E90 PolarHBondContact O-N 3.04Å; E90-M94 PolarHBondContact O-N 3.04Å
91E76.2Confident69.5Low118 Ų118126.5 Ų126.555%0.55159%0.593SS**Hα-helixtrans-68.3-42.8174.3-77.6-177.5171.100111.7E87 L88 M94 E95E87-E91 PolarHBondContact O-N 3.19Å; L88-E91 PolarHBondContact O-N 3.35Å; E91-M94 PolarHBondContact O-N 3.05Å; E91-E95 PolarHBondContact O-N 3.18Å; E91-E95 VanDerWaalsContact O-N 3.07Å
92E75.8Confident70.9Confident113 Ų113125.3 Ų125.353%0.52859%0.59SS.*Hα-helixtrans-64.4-40176.4-73.1-176.8179.600112L88 E89 E95 E96L88-E92 WeakPolarHBondContact O-CG 3.33Å; L88-E92 PolarHBondContact O-N 3.34Å; E89-E92 PolarHBondContact O-N 3.45Å; E92-E95 PolarHBondContact O-N 2.94Å; E92-E96 PolarHBondContact O-N 3.13Å
93E77.4Confident72.1Confident135 Ų135126.4 Ų126.463%0.63160%0.595SS**Hα-helixtrans-65.1-36.9175.7-75.4-171.7171.900112.6E89 E97E89-E93 WeakPolarHBondContact O-CG 3.25Å; E89-E93 PolarHBondContact O-N 3.29Å; E93-E97 PolarHBondContact O-N 3.2Å; E93-E97 VanDerWaalsContact O-N 3.1Å
94M78.4Confident73.1Confident114 Ų114127.6 Ų127.656%0.56260%0.599SS**Hα-helixtrans-67.9-40.1174.3-85-169.5-62.800112.5E90 E91 E96 E97 E98E90-M94 PolarHBondContact O-N 3.04Å; E91-M94 PolarHBondContact O-N 3.05Å; M94-E96 VanDerWaalsContact C-N 3.35Å; M94-E97 PolarHBondContact O-N 3.45Å; M94-E98 PolarHBondContact O-N 3.49Å
95E79.5Confident73.9Confident132 Ų132123.4 Ų123.462%0.61759%0.592SS**Hα-helixtrans-64.1-39176-73.3-172.7172.700111.3E91 E92 E98 E99E91-E95 PolarHBondContact O-N 3.18Å; E91-E95 VanDerWaalsContact O-N 3.07Å; E92-E95 PolarHBondContact O-N 2.94Å; E95-E98 PolarHBondContact O-N 3.31Å; E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å
96E77.7Confident74.1Confident133 Ų133123.6 Ų123.662%0.62159%0.59SS**Hα-helixtrans-65.2-40.4174.4-73.1-170.9173.500112.7E92 M94 E99 E100E92-E96 PolarHBondContact O-N 3.13Å; M94-E96 VanDerWaalsContact C-N 3.35Å; E96-E99 PolarHBondContact O-N 3.48Å; E96-E100 WeakPolarHBondContact O-CG 3.22Å; E96-E100 PolarHBondContact O-N 3.08Å
97E77.5Confident73.7Confident124 Ų124124.1 Ų124.158%0.57959%0.59SS**Hα-helixtrans-66.8-39175.8-73.5-166.4160.900112.3E93 M94 E100 E101E93-E97 PolarHBondContact O-N 3.2Å; E93-E97 VanDerWaalsContact O-N 3.1Å; M94-E97 PolarHBondContact O-N 3.45Å; E97-E100 PolarHBondContact O-N 3.49Å; E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.1Å
98E79.4Confident73.1Confident134 Ų134121.7 Ų121.763%0.62659%0.586SS**Hα-helixtrans-65.2-41.3174.2-74.5-170.4171.500111.7M94 E95 E101 E102M94-E98 PolarHBondContact O-N 3.49Å; E95-E98 PolarHBondContact O-N 3.31Å; E98-E101 PolarHBondContact O-N 3.45Å; E98-E102 WeakPolarHBondContact O-CB 3.35Å; E98-E102 WeakPolarHBondContact O-CG 3.39Å; E98-E102 PolarHBondContact O-N 3.31Å
99E76.4Confident72.2Confident139 Ų139122.8 Ų122.865%0.6559%0.592SS**Hα-helixtrans-63.7-39.6174.6-75.7-168.9171.400112.3E95 E96 E102 E103E95-E99 WeakPolarHBondContact O-CG 3.41Å; E95-E99 PolarHBondContact O-N 3.2Å; E96-E99 PolarHBondContact O-N 3.48Å; E99-E102 PolarHBondContact O-N 3.46Å; E99-E103 WeakPolarHBondContact O-CB 3.27Å; E99-E103 PolarHBondContact O-N 3.41Å
100E76.2Confident71.6Confident141 Ų141125.4 Ų125.466%0.65960%0.597SS**Hα-helixtrans-66.3-38.9175-75.9-165.9168.400112.2E96 E97 M104E96-E100 WeakPolarHBondContact O-CG 3.22Å; E96-E100 PolarHBondContact O-N 3.08Å; E97-E100 PolarHBondContact O-N 3.49Å; E100-M104 VanDerWaalsContact O-CB 3.27Å; E100-M104 WeakPolarHBondContact O-CB 3.34Å; E100-M104 PolarHBondContact O-N 2.97Å
101E77.1Confident70.7Confident151 Ų151125.7 Ų125.771%0.70660%0.602SS**Hα-helixtrans-66.8-40.8173.8-75.1-162.9167.900111.8E97 E98 M104 S105E97-E101 WeakPolarHBondContact O-CG 3.26Å; E97-E101 PolarHBondContact O-N 3.1Å; E98-E101 PolarHBondContact O-N 3.45Å; E101-M104 PolarHBondContact O-N 3.08Å; E101-S105 WeakPolarHBondContact O-CB 3.21Å; E101-S105 PolarHBondContact O-N 3.36Å
102E74.2Confident69.6Low141 Ų141127.8 Ų127.866%0.65961%0.612SS**Hα-helixtrans-64.7-43.7174.6-75.5-158.5165.400111.6E98 E99 S105 H106E98-E102 WeakPolarHBondContact O-CB 3.35Å; E98-E102 WeakPolarHBondContact O-CG 3.39Å; E98-E102 PolarHBondContact O-N 3.31Å; E99-E102 PolarHBondContact O-N 3.46Å; E102-S105 PolarHBondContact O-N 3.23Å; E102-S105 PolarHBondContact O-OG 3Å; E102-H106 VanDerWaalsContact O-CB 3.28Å; E102-H106 WeakPolarHBondContact O-CB 3.41Å; E102-H106 PolarHBondContact O-N 3.2Å
103E73.3Confident68.3Low149 Ų149127.7 Ų127.770%0.69662%0.623SS**Hα-helixtrans-63.3-40.7174.5-79.6-147.7143.700112E99 H106 F107E99-E103 WeakPolarHBondContact O-CB 3.27Å; E99-E103 PolarHBondContact O-N 3.41Å; E103-H106 PolarHBondContact O-N 3.2Å; E103-F107 WeakPolarHBondContact O-CB 3.5Å; E103-F107 PolarHBondContact O-N 3.43Å
104M69.8Low66.7Low129 Ų129124.1 Ų124.164%0.63562%0.622SS**Hα-helixtrans-65.3-38.2176.4-171.365.962.800112E100 E101 S108E100-M104 VanDerWaalsContact O-CB 3.27Å; E100-M104 WeakPolarHBondContact O-CB 3.34Å; E100-M104 PolarHBondContact O-N 2.97Å; E101-M104 PolarHBondContact O-N 3.08Å; M104-S108 PolarHBondContact O-N 2.98Å; M104-S108 VanDerWaalsContact O-N 3.17Å; M104-S108 PolarHBondContact O-OG 3.26Å
105S68.1Low65.2Low62 Ų62130.1 Ų130.143%0.43464%0.639SS.*Hα-helixtrans-70.2-41.5175.783.50000111.7E101 E102 F107 S108 L109E101-S105 WeakPolarHBondContact O-CB 3.21Å; E101-S105 PolarHBondContact O-N 3.36Å; E102-S105 PolarHBondContact O-N 3.23Å; E102-S105 PolarHBondContact O-OG 3Å; S105-F107 PolarHBondContact O-N 3.02Å; S105-S108 WeakPolarHBondContact O-CB 3.43Å; S105-S108 PolarHBondContact O-N 3.44Å; S105-L109 WeakPolarHBondContact O-CG 3.34Å; S105-L109 PolarHBondContact O-N 3.24Å
106H67.8Low63.3Low95 Ų95129 Ų12944%0.4465%0.652SS.*Hα-helixtrans-71-30.8179.1-179-121000112.2E102 E103 R110E102-H106 VanDerWaalsContact O-CB 3.28Å; E102-H106 WeakPolarHBondContact O-CB 3.41Å; E102-H106 PolarHBondContact O-N 3.2Å; E103-H106 PolarHBondContact O-N 3.2Å; H106-R110 VanDerWaalsContact CE1-CZ 3.47Å; H106-R110 PolarHBondContact CE1-NH1 3.44Å; H106-R110 WeakPolarHBondContact O-CB 3.49Å; H106-R110 PolarHBondContact O-N 3.35Å; H106-R110 VanDerWaalsContact O-N 3.12Å
107F56.1Low61.8Low136 Ų136130.1 Ų130.160%0.59666%0.662SS**Hα-helixtrans-67.2-38.8170-168.5-98.6000111.8E103 S105 R110 L111E103-F107 WeakPolarHBondContact O-CB 3.5Å; E103-F107 PolarHBondContact O-N 3.43Å; S105-F107 PolarHBondContact O-N 3.02Å; F107-R110 PolarHBondContact O-N 2.86Å; F107-L111 PolarHBondContact O-N 3.21Å
108S58.6Low60.2Low68 Ų68128.7 Ų128.748%0.47667%0.666SS.*Hα-helixtrans-67.4-40176.4-59.90000111.9M104 S105 R110 L111M104-S108 PolarHBondContact O-N 2.98Å; M104-S108 VanDerWaalsContact O-N 3.17Å; M104-S108 PolarHBondContact O-OG 3.26Å; S105-S108 WeakPolarHBondContact O-CB 3.43Å; S105-S108 PolarHBondContact O-N 3.44Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.46Å; S108-L111 PolarHBondContact O-N 3.08Å
109L54.3Low58.8Low111 Ų111130.8 Ų130.858%0.58168%0.676SS**Hα-helixtrans-70-22.8175.1-67.6174.6000113.5S105S105-L109 WeakPolarHBondContact O-CG 3.34Å; S105-L109 PolarHBondContact O-N 3.24Å
110R56.3Low57.5Low177 Ų177131.8 Ų131.867%0.66869%0.686SS**Hα-helixtrans-80.4-20.3175-93.9179.3163.2156.10.6114.1H106 F107 S108 E112H106-R110 VanDerWaalsContact CE1-CZ 3.47Å; H106-R110 PolarHBondContact CE1-NH1 3.44Å; H106-R110 WeakPolarHBondContact O-CB 3.49Å; H106-R110 PolarHBondContact O-N 3.35Å; H106-R110 VanDerWaalsContact O-N 3.12Å; F107-R110 PolarHBondContact O-N 2.86Å; S108-R110 VanDerWaalsContact C-N 3.3Å; S108-R110 PolarHBondContact O-N 3.46Å; R110-E112 VanDerWaalsContact C-N 3.3Å
111L55.3Low56.5Low138 Ų138134 Ų13472%0.72370%0.696SS**Hα-helixtrans-78.8-14.9173.6-127.773.7000112.9F107 S108F107-L111 PolarHBondContact O-N 3.21Å; S108-L111 PolarHBondContact O-N 3.08Å
112E52.9Low55.3Low162 Ų162135.2 Ų135.276%0.75770%0.702SS**SBendtrans-93.2-3-178.6-66.2-169.7138.100114.5R110R110-E112 VanDerWaalsContact C-N 3.3Å
113S47Very low54.6Low111 Ų111135.9 Ų135.978%0.77671%0.705SS**  trans-10761178.8-175.30000111.9
114G43.7Very low54.1Low59 Ų59140 Ų14061%0.60871%0.714SS**SBendtrans-151.274.8-175.300000114.6
115R48.1Very low54Low241 Ų241141.1 Ų141.191%0.90972%0.722SS**  trans66.7108.4160.5-62.6-177.2174.992.22117.2D117R115-D117 PolarHBondContact O-N 2.88Å
116A38.7Very low54.3Low109 Ų109142.8 Ų142.890%0.90173%0.725SS**  trans-60.2112.7154.800000110.2
117D46.2Very low54.8Low155 Ų155142.6 Ų142.683%0.82973%0.727SS**  trans-143.5131.3150.6-149.83.8000108.3R115R115-D117 PolarHBondContact O-N 2.88Å
118S44.5Very low56Low94 Ų94139.1 Ų139.166%0.65771%0.714SS**  trans-71.2140-174.9460000112.4
119E51Low57.2Low178 Ų178141.2 Ų141.283%0.83272%0.724SS**  trans173.697.3145.5-95.9162.2-160.100109.5E121E119-E121 PolarHBondContact O-N 3.38Å; E119-E121 VanDerWaalsContact O-N 3.15Å
120D48.3Very low58.6Low160 Ų160142.6 Ų142.686%0.85673%0.727SS**  trans28.672.5147.2-50.4-46.8000118.5E122D120-E122 PolarHBondContact O-N 2.89Å
121E54.7Low60.1Low187 Ų187136 Ų13687%0.87471%0.705SS**  trans-74.377.2155.1-78.5-149.9121.400108.7E119 E123E119-E121 PolarHBondContact O-N 3.38Å; E119-E121 VanDerWaalsContact O-N 3.15Å; E121-E123 PolarHBondContact O-N 3.3Å
122E52.6Low61.7Low178 Ų178131.7 Ų131.783%0.83269%0.685SS**  trans-64.685.3161.4-169.6168.4-159.300107.1D120 R124D120-E122 PolarHBondContact O-N 2.89Å; E122-R124 PolarHBondContact O-N 3.24Å
123E59.8Low63.5Low155 Ų155128 Ų12872%0.72468%0.675SS**  trans-46.7106.6169.6-70.4-178.717700107.2E121 L125E121-E123 PolarHBondContact O-N 3.3Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.98Å
124R63.1Low65.7Low235 Ų235130.8 Ų130.889%0.88767%0.67SS**  trans-62.995.1178.4-70.7-176.7-176.4122.92.7107.8E122 I126E122-R124 PolarHBondContact O-N 3.24Å; R124-I126 PolarHBondContact O-N 3.05Å
125L67.7Low68.1Low153 Ų153128.1 Ų128.180%0.80164%0.642SS**  trans-65.4107.3174.8-65.2176.8000108.1E123E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.98Å
126I74Confident70.4Confident97 Ų97119.3 Ų119.350%0.49761%0.612SS.*  trans-79.5133.1174-54.4170.8000107.9R124 L128 L131 L201R124-I126 PolarHBondContact O-N 3.05Å; I126-L128 PolarHBondContact O-N 3.27Å; I126-L131 HydrophobicContact CB-CD1 4.13Å; I126-L131 HydrophobicContact CG2-CD1 3.48Å; I126-L131 VanDerWaalsContact CG2-CD1 3.48Å; I126-L131 HydrophobicContact CG2-CD2 4.42Å; I126-L131 HydrophobicContact CG2-CG 3.95Å; I126-L201 HydrophobicContact CD1-CD2 4.04Å
127N78.2Confident73.2Confident90 Ų90114.1 Ų114.148%0.48157%0.569SS.*  trans-66.3104.7175.5-168.9-25.1000110.3V129 E130N127-V129 PolarHBondContact O-N 2.99Å; N127-V129 VanDerWaalsContact OD1-CB 3.3Å; N127-V129 WeakPolarHBondContact OD1-CB 3.48Å; N127-V129 WeakPolarHBondContact OD1-CG2 3.46Å; N127-V129 PolarHBondContact OD1-N 3.32Å; N127-V129 VanDerWaalsContact OD1-N 3.09Å; N127-E130 HydrophobicContact CB-CG 4.44Å; N127-E130 PolarHBondContact O-N 3.48Å; N127-E130 VanDerWaalsContact O-N 3.08Å
128L80.6Confident75.5Confident64 Ų64108.8 Ų108.834%0.33554%0.544SS..Hα-helixtrans-57.1-24.9-178.5-68179.3000113.4I126 E130 L131 T132I126-L128 PolarHBondContact O-N 3.27Å; L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.99Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.06Å; L128-L131 VanDerWaalsContact O-N 3.17Å; L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 2.92Å
129V83.6Confident78Confident111 Ų111107.2 Ų107.267%0.67353%0.528SS*.Hα-helixtrans-62-37.1179-178.40000111N127 L131 T132N127-V129 PolarHBondContact O-N 2.99Å; N127-V129 VanDerWaalsContact OD1-CB 3.3Å; N127-V129 WeakPolarHBondContact OD1-CB 3.48Å; N127-V129 WeakPolarHBondContact OD1-CG2 3.46Å; N127-V129 PolarHBondContact OD1-N 3.32Å; N127-V129 VanDerWaalsContact OD1-N 3.09Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-T132 WeakPolarHBondContact CA-OG1 3.49Å; V129-T132 WeakPolarHBondContact O-CB 3.41Å; V129-T132 PolarHBondContact O-OG1 3.26Å
130E84.9Confident80.2Confident140 Ų140102 Ų10265%0.65451%0.51SS*.Hα-helixtrans-73.7-28.3179.1-61.9-178.1-174.800112.2N127 L128 P133N127-E130 HydrophobicContact CB-CG 4.44Å; N127-E130 PolarHBondContact O-N 3.48Å; N127-E130 VanDerWaalsContact O-N 3.08Å; L128-E130 VanDerWaalsContact C-N 3.25Å; L128-E130 PolarHBondContact O-N 2.99Å; E130-P133 WeakPolarHBondContact O-CD 3.39Å
131L87.9Confident82.4Confident39 Ų39101.5 Ų101.520%0.20450%0.5CS..Hα-helixtrans-85.2-22.6179.8-63.3176000113.4I126 L128 V129 P133 Y134 I135 L201I126-L131 HydrophobicContact CB-CD1 4.13Å; I126-L131 HydrophobicContact CG2-CD1 3.48Å; I126-L131 VanDerWaalsContact CG2-CD1 3.48Å; I126-L131 HydrophobicContact CG2-CD2 4.42Å; I126-L131 HydrophobicContact CG2-CG 3.95Å; L128-L131 HydrophobicContact CD2-CD1 4.36Å; L128-L131 PolarHBondContact O-N 3.06Å; L128-L131 VanDerWaalsContact O-N 3.17Å; V129-L131 VanDerWaalsContact C-N 3.33Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; L131-P133 VanDerWaalsContact O-N 3.16Å; L131-Y134 WeakPolarHBondContact O-CB 3.16Å; L131-Y134 PolarHBondContact O-N 3.5Å; L131-I135 HydrophobicContact CB-CD1 4.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.25Å; L131-L201 HydrophobicContact CD1-CD1 4.08Å; L131-L201 HydrophobicContact CD1-CD2 4.09Å
132T88.6Confident84.3Confident48 Ų4894 Ų9429%0.29447%0.472SS..Hα-helixtrans-42.5-47.8-178.6-63.70000114.5L128 V129 Y134 I135 L136L128-T132 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-OG1 2.92Å; V129-T132 WeakPolarHBondContact CA-OG1 3.49Å; V129-T132 WeakPolarHBondContact O-CB 3.41Å; V129-T132 PolarHBondContact O-OG1 3.26Å; T132-Y134 PolarHBondContact O-N 3.1Å; T132-Y134 VanDerWaalsContact O-N 3.15Å; T132-I135 PolarHBondContact O-N 2.87Å; T132-L136 HydrophobicContact CG2-CD1 3.3Å; T132-L136 HydrophobicContact CG2-CG 3.82Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 VanDerWaalsContact O-CG 3.3Å; T132-L136 WeakPolarHBondContact O-CG 3.21Å; T132-L136 PolarHBondContact O-N 3.16Å
133P90.5Very high86.4Confident85 Ų8589.1 Ų89.155%0.55245%0.447SS*.Hα-helixtrans-65.9-15.6179.825.1-34.9000115.2E130 L131E130-P133 WeakPolarHBondContact O-CD 3.39Å; L131-P133 VanDerWaalsContact C-CD 3.41Å; L131-P133 VanDerWaalsContact O-N 3.16Å
134Y92.4Very high88.2Confident168 Ų16881.9 Ų81.966%0.65941%0.413SS*.Hα-helixtrans-100.9-22-177.8-52.3-75.5000113.2L131 T132L131-Y134 WeakPolarHBondContact O-CB 3.16Å; L131-Y134 PolarHBondContact O-N 3.5Å; T132-Y134 PolarHBondContact O-N 3.1Å; T132-Y134 VanDerWaalsContact O-N 3.15Å
135I94.6Very high89.9Confident4 Ų472.1 Ų72.12%0.02138%0.378CS..Hα-helixtrans-111.2-5-174.565.8179.7000114.2L131 T132 Y143 L144 V198 L201 V202L131-I135 HydrophobicContact CB-CD1 4.22Å; L131-I135 WeakPolarHBondContact O-CG1 3.29Å; L131-I135 PolarHBondContact O-N 3.25Å; T132-I135 PolarHBondContact O-N 2.87Å; I135-Y143 HydrophobicContact CD1-CD1 3.94Å; I135-Y143 HydrophobicContact CD1-CE1 3.66Å; I135-Y143 HydrophobicContact CG1-CD1 3.99Å; I135-Y143 HydrophobicContact CG1-CE1 4.07Å; I135-Y143 WeakPolarHBondContact O-CA 3.19Å; I135-L144 WeakPolarHBondContact O-CG 3.5Å; I135-L144 PolarHBondContact O-N 2.84Å; I135-V198 HydrophobicContact CB-CG2 4.04Å; I135-V198 HydrophobicContact CG2-CG2 3.98Å; I135-L201 HydrophobicContact CG2-CD1 4.37Å; I135-V202 HydrophobicContact CD1-CG2 4.02Å
136L96.2Very high91.3Very high55 Ų5568.4 Ų68.429%0.28836%0.359SS..BIsolated β-bridgetrans-98.7139.8177.8-66.4-169.5000112.9T132 G142 Y143T132-L136 HydrophobicContact CG2-CD1 3.3Å; T132-L136 HydrophobicContact CG2-CG 3.82Å; T132-L136 WeakPolarHBondContact O-CB 3.41Å; T132-L136 VanDerWaalsContact O-CG 3.3Å; T132-L136 WeakPolarHBondContact O-CG 3.21Å; T132-L136 PolarHBondContact O-N 3.16Å; L136-G142 CarbonylContact C-O 3.6Å; L136-G142 WeakPolarHBondContact CA-O 3.42Å; L136-G142 VanDerWaalsContact CD2-C 3.48Å; L136-G142 WeakPolarHBondContact CD2-O 3.48Å; L136-Y143 HydrophobicContact CD2-CD1 3.48Å; L136-Y143 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y143 HydrophobicContact CD2-CE1 3.74Å; L136-Y143 HydrophobicContact CD2-CG 4Å
137C97.8Very high92.4Very high1 Ų163.9 Ų63.91%0.00734%0.337CS..  trans-75.5125.5169.6-177.60000110.8I139 C140 K141 G142 L144 C158C137-I139 PolarHBondContact O-N 3.03Å; C137-I139 PolarHBondContact SG-N 3.42Å; C137-C140 VanDerWaalsContact CB-SG 3.54Å; C137-K141 WeakPolarHBondContact O-CA 3.26Å; C137-K141 PolarHBondContact O-N 2.9Å; C137-G142 PolarHBondContact N-O 3.45Å; C137-L144 HydrophobicContact CB-CD2 3.87Å; C137-C158 WeakPolarHBondContact CB-SG 3.2Å; C137-C158 PolarHBondContact SG-N 3.22Å
138S95.4Very high93.3Very high42 Ų4259.8 Ų59.829%0.29432%0.315SS..THydrogen-bonded Turntrans-72.6-11.9179.662.70000114.6K141 F157S138-K141 VanDerWaalsContact O-CE 3.31Å; S138-K141 WeakPolarHBondContact O-CE 3.48Å; S138-K141 PolarHBondContact O-NZ 3.28Å; S138-F157 WeakPolarHBondContact OG-CE1 3.3Å
139I96.5Very high94.2Very high62 Ų6257.4 Ų57.432%0.31830%0.303SS..THydrogen-bonded Turntrans-83.3-60.6175.2-62.1167000110.6C137 F157 C161 I162 H165 P173C137-I139 PolarHBondContact O-N 3.03Å; C137-I139 PolarHBondContact SG-N 3.42Å; I139-F157 HydrophobicContact CD1-CB 4.33Å; I139-F157 HydrophobicContact CD1-CD1 3.62Å; I139-F157 HydrophobicContact CD1-CE1 4.21Å; I139-F157 HydrophobicContact CD1-CG 4.15Å; I139-F157 HydrophobicContact CG1-CD1 3.75Å; I139-F157 HydrophobicContact CG1-CE1 4.12Å; I139-C161 HydrophobicContact CB-CB 3.96Å; I139-C161 HydrophobicContact CD1-CB 3.77Å; I139-C161 HydrophobicContact CG1-CB 4.48Å; I139-C161 HydrophobicContact CG2-CB 3.97Å; I139-I162 HydrophobicContact CD1-CD1 4.46Å; I139-H165 HydrophobicContact CD1-CB 4.23Å; I139-P173 HydrophobicContact CD1-CB 4.48Å; I139-P173 HydrophobicContact CD1-CG 3.84Å; I139-P173 HydrophobicContact CG1-CB 4.18Å; I139-P173 HydrophobicContact CG1-CG 4.08Å
140C96.8Very high94.8Very high67 Ų6752.1 Ų52.145%0.45327%0.271SS..THydrogen-bonded Turntrans-88-11-176.966.20000114.4C137 G142C137-C140 VanDerWaalsContact CB-SG 3.54Å; C140-G142 PolarHBondContact O-N 2.87Å; C140-G142 VanDerWaalsContact O-N 3.16Å
141K94.9Very high95.3Very high151 Ų15148.1 Ų48.166%0.65726%0.256SS*.SBendtrans62.310.6-175.6-46.7-56.8-173.4-171.70115C137 S138C137-K141 WeakPolarHBondContact O-CA 3.26Å; C137-K141 PolarHBondContact O-N 2.9Å; S138-K141 VanDerWaalsContact O-CE 3.31Å; S138-K141 WeakPolarHBondContact O-CE 3.48Å; S138-K141 PolarHBondContact O-NZ 3.28Å
142G95.4Very high95.5Very high28 Ų2851.6 Ų51.629%0.28927%0.271SS..SBendtrans-96.9178.2170.500000112.4L136 C137 C140L136-G142 CarbonylContact C-O 3.6Å; L136-G142 WeakPolarHBondContact CA-O 3.42Å; L136-G142 VanDerWaalsContact CD2-C 3.48Å; L136-G142 WeakPolarHBondContact CD2-O 3.48Å; C137-G142 PolarHBondContact N-O 3.45Å; C140-G142 PolarHBondContact O-N 2.87Å; C140-G142 VanDerWaalsContact O-N 3.16Å
143Y96.4Very high95.9Very high76 Ų7650.7 Ų50.730%0.29827%0.266SS..BIsolated β-bridgetrans-60.8152.1172.2-62.7-69.3000111.3I135 L136 I145 V202 L205I135-Y143 HydrophobicContact CD1-CD1 3.94Å; I135-Y143 HydrophobicContact CD1-CE1 3.66Å; I135-Y143 HydrophobicContact CG1-CD1 3.99Å; I135-Y143 HydrophobicContact CG1-CE1 4.07Å; I135-Y143 WeakPolarHBondContact O-CA 3.19Å; L136-Y143 HydrophobicContact CD2-CD1 3.48Å; L136-Y143 VanDerWaalsContact CD2-CD1 3.48Å; L136-Y143 HydrophobicContact CD2-CE1 3.74Å; L136-Y143 HydrophobicContact CD2-CG 4Å; Y143-I145 PolarHBondContact O-N 2.76Å; Y143-V202 HydrophobicContact CD1-CG2 3.81Å; Y143-V202 HydrophobicContact CD2-CG1 4.2Å; Y143-V202 HydrophobicContact CE1-CG1 4.35Å; Y143-V202 HydrophobicContact CE1-CG2 3.72Å; Y143-V202 HydrophobicContact CE2-CG1 3.89Å; Y143-V202 HydrophobicContact CG-CG2 4.34Å; Y143-L205 HydrophobicContact CD2-CD1 4.04Å; Y143-L205 HydrophobicContact CD2-CD2 4.44Å; Y143-L205 HydrophobicContact CG-CD1 4.45Å; Y143-L205 HydrophobicContact CG-CD2 4.12Å
144L97.6Very high96.2Very high3 Ų352.9 Ų52.92%0.01627%0.273CS..  trans-65.2123175.5-67.6165.5000110.1I135 C137 A147 T156 F157 L194 Q195 V198I135-L144 WeakPolarHBondContact O-CG 3.5Å; I135-L144 PolarHBondContact O-N 2.84Å; C137-L144 HydrophobicContact CB-CD2 3.87Å; L144-A147 HydrophobicContact CB-CB 4.22Å; L144-T156 HydrophobicContact CD1-CG2 4.19Å; L144-T156 HydrophobicContact CD2-CG2 4.28Å; L144-F157 VanDerWaalsContact CD2-C 3.44Å; L144-L194 HydrophobicContact CD1-CD2 3.69Å; L144-L194 HydrophobicContact CD1-CG 4.26Å; L144-Q195 PolarHBondContact O-NE2 2.77Å; L144-Q195 PolarHBondContact O-OE1 3.23Å; L144-V198 HydrophobicContact CB-CG2 4.3Å; L144-V198 HydrophobicContact CD1-CG2 4.35Å
145I97.6Very high96.4Very high30 Ų3046.8 Ų46.815%0.15425%0.25CS..SBendtrans-120.3128.9171.5-56.5-60.8000107Y143 C158 K159 Y199 L205 E209Y143-I145 PolarHBondContact O-N 2.76Å; I145-C158 PolarHBondContact N-SG 3.45Å; I145-C158 VanDerWaalsContact N-SG 3.4Å; I145-C158 WeakPolarHBondContact O-CA 3.31Å; I145-C158 WeakPolarHBondContact O-CB 3.23Å; I145-K159 PolarHBondContact O-N 3.06Å; I145-Y199 HydrophobicContact CD1-CE1 4.14Å; I145-L205 HydrophobicContact CD1-CD1 4.29Å; I145-L205 HydrophobicContact CD1-CD2 4.48Å; I145-L205 HydrophobicContact CD1-CG 4.35Å; I145-E209 HydrophobicContact CD1-CB 4.35Å; I145-E209 HydrophobicContact CD1-CG 4.1Å; I145-E209 HydrophobicContact CG2-CG 3.84Å
146D96.8Very high96.6Very high76 Ų7648.1 Ų48.141%0.40626%0.258SS..SBendtrans46.161.4-165.4-71.7-21.8000111.5T148 K159D146-T148 PolarHBondContact O-N 3.01Å; D146-T148 VanDerWaalsContact O-N 3.1Å; D146-T148 PolarHBondContact O-OG1 2.93Å; D146-K159 HydrophobicContact CB-CB 3.49Å; D146-K159 VanDerWaalsContact CB-CB 3.49Å; D146-K159 HydrophobicContact CB-CD 4.05Å; D146-K159 HydrophobicContact CB-CG 4.45Å; D146-K159 WeakPolarHBondContact O-CB 3.21Å; D146-K159 PolarHBondContact O-N 2.9Å
147A97.8Very high96.7Very high2 Ų245.5 Ų45.52%0.01725%0.245CC..EExtended strand (participates in β ladder)trans-47.3120.9-178.800000110L144 T156 D191 L194 Q195L144-A147 HydrophobicContact CB-CB 4.22Å; A147-T156 HydrophobicContact CB-CG2 3.91Å; A147-D191 HydrophobicContact CB-CB 4.27Å; A147-D191 PolarHBondContact O-N 3.39Å; A147-L194 HydrophobicContact CB-CB 4.39Å; A147-L194 HydrophobicContact CB-CD2 4.33Å; A147-L194 HydrophobicContact CB-CG 4.43Å; A147-Q195 HydrophobicContact CB-CB 4.07Å
148T98Very high96.7Very high3 Ų345.6 Ų45.62%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-128114.1-174.3-61.20000109D146 T156 F157 K159 I162 I188 R189 L190D146-T148 PolarHBondContact O-N 3.01Å; D146-T148 VanDerWaalsContact O-N 3.1Å; D146-T148 PolarHBondContact O-OG1 2.93Å; T148-T156 WeakPolarHBondContact O-CA 3.36Å; T148-F157 PolarHBondContact N-O 3Å; T148-F157 PolarHBondContact O-N 3.37Å; T148-K159 WeakPolarHBondContact OG1-CA 3.19Å; T148-K159 VanDerWaalsContact OG1-CB 3.3Å; T148-K159 WeakPolarHBondContact OG1-CB 3.35Å; T148-K159 PolarHBondContact OG1-N 3.47Å; T148-I162 HydrophobicContact CG2-CG2 3.68Å; T148-I188 HydrophobicContact CG2-CB 3.77Å; T148-I188 HydrophobicContact CG2-CD1 4.07Å; T148-I188 HydrophobicContact CG2-CG1 4.39Å; T148-I188 HydrophobicContact CG2-CG2 4.27Å; T148-R189 CarbonylContact C-O 3.51Å; T148-R189 WeakPolarHBondContact CA-O 3.18Å; T148-L190 WeakPolarHBondContact OG1-CD2 3.44Å
149T97.8Very high96.8Very high15 Ų1548.1 Ų48.19%0.09225%0.251CS..EExtended strand (participates in β ladder)trans-99.9133.4-173.5-61.30000110.3L154 T156 I188 R189 D191T149-L154 HydrophobicContact CG2-CB 4.45Å; T149-L154 HydrophobicContact CG2-CD2 4.26Å; T149-T156 VanDerWaalsContact OG1-CG2 3.25Å; T149-T156 WeakPolarHBondContact OG1-CG2 3.38Å; T149-T156 PolarHBondContact OG1-OG1 3.05Å; T149-I188 WeakPolarHBondContact O-CA 3.4Å; T149-R189 PolarHBondContact N-O 3.05Å; T149-R189 PolarHBondContact O-N 3.41Å; T149-D191 WeakPolarHBondContact OG1-CB 3.5Å; T149-D191 PolarHBondContact OG1-OD2 2.96Å
150I96.8Very high96.8Very high0 Ų048.5 Ų48.50%026%0.26CS..EExtended strand (participates in β ladder)trans-76.8124.8171-60171.7000108.7E152 L154 H155 F157 I162 F166 C172 V179 N187 I188I150-E152 VanDerWaalsContact C-N 3.34Å; I150-E152 HydrophobicContact CG2-CB 4.37Å; I150-E152 PolarHBondContact O-N 3.03Å; I150-L154 VanDerWaalsContact O-CA 3.24Å; I150-L154 WeakPolarHBondContact O-CA 3.25Å; I150-L154 PolarHBondContact O-N 3.07Å; I150-H155 PolarHBondContact N-O 2.86Å; I150-F157 HydrophobicContact CD1-CD2 4.22Å; I150-F157 HydrophobicContact CD1-CE2 3.57Å; I150-F157 HydrophobicContact CD1-CZ 4.46Å; I150-F157 HydrophobicContact CG1-CD2 4.46Å; I150-F157 HydrophobicContact CG1-CE2 4.2Å; I150-I162 HydrophobicContact CD1-CD1 4.09Å; I150-I162 HydrophobicContact CG1-CG1 4.49Å; I150-F166 HydrophobicContact CD1-CZ 4.05Å; I150-F166 HydrophobicContact CG1-CZ 4.22Å; I150-C172 HydrophobicContact CD1-CB 3.94Å; I150-V179 HydrophobicContact CD1-CG2 4.05Å; I150-V179 HydrophobicContact CG2-CB 4.3Å; I150-V179 HydrophobicContact CG2-CG1 3.62Å; I150-V179 HydrophobicContact CG2-CG2 3.82Å; I150-N187 CarbonylContact C-O 3.52Å; I150-N187 WeakPolarHBondContact CA-O 3.27Å; I150-I188 HydrophobicContact CB-CG2 4.39Å; I150-I188 HydrophobicContact CG1-CG2 3.79Å
151T94.9Very high96.8Very high56 Ų5645.8 Ų45.834%0.34424%0.241SC..THydrogen-bonded Turntrans-64.3-36.8-175.255.10000113N187 R189T151-N187 PolarHBondContact N-O 3.21Å; T151-N187 WeakPolarHBondContact OG1-CA 3.21Å; T151-N187 WeakPolarHBondContact OG1-CB 3.49Å; T151-N187 PolarHBondContact OG1-O 3.14Å; T151-R189 HydrophobicContact CG2-CG 3.92Å
152E93.7Very high96.9Very high112 Ų11238.6 Ų38.652%0.52321%0.21SC..THydrogen-bonded Turntrans-71.9-30-174.8-59.3-54.9125.300114.7I150 I177 V179 N187I150-E152 VanDerWaalsContact C-N 3.34Å; I150-E152 HydrophobicContact CG2-CB 4.37Å; I150-E152 PolarHBondContact O-N 3.03Å; E152-I177 HydrophobicContact CB-CD1 3.84Å; E152-V179 WeakPolarHBondContact CG-O 3.43Å; E152-N187 HydrophobicContact CG-CB 4.47Å; E152-N187 PolarHBondContact OE1-ND2 3.41Å
153C96Very high96.9Very high28 Ų2840.2 Ų40.219%0.18921%0.214CC..THydrogen-bonded Turntrans-130.21.4-176.361.90000114.8H155 C172 I177C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact SG-ND1 3.1Å; C153-C172 VanDerWaalsContact SG-SG 3.61Å; C153-I177 HydrophobicContact CB-CD1 3.55Å; C153-I177 HydrophobicContact CB-CG1 4.15Å
154L96.6Very high96.9Very high132 Ų13241.4 Ų41.469%0.69122%0.218SC*.  trans52.230.4-179.5-53.3179.8000114.2T149 I150T149-L154 HydrophobicContact CG2-CB 4.45Å; T149-L154 HydrophobicContact CG2-CD2 4.26Å; I150-L154 VanDerWaalsContact O-CA 3.24Å; I150-L154 WeakPolarHBondContact O-CA 3.25Å; I150-L154 PolarHBondContact O-N 3.07Å
155H97.6Very high96.8Very high40 Ų4043.8 Ų43.819%0.18523%0.229CC..  trans-90132.8171.3-72.8123.2000109.6I150 C153 F157 K174 C175I150-H155 PolarHBondContact N-O 2.86Å; C153-H155 PolarHBondContact O-N 3.36Å; C153-H155 PolarHBondContact SG-ND1 3.1Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CZ 4.01Å; H155-F157 WeakPolarHBondContact O-CE2 3.45Å; H155-K174 HydrophobicContact CB-CB 4.42Å; H155-K174 WeakPolarHBondContact CD2-CD 3.12Å; H155-K174 VanDerWaalsContact CD2-CE 3.48Å; H155-K174 WeakPolarHBondContact CD2-CE 3.42Å; H155-K174 WeakPolarHBondContact NE2-CE 3.45Å; H155-C175 PolarHBondContact CE1-SG 3Å; H155-C175 PolarHBondContact ND1-SG 3.38Å
156T97.8Very high96.6Very high31 Ų3143.2 Ų43.219%0.1923%0.225CC..EExtended strand (participates in β ladder)trans-111.2142.3-173.4-44.10000112.3L144 A147 T148 T149 L194L144-T156 HydrophobicContact CD1-CG2 4.19Å; L144-T156 HydrophobicContact CD2-CG2 4.28Å; A147-T156 HydrophobicContact CB-CG2 3.91Å; T148-T156 WeakPolarHBondContact O-CA 3.36Å; T149-T156 VanDerWaalsContact OG1-CG2 3.25Å; T149-T156 WeakPolarHBondContact OG1-CG2 3.38Å; T149-T156 PolarHBondContact OG1-OG1 3.05Å; T156-L194 HydrophobicContact CG2-CD2 3.51Å
157F98.3Very high96.2Very high0 Ų048.4 Ų48.40%024%0.24CC..EExtended strand (participates in β ladder)trans-144.7167.8-177.1-53.5-92.2000109.5S138 I139 L144 T148 I150 H155 I162 P173 K174S138-F157 WeakPolarHBondContact OG-CE1 3.3Å; I139-F157 HydrophobicContact CD1-CB 4.33Å; I139-F157 HydrophobicContact CD1-CD1 3.62Å; I139-F157 HydrophobicContact CD1-CE1 4.21Å; I139-F157 HydrophobicContact CD1-CG 4.15Å; I139-F157 HydrophobicContact CG1-CD1 3.75Å; I139-F157 HydrophobicContact CG1-CE1 4.12Å; L144-F157 VanDerWaalsContact CD2-C 3.44Å; T148-F157 PolarHBondContact N-O 3Å; T148-F157 PolarHBondContact O-N 3.37Å; I150-F157 HydrophobicContact CD1-CD2 4.22Å; I150-F157 HydrophobicContact CD1-CE2 3.57Å; I150-F157 HydrophobicContact CD1-CZ 4.46Å; I150-F157 HydrophobicContact CG1-CD2 4.46Å; I150-F157 HydrophobicContact CG1-CE2 4.2Å; H155-F157 HydrophobicContact CB-CE2 3.72Å; H155-F157 HydrophobicContact CB-CZ 4.01Å; H155-F157 WeakPolarHBondContact O-CE2 3.45Å; F157-I162 HydrophobicContact CB-CB 3.88Å; F157-I162 HydrophobicContact CB-CG2 4.42Å; F157-I162 HydrophobicContact CD2-CB 4.33Å; F157-I162 HydrophobicContact CD2-CD1 3.87Å; F157-I162 HydrophobicContact CD2-CG1 4.13Å; F157-I162 HydrophobicContact CE2-CD1 4.15Å; F157-I162 HydrophobicContact CG-CB 4.28Å; F157-I162 HydrophobicContact CG-CD1 4.25Å; F157-P173 HydrophobicContact CD1-CG 4.28Å; F157-P173 HydrophobicContact CE1-CB 3.78Å; F157-P173 HydrophobicContact CE1-CG 3.6Å; F157-P173 HydrophobicContact CE2-CG 4.41Å; F157-P173 HydrophobicContact CZ-CB 4.06Å; F157-P173 HydrophobicContact CZ-CG 3.7Å; F157-K174 HydrophobicContact CZ-CB 4.05Å
158C98.2Very high95.9Very high4 Ų457.4 Ų57.43%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-65.7143.4168.1-500000110.2C137 I145 S160 C161 I162C137-C158 WeakPolarHBondContact CB-SG 3.2Å; C137-C158 PolarHBondContact SG-N 3.22Å; I145-C158 PolarHBondContact N-SG 3.45Å; I145-C158 VanDerWaalsContact N-SG 3.4Å; I145-C158 WeakPolarHBondContact O-CA 3.31Å; I145-C158 WeakPolarHBondContact O-CB 3.23Å; C158-S160 VanDerWaalsContact C-N 3.33Å; C158-S160 PolarHBondContact O-N 3.01Å; C158-C161 HydrophobicContact CB-CB 4.05Å; C158-C161 WeakPolarHBondContact O-CB 3.49Å; C158-C161 PolarHBondContact O-N 3.38Å; C158-I162 PolarHBondContact O-N 2.88Å
159K97.5Very high95.6Very high95 Ų9559.1 Ų59.141%0.41329%0.288SS..Hα-helixtrans-49.8-52.5177.2-177.7-172.8-178.1-175.80112.2I145 D146 T148 C161 I162 V163 L190I145-K159 PolarHBondContact O-N 3.06Å; D146-K159 HydrophobicContact CB-CB 3.49Å; D146-K159 VanDerWaalsContact CB-CB 3.49Å; D146-K159 HydrophobicContact CB-CD 4.05Å; D146-K159 HydrophobicContact CB-CG 4.45Å; D146-K159 WeakPolarHBondContact O-CB 3.21Å; D146-K159 PolarHBondContact O-N 2.9Å; T148-K159 WeakPolarHBondContact OG1-CA 3.19Å; T148-K159 VanDerWaalsContact OG1-CB 3.3Å; T148-K159 WeakPolarHBondContact OG1-CB 3.35Å; T148-K159 PolarHBondContact OG1-N 3.47Å; K159-C161 PolarHBondContact O-N 3.39Å; K159-I162 PolarHBondContact O-N 3.31Å; K159-V163 HydrophobicContact CG-CG2 4.4Å; K159-V163 VanDerWaalsContact O-CB 3.29Å; K159-V163 WeakPolarHBondContact O-CB 3.47Å; K159-V163 WeakPolarHBondContact O-CG2 3.35Å; K159-V163 PolarHBondContact O-N 3.22Å; K159-L190 HydrophobicContact CB-CD2 4.44Å; K159-L190 HydrophobicContact CD-CD2 4.08Å; K159-L190 HydrophobicContact CG-CD2 4.32Å
160S96.2Very high95.2Very high70 Ų7061.1 Ų61.149%0.4930%0.298SS..Hα-helixtrans-60.1-34179.661.60000112.7C158 R164C158-S160 VanDerWaalsContact C-N 3.33Å; C158-S160 PolarHBondContact O-N 3.01Å; S160-R164 WeakPolarHBondContact O-CB 3.47Å; S160-R164 PolarHBondContact O-N 3.4Å
161C97.8Very high95.1Very high9 Ų966.6 Ų66.66%0.06132%0.318CS..Hα-helixtrans-75-49.9-178.3-68.70000112I139 C158 K159 R164 H165I139-C161 HydrophobicContact CB-CB 3.96Å; I139-C161 HydrophobicContact CD1-CB 3.77Å; I139-C161 HydrophobicContact CG1-CB 4.48Å; I139-C161 HydrophobicContact CG2-CB 3.97Å; C158-C161 HydrophobicContact CB-CB 4.05Å; C158-C161 WeakPolarHBondContact O-CB 3.49Å; C158-C161 PolarHBondContact O-N 3.38Å; K159-C161 PolarHBondContact O-N 3.39Å; C161-R164 PolarHBondContact O-N 3.47Å; C161-H165 WeakPolarHBondContact O-CB 3.36Å; C161-H165 PolarHBondContact O-N 2.95Å
162I96.5Very high95.2Very high0 Ų063.9 Ų63.90%030%0.302CS..Hα-helixtrans-73.1-36.9-176.7-167.959000112.4I139 T148 I150 F157 C158 K159 R164 H165 F166 P173 I188I139-I162 HydrophobicContact CD1-CD1 4.46Å; T148-I162 HydrophobicContact CG2-CG2 3.68Å; I150-I162 HydrophobicContact CD1-CD1 4.09Å; I150-I162 HydrophobicContact CG1-CG1 4.49Å; F157-I162 HydrophobicContact CB-CB 3.88Å; F157-I162 HydrophobicContact CB-CG2 4.42Å; F157-I162 HydrophobicContact CD2-CB 4.33Å; F157-I162 HydrophobicContact CD2-CD1 3.87Å; F157-I162 HydrophobicContact CD2-CG1 4.13Å; F157-I162 HydrophobicContact CE2-CD1 4.15Å; F157-I162 HydrophobicContact CG-CB 4.28Å; F157-I162 HydrophobicContact CG-CD1 4.25Å; C158-I162 PolarHBondContact O-N 2.88Å; K159-I162 PolarHBondContact O-N 3.31Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 2.85Å; I162-H165 HydrophobicContact CD1-CB 4.45Å; I162-H165 PolarHBondContact O-N 3.45Å; I162-F166 HydrophobicContact CD1-CD1 4.24Å; I162-F166 HydrophobicContact CD1-CE1 3.78Å; I162-F166 HydrophobicContact CD1-CE2 4.16Å; I162-F166 HydrophobicContact CD1-CZ 3.72Å; I162-F166 HydrophobicContact CG1-CD2 4.14Å; I162-F166 HydrophobicContact CG1-CE1 4.31Å; I162-F166 HydrophobicContact CG1-CE2 3.76Å; I162-F166 HydrophobicContact CG1-CZ 3.83Å; I162-F166 WeakPolarHBondContact O-CB 3.44Å; I162-F166 WeakPolarHBondContact O-CG 3.5Å; I162-F166 PolarHBondContact O-N 3.1Å; I162-P173 HydrophobicContact CD1-CG 3.87Å; I162-I188 HydrophobicContact CG1-CG2 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.39Å
163V95.7Very high95.3Very high63 Ų6360.4 Ų60.438%0.38229%0.289SS..Hα-helixtrans-61.3-43.1174.6172.30000110.4K159 F166 Y167 L185 I188K159-V163 HydrophobicContact CG-CG2 4.4Å; K159-V163 VanDerWaalsContact O-CB 3.29Å; K159-V163 WeakPolarHBondContact O-CB 3.47Å; K159-V163 WeakPolarHBondContact O-CG2 3.35Å; K159-V163 PolarHBondContact O-N 3.22Å; V163-F166 PolarHBondContact O-N 3.42Å; V163-Y167 PolarHBondContact O-N 2.73Å; V163-L185 HydrophobicContact CB-CD2 4.42Å; V163-L185 HydrophobicContact CG1-CD2 4.22Å; V163-L185 HydrophobicContact CG2-CD2 4.1Å; V163-I188 HydrophobicContact CG2-CD1 4.12Å
164R95.3Very high95.3Very high100 Ų10065.1 Ų65.138%0.37731%0.306SS..Hα-helixtrans-64.4-42.8175.4-175.8-175-63.7139.9-5112.4I33 S160 C161 I162 F166 Y167I33-R164 VanDerWaalsContact CD1-NH2 3.27Å; S160-R164 WeakPolarHBondContact O-CB 3.47Å; S160-R164 PolarHBondContact O-N 3.4Å; C161-R164 PolarHBondContact O-N 3.47Å; I162-R164 VanDerWaalsContact C-N 3.31Å; I162-R164 PolarHBondContact O-N 2.85Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.4Å; R164-Y167 VanDerWaalsContact O-CB 3.25Å; R164-Y167 WeakPolarHBondContact O-CB 3.43Å; R164-Y167 PolarHBondContact O-N 2.98Å
165H95.4Very high95.3Very high54 Ų5461.2 Ų61.225%0.2529%0.289CS..Hα-helixtrans-60.6-40.9177.7178.382.4000111.9I139 C161 I162 Y167 Y168 S169 R171I139-H165 HydrophobicContact CD1-CB 4.23Å; C161-H165 WeakPolarHBondContact O-CB 3.36Å; C161-H165 PolarHBondContact O-N 2.95Å; I162-H165 HydrophobicContact CD1-CB 4.45Å; I162-H165 PolarHBondContact O-N 3.45Å; H165-Y167 PolarHBondContact O-N 2.8Å; H165-Y168 PolarHBondContact O-N 3.17Å; H165-Y168 VanDerWaalsContact O-N 3.1Å; H165-S169 PolarHBondContact O-N 2.77Å; H165-S169 VanDerWaalsContact O-N 3.08Å; H165-R171 PolarHBondContact CD2-O 2.84Å; H165-R171 PolarHBondContact NE2-O 3.41Å
166F93.3Very high95.1Very high18 Ų1864.4 Ų64.48%0.07931%0.308CS..THydrogen-bonded Turntrans-68.9-9.4178.2-74.4-15.5000115.8I150 I162 V163 R164 Y168 S169 V179 P184 L185 I188I150-F166 HydrophobicContact CD1-CZ 4.05Å; I150-F166 HydrophobicContact CG1-CZ 4.22Å; I162-F166 HydrophobicContact CD1-CD1 4.24Å; I162-F166 HydrophobicContact CD1-CE1 3.78Å; I162-F166 HydrophobicContact CD1-CE2 4.16Å; I162-F166 HydrophobicContact CD1-CZ 3.72Å; I162-F166 HydrophobicContact CG1-CD2 4.14Å; I162-F166 HydrophobicContact CG1-CE1 4.31Å; I162-F166 HydrophobicContact CG1-CE2 3.76Å; I162-F166 HydrophobicContact CG1-CZ 3.83Å; I162-F166 WeakPolarHBondContact O-CB 3.44Å; I162-F166 WeakPolarHBondContact O-CG 3.5Å; I162-F166 PolarHBondContact O-N 3.1Å; V163-F166 PolarHBondContact O-N 3.42Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.4Å; F166-Y168 VanDerWaalsContact C-N 3.26Å; F166-Y168 PolarHBondContact O-N 3.31Å; F166-S169 WeakPolarHBondContact CA-O 3.42Å; F166-S169 VanDerWaalsContact CD1-O 3.26Å; F166-S169 WeakPolarHBondContact CD1-O 3.49Å; F166-V179 HydrophobicContact CE1-CB 4.34Å; F166-V179 HydrophobicContact CE1-CG2 3.98Å; F166-V179 HydrophobicContact CE2-CG1 4.34Å; F166-V179 HydrophobicContact CZ-CB 4.04Å; F166-V179 HydrophobicContact CZ-CG1 3.83Å; F166-V179 HydrophobicContact CZ-CG2 3.82Å; F166-P184 HydrophobicContact CB-CB 4.23Å; F166-P184 HydrophobicContact CB-CG 3.82Å; F166-P184 HydrophobicContact CD1-CB 3.87Å; F166-P184 HydrophobicContact CD1-CG 4.25Å; F166-P184 HydrophobicContact CD2-CB 3.69Å; F166-P184 HydrophobicContact CD2-CG 4.17Å; F166-P184 HydrophobicContact CE1-CB 4.07Å; F166-P184 HydrophobicContact CE2-CB 3.88Å; F166-P184 WeakPolarHBondContact CE2-O 3.16Å; F166-P184 HydrophobicContact CG-CB 3.68Å; F166-P184 HydrophobicContact CG-CG 3.85Å; F166-P184 HydrophobicContact CZ-CB 4.09Å; F166-L185 HydrophobicContact CB-CD2 4.39Å; F166-L185 HydrophobicContact CD2-CD2 4.13Å; F166-I188 HydrophobicContact CD2-CD1 4.37Å; F166-I188 HydrophobicContact CE2-CD1 4.35Å; F166-I188 HydrophobicContact CE2-CG2 3.54Å; F166-I188 HydrophobicContact CZ-CG2 4.2Å
167Y89.4Confident94.9Very high184 Ų18466 Ų6672%0.72232%0.315SS*.THydrogen-bonded Turntrans-67.9-28.2169.2-166.5-90.8000112.3V163 R164 H165V163-Y167 PolarHBondContact O-N 2.73Å; R164-Y167 VanDerWaalsContact O-CB 3.25Å; R164-Y167 WeakPolarHBondContact O-CB 3.43Å; R164-Y167 PolarHBondContact O-N 2.98Å; H165-Y167 PolarHBondContact O-N 2.8Å
168Y90.4Very high94.6Very high191 Ų19169 Ų6975%0.74933%0.333SS*.THydrogen-bonded Turntrans-118.8-18.3-174.6-51.7-83.5000114.2H165 F166H165-Y168 PolarHBondContact O-N 3.17Å; H165-Y168 VanDerWaalsContact O-N 3.1Å; F166-Y168 VanDerWaalsContact C-N 3.26Å; F166-Y168 PolarHBondContact O-N 3.31Å
169S92Very high94.2Very high40 Ų4069 Ų6928%0.2833%0.333SS..  trans-144.3134.5-177.41780000111.3H165 F166 R171H165-S169 PolarHBondContact O-N 2.77Å; H165-S169 VanDerWaalsContact O-N 3.08Å; F166-S169 WeakPolarHBondContact CA-O 3.42Å; F166-S169 VanDerWaalsContact CD1-O 3.26Å; F166-S169 WeakPolarHBondContact CD1-O 3.49Å; S169-R171 PolarHBondContact O-N 2.88Å; S169-R171 PolarHBondContact OG-N 3.01Å
170N89.9Confident93.7Very high57 Ų5767 Ų6731%0.30533%0.325SS..SBendtrans-89.615.2173.365.4-5.2000113.1V179 H180 Q181 P184N170-V179 PolarHBondContact O-N 3.32Å; N170-H180 WeakPolarHBondContact CB-O 3.43Å; N170-H180 PolarHBondContact ND2-O 3.34Å; N170-Q181 PolarHBondContact ND2-O 3Å; N170-P184 HydrophobicContact CB-CB 4.45Å; N170-P184 HydrophobicContact CB-CG 4.34Å
171R94.2Very high93.1Very high114 Ų11471.9 Ų71.943%0.4334%0.34SS..BIsolated β-bridgetrans-108.9145.1-176-64.3179.7175.2-89.5-1.1112.2H165 S169 P173 N176 I177 V178H165-R171 PolarHBondContact CD2-O 2.84Å; H165-R171 PolarHBondContact NE2-O 3.41Å; S169-R171 PolarHBondContact O-N 2.88Å; S169-R171 PolarHBondContact OG-N 3.01Å; R171-P173 WeakPolarHBondContact O-CD 3.5Å; R171-N176 PolarHBondContact NH1-O 3.45Å; R171-I177 CarbonylContact C-O 3.6Å; R171-I177 WeakPolarHBondContact CA-O 3.11Å; R171-V178 HydrophobicContact CG-CG2 4.29Å
172C96.8Very high92.2Very high0 Ų076.6 Ų76.60%037%0.369CS..  trans-61.5127.2174.8175.50000110.6I150 C153 K174 C175 N176 I177 V179I150-C172 HydrophobicContact CD1-CB 3.94Å; C153-C172 VanDerWaalsContact SG-SG 3.61Å; C172-K174 PolarHBondContact O-N 3.02Å; C172-K174 VanDerWaalsContact O-N 3.14Å; C172-K174 PolarHBondContact SG-N 3.5Å; C172-K174 VanDerWaalsContact SG-N 3.4Å; C172-C175 PolarHBondContact SG-SG 3.48Å; C172-N176 VanDerWaalsContact O-CA 3.23Å; C172-N176 WeakPolarHBondContact O-CA 3.48Å; C172-N176 PolarHBondContact O-N 3.14Å; C172-N176 PolarHBondContact O-OD1 2.98Å; C172-I177 HydrophobicContact CB-CG1 4.12Å; C172-I177 PolarHBondContact N-O 3.4Å; C172-V179 HydrophobicContact CB-CG2 4.13Å
173P96.2Very high91.5Very high39 Ų3981.2 Ų81.225%0.25339%0.39SS..THydrogen-bonded Turntrans-61.4-22.1178.5-13.817.9000115I139 F157 I162 R171I139-P173 HydrophobicContact CD1-CB 4.48Å; I139-P173 HydrophobicContact CD1-CG 3.84Å; I139-P173 HydrophobicContact CG1-CB 4.18Å; I139-P173 HydrophobicContact CG1-CG 4.08Å; F157-P173 HydrophobicContact CD1-CG 4.28Å; F157-P173 HydrophobicContact CE1-CB 3.78Å; F157-P173 HydrophobicContact CE1-CG 3.6Å; F157-P173 HydrophobicContact CE2-CG 4.41Å; F157-P173 HydrophobicContact CZ-CB 4.06Å; F157-P173 HydrophobicContact CZ-CG 3.7Å; I162-P173 HydrophobicContact CD1-CG 3.87Å; R171-P173 WeakPolarHBondContact O-CD 3.5Å
174K95.6Very high90.9Very high127 Ų12778.8 Ų78.855%0.55238%0.376SS*.THydrogen-bonded Turntrans-95-42.2-175.3-175.6159.8163.6-173.80113.3H155 F157 C172H155-K174 HydrophobicContact CB-CB 4.42Å; H155-K174 WeakPolarHBondContact CD2-CD 3.12Å; H155-K174 VanDerWaalsContact CD2-CE 3.48Å; H155-K174 WeakPolarHBondContact CD2-CE 3.42Å; H155-K174 WeakPolarHBondContact NE2-CE 3.45Å; F157-K174 HydrophobicContact CZ-CB 4.05Å; C172-K174 PolarHBondContact O-N 3.02Å; C172-K174 VanDerWaalsContact O-N 3.14Å; C172-K174 PolarHBondContact SG-N 3.5Å; C172-K174 VanDerWaalsContact SG-N 3.4Å
175C96.5Very high90.7Very high49 Ų4978.5 Ų78.533%0.33138%0.381SS..THydrogen-bonded Turntrans-1200.6-175.762.10000114.8H155 C172 I177H155-C175 PolarHBondContact CE1-SG 3Å; H155-C175 PolarHBondContact ND1-SG 3.38Å; C172-C175 PolarHBondContact SG-SG 3.48Å; C175-I177 PolarHBondContact O-N 3.45Å
176N94.9Very high90.4Very high107 Ų10782.5 Ų82.557%0.57240%0.395SS*.  trans59.111.3176.6-73.3-36.2000117R171 C172R171-N176 PolarHBondContact NH1-O 3.45Å; C172-N176 VanDerWaalsContact O-CA 3.23Å; C172-N176 WeakPolarHBondContact O-CA 3.48Å; C172-N176 PolarHBondContact O-N 3.14Å; C172-N176 PolarHBondContact O-OD1 2.98Å
177I92.8Very high90.3Very high65 Ų6583.2 Ų83.233%0.33340%0.399SS..  trans-65.4151.6170.274.5158.5000110.6E152 C153 R171 C172 C175 V179E152-I177 HydrophobicContact CB-CD1 3.84Å; C153-I177 HydrophobicContact CB-CD1 3.55Å; C153-I177 HydrophobicContact CB-CG1 4.15Å; R171-I177 CarbonylContact C-O 3.6Å; R171-I177 WeakPolarHBondContact CA-O 3.11Å; C172-I177 HydrophobicContact CB-CG1 4.12Å; C172-I177 PolarHBondContact N-O 3.4Å; C175-I177 PolarHBondContact O-N 3.45Å; I177-V179 PolarHBondContact O-N 2.88Å
178V91.2Very high90.5Very high64 Ų6475.4 Ų75.439%0.38837%0.37SS..BIsolated β-bridgetrans-75.5118.5172179.30000108.2R171R171-V178 HydrophobicContact CG-CG2 4.29Å
179V90Very high90.8Very high3 Ų373.1 Ų73.12%0.01836%0.36CS..SBendtrans-76.7-41.2-176.3174.10000111.3I150 E152 F166 N170 C172 I177 P184 N187I150-V179 HydrophobicContact CD1-CG2 4.05Å; I150-V179 HydrophobicContact CG2-CB 4.3Å; I150-V179 HydrophobicContact CG2-CG1 3.62Å; I150-V179 HydrophobicContact CG2-CG2 3.82Å; E152-V179 WeakPolarHBondContact CG-O 3.43Å; F166-V179 HydrophobicContact CE1-CB 4.34Å; F166-V179 HydrophobicContact CE1-CG2 3.98Å; F166-V179 HydrophobicContact CE2-CG1 4.34Å; F166-V179 HydrophobicContact CZ-CB 4.04Å; F166-V179 HydrophobicContact CZ-CG1 3.83Å; F166-V179 HydrophobicContact CZ-CG2 3.82Å; N170-V179 PolarHBondContact O-N 3.32Å; C172-V179 HydrophobicContact CB-CG2 4.13Å; I177-V179 PolarHBondContact O-N 2.88Å; V179-P184 HydrophobicContact CB-CB 4.45Å; V179-P184 HydrophobicContact CG1-CB 4.41Å; V179-N187 HydrophobicContact CG1-CB 3.71Å; V179-N187 PolarHBondContact O-ND2 3.33Å
180H88.6Confident91.1Very high54 Ų5475.7 Ų75.725%0.2537%0.37CS..  trans-157.8150.5173.6-170.5-73.9000108.4N170 T182 Q183N170-H180 WeakPolarHBondContact CB-O 3.43Å; N170-H180 PolarHBondContact ND2-O 3.34Å; H180-T182 PolarHBondContact CE1-OG1 3Å; H180-T182 VanDerWaalsContact CE1-OG1 3.28Å; H180-T182 PolarHBondContact ND1-N 3.42Å; H180-Q183 PolarHBondContact ND1-N 2.93Å
181Q82.2Confident91.5Very high171 Ų17175 Ų7580%0.79937%0.367SS*.SBendtrans-64.3-50.5-178.2-64-179.72.300112.4N170N170-Q181 PolarHBondContact ND2-O 3Å
182T80.1Confident91.6Very high109 Ų10978.9 Ų78.967%0.66938%0.381SS*.SBendtrans-113.8-41.5-175.853.70000115H180 P184H180-T182 PolarHBondContact CE1-OG1 3Å; H180-T182 VanDerWaalsContact CE1-OG1 3.28Å; H180-T182 PolarHBondContact ND1-N 3.42Å; T182-P184 WeakPolarHBondContact O-CD 3.5Å
183Q80.7Confident91.6Very high96 Ų9686.1 Ų86.145%0.44942%0.415SS..  trans-124.978.8-171.8-56.7179.989.100112.1H180 L185 Y186H180-Q183 PolarHBondContact ND1-N 2.93Å; Q183-L185 PolarHBondContact O-N 2.74Å; Q183-L185 VanDerWaalsContact O-N 3.1Å; Q183-Y186 HydrophobicContact CB-CD2 3.4Å; Q183-Y186 VanDerWaalsContact CB-CD2 3.4Å; Q183-Y186 HydrophobicContact CB-CE2 3.8Å; Q183-Y186 HydrophobicContact CB-CG 4.41Å; Q183-Y186 HydrophobicContact CG-CD2 4.27Å; Q183-Y186 HydrophobicContact CG-CE2 4.18Å; Q183-Y186 PolarHBondContact O-N 2.67Å
184P84.3Confident91.6Very high13 Ų1386 Ų868%0.08441%0.412CS..G310 helixtrans-59.3-23.1-178.326-36.7000114.2F166 N170 V179 T182 Y186 N187F166-P184 HydrophobicContact CB-CB 4.23Å; F166-P184 HydrophobicContact CB-CG 3.82Å; F166-P184 HydrophobicContact CD1-CB 3.87Å; F166-P184 HydrophobicContact CD1-CG 4.25Å; F166-P184 HydrophobicContact CD2-CB 3.69Å; F166-P184 HydrophobicContact CD2-CG 4.17Å; F166-P184 HydrophobicContact CE1-CB 4.07Å; F166-P184 HydrophobicContact CE2-CB 3.88Å; F166-P184 WeakPolarHBondContact CE2-O 3.16Å; F166-P184 HydrophobicContact CG-CB 3.68Å; F166-P184 HydrophobicContact CG-CG 3.85Å; F166-P184 HydrophobicContact CZ-CB 4.09Å; N170-P184 HydrophobicContact CB-CB 4.45Å; N170-P184 HydrophobicContact CB-CG 4.34Å; V179-P184 HydrophobicContact CB-CB 4.45Å; V179-P184 HydrophobicContact CG1-CB 4.41Å; T182-P184 WeakPolarHBondContact O-CD 3.5Å; P184-Y186 PolarHBondContact O-N 3.1Å; P184-N187 PolarHBondContact O-N 2.69Å
185L90.2Very high91.7Very high94 Ų9480.5 Ų80.549%0.49239%0.389SS..G310 helixtrans-64.6-22.4175.3-62.5175.4000113.8V163 F166 Q183 N187 I188V163-L185 HydrophobicContact CB-CD2 4.42Å; V163-L185 HydrophobicContact CG1-CD2 4.22Å; V163-L185 HydrophobicContact CG2-CD2 4.1Å; F166-L185 HydrophobicContact CB-CD2 4.39Å; F166-L185 HydrophobicContact CD2-CD2 4.13Å; Q183-L185 PolarHBondContact O-N 2.74Å; Q183-L185 VanDerWaalsContact O-N 3.1Å; L185-N187 PolarHBondContact O-N 2.88Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 WeakPolarHBondContact O-CG1 3.23Å
186Y89.6Confident91.7Very high138 Ų13882.4 Ų82.454%0.54140%0.395SS..G310 helixtrans-71.9-20.7177.8-82.2-102.3000113.2Q183 P184 R189Q183-Y186 HydrophobicContact CB-CD2 3.4Å; Q183-Y186 VanDerWaalsContact CB-CD2 3.4Å; Q183-Y186 HydrophobicContact CB-CE2 3.8Å; Q183-Y186 HydrophobicContact CB-CG 4.41Å; Q183-Y186 HydrophobicContact CG-CD2 4.27Å; Q183-Y186 HydrophobicContact CG-CE2 4.18Å; Q183-Y186 PolarHBondContact O-N 2.67Å; P184-Y186 PolarHBondContact O-N 3.1Å; Y186-R189 VanDerWaalsContact O-CZ 3.3Å; Y186-R189 PolarHBondContact O-NH1 2.99Å; Y186-R189 PolarHBondContact O-NH2 3.39Å
187N90.5Very high91.6Very high32 Ų3281.5 Ų81.517%0.17139%0.39CS..G310 helixtrans-109.227-174.9-74.45.5000112.2I150 T151 E152 V179 P184 L185I150-N187 CarbonylContact C-O 3.52Å; I150-N187 WeakPolarHBondContact CA-O 3.27Å; T151-N187 PolarHBondContact N-O 3.21Å; T151-N187 WeakPolarHBondContact OG1-CA 3.21Å; T151-N187 WeakPolarHBondContact OG1-CB 3.49Å; T151-N187 PolarHBondContact OG1-O 3.14Å; E152-N187 HydrophobicContact CG-CB 4.47Å; E152-N187 PolarHBondContact OE1-ND2 3.41Å; V179-N187 HydrophobicContact CG1-CB 3.71Å; V179-N187 PolarHBondContact O-ND2 3.33Å; P184-N187 PolarHBondContact O-N 2.69Å; L185-N187 PolarHBondContact O-N 2.88Å
188I94.7Very high91.7Very high21 Ų2178.4 Ų78.411%0.10837%0.374CS..EExtended strand (participates in β ladder)trans-123143.4168.250.1169.2000111.6T148 T149 I150 I162 V163 F166 L185T148-I188 HydrophobicContact CG2-CB 3.77Å; T148-I188 HydrophobicContact CG2-CD1 4.07Å; T148-I188 HydrophobicContact CG2-CG1 4.39Å; T148-I188 HydrophobicContact CG2-CG2 4.27Å; T149-I188 WeakPolarHBondContact O-CA 3.4Å; I150-I188 HydrophobicContact CB-CG2 4.39Å; I150-I188 HydrophobicContact CG1-CG2 3.79Å; I162-I188 HydrophobicContact CG1-CG2 4.38Å; I162-I188 HydrophobicContact CG2-CD1 4.39Å; V163-I188 HydrophobicContact CG2-CD1 4.12Å; F166-I188 HydrophobicContact CD2-CD1 4.37Å; F166-I188 HydrophobicContact CE2-CD1 4.35Å; F166-I188 HydrophobicContact CE2-CG2 3.54Å; F166-I188 HydrophobicContact CZ-CG2 4.2Å; L185-I188 HydrophobicContact CD2-CD1 3.79Å; L185-I188 WeakPolarHBondContact O-CG1 3.23Å
189R96.5Very high91.9Very high142 Ų14277.4 Ų77.454%0.53636%0.363SS..EExtended strand (participates in β ladder)trans-134146.5177.8-62.8-66.7177.1-89.7-6.8109.9T148 T149 T151 Y186 D191T148-R189 CarbonylContact C-O 3.51Å; T148-R189 WeakPolarHBondContact CA-O 3.18Å; T149-R189 PolarHBondContact N-O 3.05Å; T149-R189 PolarHBondContact O-N 3.41Å; T151-R189 HydrophobicContact CG2-CG 3.92Å; Y186-R189 VanDerWaalsContact O-CZ 3.3Å; Y186-R189 PolarHBondContact O-NH1 2.99Å; Y186-R189 PolarHBondContact O-NH2 3.39Å; R189-D191 PolarHBondContact O-N 3.29Å
190L97.6Very high92Very high94 Ų9486.1 Ų86.149%0.49240%0.401SS..EExtended strand (participates in β ladder)trans-67.3128.6169.2-65.7177.1000108.9T148 K159T148-L190 WeakPolarHBondContact OG1-CD2 3.44Å; K159-L190 HydrophobicContact CB-CD2 4.44Å; K159-L190 HydrophobicContact CD-CD2 4.08Å; K159-L190 HydrophobicContact CG-CD2 4.32Å
191D97.6Very high92.2Very high44 Ų4485.9 Ų85.924%0.23540%0.401CS..  trans-100.681.2179.7-163.9-29.9000108.9A147 T149 R189 Q193 L194 Q195A147-D191 HydrophobicContact CB-CB 4.27Å; A147-D191 PolarHBondContact O-N 3.39Å; T149-D191 WeakPolarHBondContact OG1-CB 3.5Å; T149-D191 PolarHBondContact OG1-OD2 2.96Å; R189-D191 PolarHBondContact O-N 3.29Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.05Å; D191-L194 HydrophobicContact CB-CB 4.12Å; D191-L194 VanDerWaalsContact CG-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.66Å; D191-L194 WeakPolarHBondContact OD1-CB 3.47Å; D191-L194 PolarHBondContact OD1-N 2.84Å; D191-Q195 WeakPolarHBondContact O-CB 3.3Å; D191-Q195 PolarHBondContact O-N 2.99Å
192R97Very high92.6Very high194 Ų19478.1 Ų78.173%0.73237%0.365SS*.Hα-helixtrans-59.7-40.7-177.2-67.5-174.8176.9-176.9-3.5111.5Q195 D196R192-Q195 PolarHBondContact O-N 3.38Å; R192-D196 WeakPolarHBondContact O-CB 3.24Å; R192-D196 PolarHBondContact O-N 3.46Å
193Q96.7Very high93.1Very high152 Ų15279.1 Ų79.171%0.7137%0.366SS*.Hα-helixtrans-64.9-45.8-179.1-66.6-175.7-47.600111.7D191 Q195 D196 I197D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.05Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q193-D196 PolarHBondContact O-N 2.77Å; Q193-I197 VanDerWaalsContact O-CG1 3.27Å; Q193-I197 WeakPolarHBondContact O-CG1 3.25Å; Q193-I197 PolarHBondContact O-N 2.84Å
194L96.5Very high93.6Very high36 Ų3679.3 Ų79.319%0.18837%0.37CS..Hα-helixtrans-65.1-39.4176-175.262.9000111.4L144 A147 T156 D191 I197 V198L144-L194 HydrophobicContact CD1-CD2 3.69Å; L144-L194 HydrophobicContact CD1-CG 4.26Å; A147-L194 HydrophobicContact CB-CB 4.39Å; A147-L194 HydrophobicContact CB-CD2 4.33Å; A147-L194 HydrophobicContact CB-CG 4.43Å; T156-L194 HydrophobicContact CG2-CD2 3.51Å; D191-L194 HydrophobicContact CB-CB 4.12Å; D191-L194 VanDerWaalsContact CG-CB 3.46Å; D191-L194 PolarHBondContact O-N 2.66Å; D191-L194 WeakPolarHBondContact OD1-CB 3.47Å; D191-L194 PolarHBondContact OD1-N 2.84Å; L194-I197 WeakPolarHBondContact O-CB 3.36Å; L194-I197 PolarHBondContact O-N 3.29Å; L194-V198 HydrophobicContact CD1-CG2 4.47Å; L194-V198 HydrophobicContact CG-CG2 4.4Å; L194-V198 VanDerWaalsContact O-CG2 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.73Å
195Q97.3Very high94.1Very high13 Ų1379.3 Ų79.36%0.06137%0.369CS..Hα-helixtrans-61.8-44.1176.7-169.65953.200111.8L144 A147 D191 R192 Q193 I197 V198 Y199L144-Q195 PolarHBondContact O-NE2 2.77Å; L144-Q195 PolarHBondContact O-OE1 3.23Å; A147-Q195 HydrophobicContact CB-CB 4.07Å; D191-Q195 WeakPolarHBondContact O-CB 3.3Å; D191-Q195 PolarHBondContact O-N 2.99Å; R192-Q195 PolarHBondContact O-N 3.38Å; Q193-Q195 VanDerWaalsContact C-N 3.32Å; Q195-I197 VanDerWaalsContact C-N 3.3Å; Q195-I197 PolarHBondContact O-N 3.15Å; Q195-V198 PolarHBondContact O-N 3.37Å; Q195-V198 VanDerWaalsContact O-N 3.17Å; Q195-Y199 HydrophobicContact CG-CD2 3.91Å; Q195-Y199 HydrophobicContact CG-CE2 3.57Å; Q195-Y199 PolarHBondContact O-N 3Å
196D96Very high94.3Very high89 Ų8977.8 Ų77.848%0.47636%0.359SS..Hα-helixtrans-60.3-41.4176.2-64.7-18.2000111.1R192 Q193 K200R192-D196 WeakPolarHBondContact O-CB 3.24Å; R192-D196 PolarHBondContact O-N 3.46Å; Q193-D196 PolarHBondContact O-N 2.77Å; D196-K200 WeakPolarHBondContact O-CB 3.49Å; D196-K200 VanDerWaalsContact O-CG 3.25Å; D196-K200 WeakPolarHBondContact O-CG 3.48Å; D196-K200 PolarHBondContact O-N 3.41Å
197I94.2Very high94.5Very high88 Ų8876.6 Ų76.645%0.45136%0.358SS..Hα-helixtrans-62.2-45.8175.1-70.7165.3000110.6Q193 L194 Q195 K200 L201Q193-I197 VanDerWaalsContact O-CG1 3.27Å; Q193-I197 WeakPolarHBondContact O-CG1 3.25Å; Q193-I197 PolarHBondContact O-N 2.84Å; L194-I197 WeakPolarHBondContact O-CB 3.36Å; L194-I197 PolarHBondContact O-N 3.29Å; Q195-I197 VanDerWaalsContact C-N 3.3Å; Q195-I197 PolarHBondContact O-N 3.15Å; I197-K200 PolarHBondContact O-N 3.05Å; I197-L201 HydrophobicContact CG2-CD1 3.43Å; I197-L201 VanDerWaalsContact CG2-CD1 3.43Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.28Å
198V95Very high94.8Very high0 Ų082 Ų820%038%0.377CS..Hα-helixtrans-62.9-44.5-179.8171.40000111.2I135 L144 L194 Q195 L201 V202 L205I135-V198 HydrophobicContact CB-CG2 4.04Å; I135-V198 HydrophobicContact CG2-CG2 3.98Å; L144-V198 HydrophobicContact CB-CG2 4.3Å; L144-V198 HydrophobicContact CD1-CG2 4.35Å; L194-V198 HydrophobicContact CD1-CG2 4.47Å; L194-V198 HydrophobicContact CG-CG2 4.4Å; L194-V198 VanDerWaalsContact O-CG2 3.23Å; L194-V198 WeakPolarHBondContact O-CG2 3.42Å; L194-V198 PolarHBondContact O-N 2.73Å; Q195-V198 PolarHBondContact O-N 3.37Å; Q195-V198 VanDerWaalsContact O-N 3.17Å; V198-L201 PolarHBondContact O-N 2.86Å; V198-V202 PolarHBondContact O-N 3.34Å; V198-V202 VanDerWaalsContact O-N 3.08Å; V198-L205 HydrophobicContact CG1-CD2 3.62Å
199Y95.2Very high94.8Very high43 Ų4384 Ų8417%0.16939%0.385CS..Hα-helixtrans-66.4-36.1177.2-72.8-32.3000113.1I145 Q195 L205 E206I145-Y199 HydrophobicContact CD1-CE1 4.14Å; Q195-Y199 HydrophobicContact CG-CD2 3.91Å; Q195-Y199 HydrophobicContact CG-CE2 3.57Å; Q195-Y199 PolarHBondContact O-N 3Å; Y199-L205 HydrophobicContact CD1-CB 4.33Å; Y199-L205 HydrophobicContact CD1-CD2 4.05Å; Y199-L205 HydrophobicContact CD1-CG 4.06Å; Y199-L205 HydrophobicContact CE1-CD2 4.36Å; Y199-L205 HydrophobicContact CE1-CG 4.2Å; Y199-E206 HydrophobicContact CD1-CB 3.66Å; Y199-E206 HydrophobicContact CD1-CG 4.21Å; Y199-E206 HydrophobicContact CD2-CB 4.15Å; Y199-E206 HydrophobicContact CD2-CG 3.91Å; Y199-E206 HydrophobicContact CE1-CB 4.02Å; Y199-E206 HydrophobicContact CE1-CG 4.28Å; Y199-E206 HydrophobicContact CE2-CB 4.48Å; Y199-E206 HydrophobicContact CE2-CG 3.98Å; Y199-E206 HydrophobicContact CG-CB 3.74Å; Y199-E206 HydrophobicContact CG-CG 4.04Å
200K92.5Very high94.6Very high185 Ų18582.5 Ų82.580%0.80438%0.383SS*.Hα-helixtrans-73.6-30.8176.1-72179.3-179.2-167.60113.9D196 I197D196-K200 WeakPolarHBondContact O-CB 3.49Å; D196-K200 VanDerWaalsContact O-CG 3.25Å; D196-K200 WeakPolarHBondContact O-CG 3.48Å; D196-K200 PolarHBondContact O-N 3.41Å; I197-K200 PolarHBondContact O-N 3.05Å
201L91.5Very high94.5Very high50 Ų5084.6 Ų84.626%0.26239%0.388SS..Hα-helixtrans-82.6-34-178.3-72.9172000113.1I126 L131 I135 I197 V198I126-L201 HydrophobicContact CD1-CD2 4.04Å; L131-L201 HydrophobicContact CD1-CD1 4.08Å; L131-L201 HydrophobicContact CD1-CD2 4.09Å; I135-L201 HydrophobicContact CG2-CD1 4.37Å; I197-L201 HydrophobicContact CG2-CD1 3.43Å; I197-L201 VanDerWaalsContact CG2-CD1 3.43Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 WeakPolarHBondContact O-CG 3.29Å; I197-L201 PolarHBondContact O-N 3.28Å; V198-L201 PolarHBondContact O-N 2.86Å
202V90.7Very high94.3Very high7 Ų788.7 Ų88.74%0.04241%0.405CS..SBendtrans-101.4106.5-175.3-173.20000109.6I135 Y143 V198 N204 L205I135-V202 HydrophobicContact CD1-CG2 4.02Å; Y143-V202 HydrophobicContact CD1-CG2 3.81Å; Y143-V202 HydrophobicContact CD2-CG1 4.2Å; Y143-V202 HydrophobicContact CE1-CG1 4.35Å; Y143-V202 HydrophobicContact CE1-CG2 3.72Å; Y143-V202 HydrophobicContact CE2-CG1 3.89Å; Y143-V202 HydrophobicContact CG-CG2 4.34Å; V198-V202 PolarHBondContact O-N 3.34Å; V198-V202 VanDerWaalsContact O-N 3.08Å; V202-N204 PolarHBondContact O-N 2.93Å; V202-L205 HydrophobicContact CB-CB 3.8Å; V202-L205 HydrophobicContact CB-CD2 3.8Å; V202-L205 HydrophobicContact CB-CG 4.38Å; V202-L205 HydrophobicContact CG1-CB 3.78Å; V202-L205 HydrophobicContact CG1-CD1 4.46Å; V202-L205 HydrophobicContact CG1-CD2 4.1Å; V202-L205 HydrophobicContact CG1-CG 4.33Å; V202-L205 HydrophobicContact CG2-CD2 4.16Å; V202-L205 VanDerWaalsContact O-CB 3.27Å; V202-L205 WeakPolarHBondContact O-CB 3.27Å; V202-L205 PolarHBondContact O-N 2.86Å; V202-L205 VanDerWaalsContact O-N 3.14Å
203I90.5Very high94Very high131 Ų13183 Ų8367%0.67239%0.388SS*.THydrogen-bonded Turntrans-52.2129.6-179.1-56.6172.4000110.9L205 R208I203-L205 PolarHBondContact O-N 3.32Å; I203-R208 PolarHBondContact O-NH2 3.41Å
204N91.6Very high93.8Very high100 Ų10079.7 Ų79.754%0.53537%0.372SS..THydrogen-bonded Turntrans55.930.1177.4-54.5-28.8000113.6V202 E207 R208V202-N204 PolarHBondContact O-N 2.93Å; N204-E207 WeakPolarHBondContact CA-OE2 3.36Å; N204-R208 WeakPolarHBondContact O-CB 3.28Å; N204-R208 PolarHBondContact O-NE 2.99Å; N204-R208 PolarHBondContact O-NH2 3.39Å
205L93.7Very high93.6Very high12 Ų1280.9 Ų80.96%0.06338%0.379CS..Hα-helixtrans-79.9-47177.3-178.363.8000111.1Y143 I145 V198 Y199 V202 I203 R208 E209Y143-L205 HydrophobicContact CD2-CD1 4.04Å; Y143-L205 HydrophobicContact CD2-CD2 4.44Å; Y143-L205 HydrophobicContact CG-CD1 4.45Å; Y143-L205 HydrophobicContact CG-CD2 4.12Å; I145-L205 HydrophobicContact CD1-CD1 4.29Å; I145-L205 HydrophobicContact CD1-CD2 4.48Å; I145-L205 HydrophobicContact CD1-CG 4.35Å; V198-L205 HydrophobicContact CG1-CD2 3.62Å; Y199-L205 HydrophobicContact CD1-CB 4.33Å; Y199-L205 HydrophobicContact CD1-CD2 4.05Å; Y199-L205 HydrophobicContact CD1-CG 4.06Å; Y199-L205 HydrophobicContact CE1-CD2 4.36Å; Y199-L205 HydrophobicContact CE1-CG 4.2Å; V202-L205 HydrophobicContact CB-CB 3.8Å; V202-L205 HydrophobicContact CB-CD2 3.8Å; V202-L205 HydrophobicContact CB-CG 4.38Å; V202-L205 HydrophobicContact CG1-CB 3.78Å; V202-L205 HydrophobicContact CG1-CD1 4.46Å; V202-L205 HydrophobicContact CG1-CD2 4.1Å; V202-L205 HydrophobicContact CG1-CG 4.33Å; V202-L205 HydrophobicContact CG2-CD2 4.16Å; V202-L205 VanDerWaalsContact O-CB 3.27Å; V202-L205 WeakPolarHBondContact O-CB 3.27Å; V202-L205 PolarHBondContact O-N 2.86Å; V202-L205 VanDerWaalsContact O-N 3.14Å; I203-L205 PolarHBondContact O-N 3.32Å; L205-R208 PolarHBondContact O-N 2.88Å; L205-E209 PolarHBondContact O-N 2.8Å
206E95.5Very high93.5Very high63 Ų6383.8 Ų83.829%0.29439%0.392SS..Hα-helixtrans-64.5-46.9-177.8-170.9176.6171.700111.3Y199 R208 E209 K210Y199-E206 HydrophobicContact CD1-CB 3.66Å; Y199-E206 HydrophobicContact CD1-CG 4.21Å; Y199-E206 HydrophobicContact CD2-CB 4.15Å; Y199-E206 HydrophobicContact CD2-CG 3.91Å; Y199-E206 HydrophobicContact CE1-CB 4.02Å; Y199-E206 HydrophobicContact CE1-CG 4.28Å; Y199-E206 HydrophobicContact CE2-CB 4.48Å; Y199-E206 HydrophobicContact CE2-CG 3.98Å; Y199-E206 HydrophobicContact CG-CB 3.74Å; Y199-E206 HydrophobicContact CG-CG 4.04Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.85Å; E206-E209 PolarHBondContact O-N 3.44Å; E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.37Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 WeakPolarHBondContact OE1-CE 3.27Å; E206-K210 IonicContact OE1-NZ 2.67Å; E206-K210 PolarHBondContact OE1-NZ 3.17Å
207E94.5Very high93.3Very high112 Ų11282.5 Ų82.552%0.52338%0.381SS..Hα-helixtrans-61.3-39.9178.7-62.675.6-167.100111.1N204 K211N204-E207 WeakPolarHBondContact CA-OE2 3.36Å; E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 2.95Å
208R95.2Very high93.1Very high147 Ų14785.4 Ų85.456%0.55539%0.39SS*.Hα-helixtrans-71.2-38.2-179.3-160.5-167.1-38174.47.2111.8I203 N204 L205 E206 Q212I203-R208 PolarHBondContact O-NH2 3.41Å; N204-R208 WeakPolarHBondContact O-CB 3.28Å; N204-R208 PolarHBondContact O-NE 2.99Å; N204-R208 PolarHBondContact O-NH2 3.39Å; L205-R208 PolarHBondContact O-N 2.88Å; E206-R208 VanDerWaalsContact C-N 3.29Å; E206-R208 PolarHBondContact O-N 2.85Å; R208-Q212 WeakPolarHBondContact O-CB 3.38Å; R208-Q212 PolarHBondContact O-N 2.81Å
209E95.1Very high93.1Very high61 Ų6193.2 Ų93.229%0.28543%0.426SS..Hα-helixtrans-67.6-45.7173.9-172.265.5-164.600111.2I145 L205 E206 K211 Q212 M213I145-E209 HydrophobicContact CD1-CB 4.35Å; I145-E209 HydrophobicContact CD1-CG 4.1Å; I145-E209 HydrophobicContact CG2-CG 3.84Å; L205-E209 PolarHBondContact O-N 2.8Å; E206-E209 PolarHBondContact O-N 3.44Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.03Å; E209-Q212 PolarHBondContact O-N 3.28Å; E209-M213 WeakPolarHBondContact O-CB 3.19Å; E209-M213 PolarHBondContact O-N 3.03Å
210K93.2Very high93Very high112 Ų11296.6 Ų96.649%0.48744%0.439SS..Hα-helixtrans-58.8-45.4175.3-76177.2-177.21670111.8E206 M213 H214E206-K210 HydrophobicContact CG-CD 4.25Å; E206-K210 WeakPolarHBondContact O-CB 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.37Å; E206-K210 PolarHBondContact O-N 2.95Å; E206-K210 WeakPolarHBondContact OE1-CE 3.27Å; E206-K210 IonicContact OE1-NZ 2.67Å; E206-K210 PolarHBondContact OE1-NZ 3.17Å; K210-M213 PolarHBondContact O-N 3.39Å; K210-H214 WeakPolarHBondContact O-CB 3.33Å; K210-H214 PolarHBondContact O-N 2.91Å
211K94.3Very high92.8Very high137 Ų13791.2 Ų91.260%0.59644%0.436SS*.Hα-helixtrans-60.6-47.2175.4-178.4176.1179.5175.90111.6E207 E209 M213 H214 D215E207-K211 VanDerWaalsContact O-CB 3.25Å; E207-K211 WeakPolarHBondContact O-CB 3.48Å; E207-K211 PolarHBondContact O-N 2.95Å; E209-K211 VanDerWaalsContact C-N 3.35Å; E209-K211 PolarHBondContact O-N 3.03Å; K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 2.87Å; K211-H214 PolarHBondContact O-N 3.42Å; K211-D215 WeakPolarHBondContact O-CB 3.34Å; K211-D215 PolarHBondContact O-N 2.92Å
212Q93.8Very high92.6Very high130 Ų13093.4 Ų93.461%0.60745%0.447SS*.Hα-helixtrans-59.5-41.5177.3-179.5174.410600111.9R208 E209 F216R208-Q212 WeakPolarHBondContact O-CB 3.38Å; R208-Q212 PolarHBondContact O-N 2.81Å; E209-Q212 PolarHBondContact O-N 3.28Å; Q212-F216 VanDerWaalsContact O-CB 3.26Å; Q212-F216 WeakPolarHBondContact O-CB 3.5Å; Q212-F216 PolarHBondContact O-N 3.42Å; Q212-F216 VanDerWaalsContact O-N 3.08Å
213M91.1Very high92.3Very high75 Ų75101.8 Ų101.837%0.36949%0.486SS..Hα-helixtrans-63.1-50.5174.8-177.3-173.171.900111.1E209 K210 K211 D215 F216 Y217 V224E209-M213 WeakPolarHBondContact O-CB 3.19Å; E209-M213 PolarHBondContact O-N 3.03Å; K210-M213 PolarHBondContact O-N 3.39Å; K211-M213 VanDerWaalsContact C-N 3.29Å; K211-M213 PolarHBondContact O-N 2.87Å; M213-D215 PolarHBondContact O-N 3.17Å; M213-F216 WeakPolarHBondContact O-CB 3.48Å; M213-F216 PolarHBondContact O-N 2.93Å; M213-Y217 HydrophobicContact CG-CD2 3.9Å; M213-Y217 HydrophobicContact CG-CE2 3.8Å; M213-Y217 VanDerWaalsContact O-CD2 3.27Å; M213-Y217 WeakPolarHBondContact O-CD2 3.37Å; M213-Y217 PolarHBondContact O-N 3.34Å; M213-Y217 VanDerWaalsContact O-N 3.13Å; M213-V224 HydrophobicContact CE-CG1 4.12Å
214H91.7Very high91.9Very high82 Ų8298.4 Ų98.438%0.3847%0.472SS..Hα-helixtrans-57.9-49.7179.7172.9-86.8000111.9K210 K211 F216 Y217 K218K210-H214 WeakPolarHBondContact O-CB 3.33Å; K210-H214 PolarHBondContact O-N 2.91Å; K211-H214 PolarHBondContact O-N 3.42Å; H214-F216 VanDerWaalsContact C-N 3.26Å; H214-F216 PolarHBondContact O-N 3.27Å; H214-Y217 PolarHBondContact O-N 2.98Å; H214-K218 WeakPolarHBondContact O-CB 3.47Å; H214-K218 PolarHBondContact O-N 2.99Å
215D94Very high91.5Very high62 Ų6296.5 Ų96.533%0.33247%0.465SS..Hα-helixtrans-58.9-39.8178.5-65.8-14.4000110.7K211 M213 Y217 K218 E219K211-D215 WeakPolarHBondContact O-CB 3.34Å; K211-D215 PolarHBondContact O-N 2.92Å; M213-D215 PolarHBondContact O-N 3.17Å; D215-Y217 PolarHBondContact O-N 3.08Å; D215-K218 PolarHBondContact O-N 2.85Å; D215-E219 WeakPolarHBondContact O-CB 3.33Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.49Å; D215-E219 PolarHBondContact O-N 2.88Å
216F93.3Very high90.4Very high73 Ų73104.1 Ų104.132%0.3250%0.497SS..Hα-helixtrans-61.5-42.2176.8175.2-79.8000114P32 Q212 M213 H214 R220P32-F216 HydrophobicContact CB-CE2 3.5Å; P32-F216 VanDerWaalsContact CB-CE2 3.5Å; P32-F216 HydrophobicContact CB-CZ 3.76Å; P32-F216 HydrophobicContact CG-CE2 3.76Å; P32-F216 HydrophobicContact CG-CZ 4.23Å; Q212-F216 VanDerWaalsContact O-CB 3.26Å; Q212-F216 WeakPolarHBondContact O-CB 3.5Å; Q212-F216 PolarHBondContact O-N 3.42Å; Q212-F216 VanDerWaalsContact O-N 3.08Å; M213-F216 WeakPolarHBondContact O-CB 3.48Å; M213-F216 PolarHBondContact O-N 2.93Å; H214-F216 VanDerWaalsContact C-N 3.26Å; H214-F216 PolarHBondContact O-N 3.27Å; F216-R220 VanDerWaalsContact CD1-NH1 3.3Å; F216-R220 VanDerWaalsContact CE1-NH1 3.32Å; F216-R220 PolarHBondContact O-NH1 3.08Å
217Y92.6Very high88.8Confident63 Ų63106.2 Ų106.225%0.24752%0.516CS..Hα-helixtrans-75.1-43.4179.2-82.5-84.5000110.8M213 H214 D215 E219 R220 G221 L222 E223 P225M213-Y217 HydrophobicContact CG-CD2 3.9Å; M213-Y217 HydrophobicContact CG-CE2 3.8Å; M213-Y217 VanDerWaalsContact O-CD2 3.27Å; M213-Y217 WeakPolarHBondContact O-CD2 3.37Å; M213-Y217 PolarHBondContact O-N 3.34Å; M213-Y217 VanDerWaalsContact O-N 3.13Å; H214-Y217 PolarHBondContact O-N 2.98Å; D215-Y217 PolarHBondContact O-N 3.08Å; Y217-E219 PolarHBondContact O-N 2.93Å; Y217-R220 CarbonylContact O-C 3.57Å; Y217-R220 PolarHBondContact O-N 3.17Å; Y217-R220 VanDerWaalsContact O-N 3.07Å; Y217-G221 PolarHBondContact O-N 3.06Å; Y217-L222 HydrophobicContact CD1-CB 3.74Å; Y217-L222 HydrophobicContact CD1-CD1 4.45Å; Y217-L222 HydrophobicContact CE1-CB 4.49Å; Y217-L222 PolarHBondContact O-N 3.15Å; Y217-E223 WeakPolarHBondContact CD1-O 3.49Å; Y217-P225 HydrophobicContact CE1-CG 3.86Å; Y217-P225 VanDerWaalsContact CE2-CD 3.45Å; Y217-P225 HydrophobicContact CE2-CG 3.87Å; Y217-P225 VanDerWaalsContact CZ-CG 3.45Å; Y217-P225 WeakPolarHBondContact OH-CG 3.3Å
218K91Very high86.6Confident148 Ų148105.9 Ų105.964%0.64353%0.533SS*.Hα-helixtrans-59.2-45.9177.3-175.3173.1-178.4170.80112.7H214 D215 R220 G221H214-K218 WeakPolarHBondContact O-CB 3.47Å; H214-K218 PolarHBondContact O-N 2.99Å; D215-K218 PolarHBondContact O-N 2.85Å; K218-R220 PolarHBondContact O-N 3.36Å; K218-R220 VanDerWaalsContact O-N 3.15Å; K218-G221 PolarHBondContact O-N 3.09Å; K218-G221 VanDerWaalsContact O-N 3.1Å
219E93.6Very high84Confident164 Ų164102.1 Ų102.177%0.76653%0.533SS*.THydrogen-bonded Turntrans-62.5-20.2177.6-76.4177.4178.400113.6D215 Y217D215-E219 WeakPolarHBondContact O-CB 3.33Å; D215-E219 VanDerWaalsContact O-CG 3.23Å; D215-E219 WeakPolarHBondContact O-CG 3.49Å; D215-E219 PolarHBondContact O-N 2.88Å; Y217-E219 PolarHBondContact O-N 2.93Å
220R93.4Very high81.4Confident114 Ų114105.2 Ų105.243%0.4356%0.559SS.*THydrogen-bonded Turntrans-100.5-1.8177.7-70.3-176.5-178.671.94.2113.9F216 Y217 K218 L222F216-R220 VanDerWaalsContact CD1-NH1 3.3Å; F216-R220 VanDerWaalsContact CE1-NH1 3.32Å; F216-R220 PolarHBondContact O-NH1 3.08Å; Y217-R220 CarbonylContact O-C 3.57Å; Y217-R220 PolarHBondContact O-N 3.17Å; Y217-R220 VanDerWaalsContact O-N 3.07Å; K218-R220 PolarHBondContact O-N 3.36Å; K218-R220 VanDerWaalsContact O-N 3.15Å; R220-L222 HydrophobicContact CB-CB 4.49Å; R220-L222 HydrophobicContact CB-CD1 3.89Å; R220-L222 HydrophobicContact CB-CG 3.87Å; R220-L222 PolarHBondContact O-N 2.87Å
221G88.1Confident78.7Confident73 Ų73107.1 Ų107.175%0.75357%0.569SS**THydrogen-bonded Turntrans60.331.8-172.400000112.6Y217 K218Y217-G221 PolarHBondContact O-N 3.06Å; K218-G221 PolarHBondContact O-N 3.09Å; K218-G221 VanDerWaalsContact O-N 3.1Å
222L87.9Confident76.1Confident95 Ų95106.1 Ų106.150%0.49758%0.576SS.*PPolyproline II helixtrans-102.8144.4176.9-65.3174.9000109.3Y217 R220 V224Y217-L222 HydrophobicContact CD1-CB 3.74Å; Y217-L222 HydrophobicContact CD1-CD1 4.45Å; Y217-L222 HydrophobicContact CE1-CB 4.49Å; Y217-L222 PolarHBondContact O-N 3.15Å; R220-L222 HydrophobicContact CB-CB 4.49Å; R220-L222 HydrophobicContact CB-CD1 3.89Å; R220-L222 HydrophobicContact CB-CG 3.87Å; R220-L222 PolarHBondContact O-N 2.87Å; L222-V224 PolarHBondContact O-N 3.4Å
223E84.1Confident73.7Confident183 Ų183106 Ų10686%0.85558%0.584SS**PPolyproline II helixtrans-60133.5172.2-71172-161.700110.9Y217Y217-E223 WeakPolarHBondContact CD1-O 3.49Å
224V83Confident71.4Confident60 Ų60107.4 Ų107.436%0.36460%0.599SS.*PPolyproline II helixtrans-71.3127.1176.4-178.60000108M213 L222 K226M213-V224 HydrophobicContact CE-CG1 4.12Å; L222-V224 PolarHBondContact O-N 3.4Å; V224-K226 PolarHBondContact O-N 2.96Å; V224-K226 VanDerWaalsContact O-N 3.08Å
225P82.1Confident69Low60 Ų60109.8 Ų109.839%0.3963%0.625SS.*PPolyproline II helixtrans-59.5118.4177.2-23.132.7000110.7Y217Y217-P225 HydrophobicContact CE1-CG 3.86Å; Y217-P225 VanDerWaalsContact CE2-CD 3.45Å; Y217-P225 HydrophobicContact CE2-CG 3.87Å; Y217-P225 VanDerWaalsContact CZ-CG 3.45Å; Y217-P225 WeakPolarHBondContact OH-CG 3.3Å
226K71.8Confident67Low173 Ų173111.9 Ų111.975%0.75264%0.644SS**PPolyproline II helixtrans-57.5128.8174.6-163.1161.4-172.1157.30108.4V224 A228V224-K226 PolarHBondContact O-N 2.96Å; V224-K226 VanDerWaalsContact O-N 3.08Å; K226-A228 PolarHBondContact O-N 3.49Å
227P60.6Low64.6Low106 Ų106119 Ų11969%0.68868%0.675SS**PPolyproline II helixtrans-52.5131.1175.3-22.531.5000108.3A229P227-A229 PolarHBondContact O-N 3.12Å
228A49.7Very low62.2Low105 Ų105119 Ų11987%0.86870%0.695SS**  trans-6972.4172.200000109K226K226-A228 PolarHBondContact O-N 3.49Å
229A40.1Very low60Low68 Ų68122.4 Ų122.456%0.56271%0.709SS**  trans-55.3142.516100000107.1P227 Q231P227-A229 PolarHBondContact O-N 3.12Å; A229-Q231 PolarHBondContact O-N 3.19Å
230P39.5Very low57.8Low127 Ų127120.7 Ų120.783%0.82571%0.71SS**  trans-6295169.97.80.1000107.6P232P230-P232 WeakPolarHBondContact O-CD 3.42Å; P230-P232 VanDerWaalsContact O-N 3.17Å
231Q37.3Very low55.7Low152 Ų152125.4 Ų125.471%0.7173%0.734SS**  trans-53.1120.1172.9-80.4-98.5-27.900107.9A229 V233A229-Q231 PolarHBondContact O-N 3.19Å; Q231-V233 PolarHBondContact O-N 3.32Å
232P39.1Very low53.7Low115 Ų115131.2 Ų131.275%0.74774%0.739SS**  trans-66.6101.5167.926.7-28.6000106.3P230 P234P230-P232 WeakPolarHBondContact O-CD 3.42Å; P230-P232 VanDerWaalsContact O-N 3.17Å; P232-P234 VanDerWaalsContact O-CD 3.22Å; P232-P234 WeakPolarHBondContact O-CD 3.25Å; P232-P234 VanDerWaalsContact O-N 3.09Å
233V43.2Very low51.7Low128 Ų128132.8 Ų132.878%0.77675%0.752SS**  trans-55.9117.9178.3-73.60000109.5Q231 S235Q231-V233 PolarHBondContact O-N 3.32Å; V233-S235 PolarHBondContact O-N 3.34Å
234P43.8Very low50.2Low105 Ų105131.5 Ų131.568%0.68275%0.75SS**  trans-66.6135.3174.525.1-29.1000108.6P232 S236P232-P234 VanDerWaalsContact O-CD 3.22Å; P232-P234 WeakPolarHBondContact O-CD 3.25Å; P232-P234 VanDerWaalsContact O-N 3.09Å; P234-S236 VanDerWaalsContact C-N 3.29Å; P234-S236 PolarHBondContact O-N 3.38Å
235S40.3Very low48.4Very low131 Ų131134.4 Ų134.492%0.91676%0.76SS**  trans-66.980.7-178.8-82.90000111.8V233V233-S235 PolarHBondContact O-N 3.34Å
236S52.6Low46.8Very low106 Ų106135.5 Ų135.574%0.74177%0.769SS**  trans-100.1106.8171.3-65.20000109.9P234 G238P234-S236 VanDerWaalsContact C-N 3.29Å; P234-S236 PolarHBondContact O-N 3.38Å; S236-G238 PolarHBondContact O-N 2.97Å
237K42.6Very low45.9Very low223 Ų223133.6 Ų133.697%0.9777%0.771SS**  trans-52.9101.5173.3-70.6167.4174.9167.60110.4
238G43.4Very low45.6Very low64 Ų64137.6 Ų137.666%0.6678%0.778SS**  trans-157.389.2173.200000110.8S236 T240S236-G238 PolarHBondContact O-N 2.97Å; G238-T240 PolarHBondContact O-N 3.04Å
239K44.9Very low46.1Very low218 Ų218142 Ų14295%0.94877%0.772SS**  trans-7094-179.4-75173.1175.7170.40110.7
240T46.8Very low46.9Very low128 Ų128141.7 Ų141.779%0.78576%0.761SS**  trans-128.2115.5150.648.20000109.4G238 K242G238-T240 PolarHBondContact O-N 3.04Å; T240-K242 PolarHBondContact O-N 2.7Å
241K48.2Very low48.1Very low214 Ų214138.2 Ų138.293%0.9374%0.738SS**  trans-72.679.6-169.7-154.8-179.7-169.6179.80110.2
242K47.4Very low49.5Very low195 Ų195135.7 Ų135.785%0.84874%0.735SS**  trans-87.8114.9159.9-73.9-171.2179.2178.20107.7T240 L244T240-K242 PolarHBondContact O-N 2.7Å; K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.61Å
243V46.2Very low50.9Low128 Ų128137.4 Ų137.478%0.77673%0.733SS**  trans-58.594.7175.6172.60000107.7E245V243-E245 HydrophobicContact CG1-CB 4.47Å; V243-E245 PolarHBondContact O-N 3.08Å; V243-E245 VanDerWaalsContact O-N 3.1Å
244L52.2Low52.4Low155 Ų155135.7 Ų135.781%0.81272%0.719SS**  trans-79.488.1165.6-154.6136.2000105.3K242 S246K242-L244 VanDerWaalsContact C-N 3.33Å; K242-L244 PolarHBondContact O-N 2.61Å; L244-S246 PolarHBondContact O-N 2.84Å
245E45.4Very low54.1Low122 Ų122132.1 Ų132.157%0.5769%0.694SS**  trans-58.4109.8176.1-159.6172.8-178.300107.5V243 V247 R249V243-E245 HydrophobicContact CG1-CB 4.47Å; V243-E245 PolarHBondContact O-N 3.08Å; V243-E245 VanDerWaalsContact O-N 3.1Å; E245-V247 PolarHBondContact O-N 3.04Å; E245-R249 IonicContact OE1-CZ 3.9Å; E245-R249 IonicContact OE1-NE 3.9Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 3.4Å
246S47.2Very low56.2Low83 Ų83126.5 Ų126.558%0.5865%0.653SS**  trans-51.8115.1-175.253.10000110.3L244 F248L244-S246 PolarHBondContact O-N 2.84Å; S246-F248 PolarHBondContact O-N 3.31Å
247V54.2Low58Low132 Ų132123.1 Ų123.180%0.863%0.63SS**SBendtrans-71.839.3178.5-173.40000111.4E245E245-V247 PolarHBondContact O-N 3.04Å
248F53.5Low60.4Low191 Ų191112.6 Ų112.684%0.83858%0.584SS**  trans-136.965.9170.9-77.8-83.7000108.1S246 I250S246-F248 PolarHBondContact O-N 3.31Å; F248-I250 PolarHBondContact O-N 2.81Å
249R59.8Low62.8Low198 Ų198110.2 Ų110.275%0.74756%0.556SS**  trans-79110162.8-72.5-161.4-176.6-174.23.3107E245E245-R249 IonicContact OE1-CZ 3.9Å; E245-R249 IonicContact OE1-NE 3.9Å; E245-R249 IonicContact OE1-NH2 3.31Å; E245-R249 PolarHBondContact OE1-NH2 3.4Å
250I58.7Low65.2Low61 Ų6199.9 Ų99.931%0.31351%0.511SS..  trans-56.4129169.1-58.5158.7000106.5F248 L254 D255F248-I250 PolarHBondContact O-N 2.81Å; I250-L254 HydrophobicContact CG2-CB 3.86Å; I250-D255 HydrophobicContact CB-CB 3.94Å; I250-D255 HydrophobicContact CG2-CB 3.6Å
251P64.1Low67.4Low53 Ų5396.6 Ų96.634%0.34449%0.487SS..  trans-51.4137175.6-26.233.9000110.3E253 L254 D255P251-E253 VanDerWaalsContact CB-CD 3.46Å; P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 WeakPolarHBondContact CB-OE1 3.32Å; P251-E253 PolarHBondContact O-N 2.86Å; P251-L254 HydrophobicContact CB-CD1 4.39Å; P251-L254 HydrophobicContact CB-CG 4.36Å; P251-L254 HydrophobicContact CG-CD1 4.07Å; P251-L254 PolarHBondContact O-N 2.74Å; P251-D255 PolarHBondContact O-N 2.77Å; P251-D255 VanDerWaalsContact O-N 3.08Å
252P65.3Low69.5Low99 Ų9989 Ų8964%0.64345%0.454SS*.THydrogen-bonded Turntrans-59.9-18.4-175.622.6-31.4000113.9D255P252-D255 VanDerWaalsContact CA-OD1 3.32Å; P252-D255 WeakPolarHBondContact CA-OD1 3.37Å
253E69Low71.4Confident151 Ų15184.9 Ų84.971%0.70644%0.44SS*.THydrogen-bonded Turntrans-78.3-20.5172.655.2-90.8-157.300114.1P251P251-E253 VanDerWaalsContact CB-CD 3.46Å; P251-E253 HydrophobicContact CB-CG 3.99Å; P251-E253 WeakPolarHBondContact CB-OE1 3.32Å; P251-E253 PolarHBondContact O-N 2.86Å
254L74.2Confident73.3Confident93 Ų9379.9 Ų79.949%0.48742%0.415SS..THydrogen-bonded Turntrans-105.5-15.8-179-64-178.3000112.7I250 P251 G284I250-L254 HydrophobicContact CG2-CB 3.86Å; P251-L254 HydrophobicContact CB-CD1 4.39Å; P251-L254 HydrophobicContact CB-CG 4.36Å; P251-L254 HydrophobicContact CG-CD1 4.07Å; P251-L254 PolarHBondContact O-N 2.74Å; L254-G284 PolarHBondContact O-N 2.92Å
255D79.5Confident74.6Confident29 Ų2974.3 Ų74.316%0.15539%0.391CS..EExtended strand (participates in β ladder)trans-85.5154.3-179.188.5-34.2000112.4I250 P251 P252 R281 V282I250-D255 HydrophobicContact CB-CB 3.94Å; I250-D255 HydrophobicContact CG2-CB 3.6Å; P251-D255 PolarHBondContact O-N 2.77Å; P251-D255 VanDerWaalsContact O-N 3.08Å; P252-D255 VanDerWaalsContact CA-OD1 3.32Å; P252-D255 WeakPolarHBondContact CA-OD1 3.37Å; D255-R281 IonicContact OD1-NH2 3.04Å; D255-R281 IonicContact OD2-CZ 3.64Å; D255-R281 IonicContact OD2-NE 3.87Å; D255-R281 PolarHBondContact OD2-NE 2.93Å; D255-R281 IonicContact OD2-NH2 2.66Å; D255-R281 PolarHBondContact OD2-NH2 3.25Å; D255-V282 CarbonylContact C-O 3.54Å; D255-V282 WeakPolarHBondContact CA-O 3.28Å
256M85.6Confident76Confident13 Ų1372.7 Ų72.76%0.06439%0.386CS..EExtended strand (participates in β ladder)trans-134.5133.7177.8-164.8171.5-63.400107.7L258 R281 V282 L322 R323 R326 L339M256-L258 HydrophobicContact CG-CD2 4.29Å; M256-R281 WeakPolarHBondContact O-CA 3.34Å; M256-V282 PolarHBondContact N-O 3.43Å; M256-V282 PolarHBondContact O-N 3.17Å; M256-L322 HydrophobicContact CE-CB 4.41Å; M256-L322 HydrophobicContact SD-CB 3.76Å; M256-R323 HydrophobicContact CE-CB 4.44Å; M256-R326 HydrophobicContact CE-CB 4.12Å; M256-R326 HydrophobicContact SD-CB 4.37Å; M256-L339 HydrophobicContact SD-CB 4.29Å; M256-L339 HydrophobicContact SD-CD2 3.79Å
257S90.1Very high76.6Confident35 Ų3578.3 Ų78.325%0.24540%0.403CS..EExtended strand (participates in β ladder)trans-96.7126178.9-61.30000109R281 L338 L339S257-R281 WeakPolarHBondContact OG-CG 3.33Å; S257-L338 CarbonylContact O-C 3.55Å; S257-L338 WeakPolarHBondContact O-CA 3.33Å; S257-L339 PolarHBondContact O-N 3.05Å
258L93.2Very high76.9Confident3 Ų379 Ų792%0.01640%0.402CS..EExtended strand (participates in β ladder)trans-109.4143.5-176.6-51.8-176.3000110.3M256 L260 F279 V280 V282 V291 L322 L339 L341M256-L258 HydrophobicContact CG-CD2 4.29Å; L258-L260 HydrophobicContact CB-CD2 4.48Å; L258-F279 WeakPolarHBondContact O-CA 3.4Å; L258-V280 HydrophobicContact CB-CB 4.49Å; L258-V280 PolarHBondContact N-O 2.92Å; L258-V280 PolarHBondContact O-N 3.5Å; L258-V282 HydrophobicContact CD1-CG2 3.63Å; L258-V282 HydrophobicContact CG-CG2 4.01Å; L258-V291 HydrophobicContact CD1-CG2 4.08Å; L258-L322 HydrophobicContact CD1-CD1 3.87Å; L258-L322 HydrophobicContact CD1-CD2 4.08Å; L258-L322 HydrophobicContact CD2-CD1 4.05Å; L258-L322 HydrophobicContact CD2-CD2 3.89Å; L258-L322 HydrophobicContact CD2-CG 4.48Å; L258-L322 HydrophobicContact CG-CD1 4.4Å; L258-L339 WeakPolarHBondContact CA-O 3.33Å; L258-L339 HydrophobicContact CD2-CB 3.83Å; L258-L339 HydrophobicContact CD2-CD2 3.98Å; L258-L339 HydrophobicContact CD2-CG 4.28Å; L258-L341 HydrophobicContact CD1-CD1 4.26Å; L258-L341 HydrophobicContact CD2-CD1 4.49Å
259L93.9Very high77.1Confident13 Ų1370.3 Ų70.37%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-109.6117.4163.1174.361.1000108.4E261 K278 F279 L338 L339 V340 L341L259-E261 HydrophobicContact CD1-CG 4.37Å; L259-E261 HydrophobicContact CD2-CG 4.16Å; L259-E261 HydrophobicContact CG-CG 3.86Å; L259-K278 HydrophobicContact CD1-CB 3.76Å; L259-K278 HydrophobicContact CD1-CD 4.41Å; L259-F279 HydrophobicContact CD1-CD1 4.03Å; L259-F279 HydrophobicContact CD1-CE1 3.64Å; L259-F279 HydrophobicContact CD1-CZ 3.97Å; L259-L338 HydrophobicContact CB-CB 4.22Å; L259-L338 HydrophobicContact CB-CD1 4.28Å; L259-L339 PolarHBondContact N-O 3.17Å; L259-V340 HydrophobicContact CB-CG2 4.43Å; L259-V340 HydrophobicContact CD2-CG1 4.31Å; L259-V340 HydrophobicContact CD2-CG2 4.18Å; L259-L341 PolarHBondContact O-N 3.04Å; L259-L341 VanDerWaalsContact O-O 3.11Å
260L94.2Very high77Confident2 Ų263.3 Ų63.31%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-100.3108179.9-58.8-179.9000110.4L258 L275 K278 V280 V291 F294 L295 L341 Y343L258-L260 HydrophobicContact CB-CD2 4.48Å; L260-L275 HydrophobicContact CB-CD1 4.06Å; L260-L275 HydrophobicContact CD1-CD1 3.86Å; L260-K278 WeakPolarHBondContact CB-O 3.24Å; L260-K278 PolarHBondContact N-O 2.93Å; L260-K278 WeakPolarHBondContact O-CB 3.41Å; L260-V280 HydrophobicContact CD1-CG2 3.64Å; L260-V280 HydrophobicContact CG-CG2 4.3Å; L260-V291 HydrophobicContact CD2-CG1 3.92Å; L260-F294 HydrophobicContact CD1-CD1 4.09Å; L260-F294 HydrophobicContact CD1-CE1 3.78Å; L260-L295 HydrophobicContact CD1-CD2 4.15Å; L260-L341 CarbonylContact C-O 3.57Å; L260-L341 WeakPolarHBondContact CA-O 3.5Å; L260-L341 HydrophobicContact CD2-CB 3.99Å; L260-L341 HydrophobicContact CD2-CD1 4.27Å; L260-Y343 HydrophobicContact CB-CD1 4.3Å; L260-Y343 HydrophobicContact CB-CE1 4.14Å
261E92.6Very high77.3Confident58 Ų5869.3 Ų69.327%0.27138%0.381SS..EExtended strand (participates in β ladder)trans-105.8134.6-179.3-57.4-149.1123.300111.8L259 V340 L341 H342 Y343L259-E261 HydrophobicContact CD1-CG 4.37Å; L259-E261 HydrophobicContact CD2-CG 4.16Å; L259-E261 HydrophobicContact CG-CG 3.86Å; E261-V340 HydrophobicContact CG-CG1 4.3Å; E261-L341 PolarHBondContact N-O 2.74Å; E261-H342 CarbonylContact O-C 3.51Å; E261-H342 VanDerWaalsContact O-CA 3.26Å; E261-H342 WeakPolarHBondContact O-CA 3.43Å; E261-H342 IonicContact OE2-CD2 3.51Å; E261-H342 IonicContact OE2-NE2 3.66Å; E261-H342 PolarHBondContact OE2-NE2 2.83Å; E261-Y343 WeakPolarHBondContact O-CD1 3.49Å; E261-Y343 WeakPolarHBondContact O-CE1 3.32Å; E261-Y343 PolarHBondContact O-N 3Å
262F92.3Very high77.6Confident56 Ų5669.6 Ų69.625%0.24638%0.377CS..EExtended strand (participates in β ladder)trans-89.7121.2179.5-177.9-119000110.1G264 A265 P274 Y343 L345F262-G264 WeakPolarHBondContact CE2-O 3.34Å; F262-G264 VanDerWaalsContact CZ-CA 3.46Å; F262-G264 WeakPolarHBondContact CZ-O 3.35Å; F262-A265 HydrophobicContact CZ-CB 4.12Å; F262-P274 HydrophobicContact CB-CB 4.05Å; F262-P274 HydrophobicContact CB-CG 4.39Å; F262-P274 HydrophobicContact CD1-CB 4.22Å; F262-P274 HydrophobicContact CD1-CG 3.69Å; F262-P274 HydrophobicContact CE1-CG 4.3Å; F262-P274 HydrophobicContact CG-CB 4.34Å; F262-P274 HydrophobicContact CG-CG 4.3Å; F262-Y343 HydrophobicContact CB-CE1 4.02Å; F262-Y343 HydrophobicContact CB-CE2 4.22Å; F262-Y343 AromaticContact CD2-CD2 3.85Å; F262-Y343 HydrophobicContact CD2-CD2 3.85Å; F262-Y343 AromaticContact CD2-CE2 3.38Å; F262-Y343 HydrophobicContact CD2-CE2 3.38Å; F262-Y343 AromaticContact CD2-CZ 3.79Å; F262-Y343 HydrophobicContact CE2-CE2 4.14Å; F262-Y343 HydrophobicContact CG-CE2 4.2Å; F262-L345 HydrophobicContact CE2-CD1 4.06Å; F262-L345 HydrophobicContact CE2-CG 4.03Å
263I89Confident78Confident107 Ų10773.1 Ų73.155%0.54938%0.382SS..EExtended strand (participates in β ladder)trans-86.1-31.2176.2-64.6171000111.2I310 H342 Y343I263-I310 HydrophobicContact CD1-CD1 4.43Å; I263-H342 HydrophobicContact CD1-CB 3.26Å; I263-H342 HydrophobicContact CG1-CB 3.67Å; I263-Y343 PolarHBondContact N-O 3.19Å
264G84.9Confident78.5Confident24 Ų2469.1 Ų69.125%0.24737%0.369CS..EExtended strand (participates in β ladder)trans147.6-179.4-177.200000113.1F262 G344 L345F262-G264 WeakPolarHBondContact CE2-O 3.34Å; F262-G264 VanDerWaalsContact CZ-CA 3.46Å; F262-G264 WeakPolarHBondContact CZ-O 3.35Å; G264-G344 WeakPolarHBondContact O-CA 3.46Å; G264-L345 PolarHBondContact O-N 3.49Å
265A80.8Confident79Confident38 Ų3865.2 Ų65.231%0.31435%0.349SS..EExtended strand (participates in β ladder)trans-131.5147.6172.400000109.1F262 T269 F272 L345F262-A265 HydrophobicContact CZ-CB 4.12Å; A265-T269 HydrophobicContact CB-CG2 4.36Å; A265-F272 HydrophobicContact CB-CD2 4.19Å; A265-L345 WeakPolarHBondContact CA-O 3.16Å; A265-L345 HydrophobicContact CB-CB 3.79Å; A265-L345 HydrophobicContact CB-CD1 4.4Å
266N73.7Confident79Confident87 Ų8773.2 Ų73.247%0.46539%0.385SS..  trans-63155.7174.3-73.7-9000110.9D268 T269 L345N266-D268 PolarHBondContact O-N 3.25Å; N266-T269 PolarHBondContact N-OG1 2.93Å; N266-T269 VanDerWaalsContact N-OG1 3.17Å; N266-T269 WeakPolarHBondContact O-CB 3.49Å; N266-T269 PolarHBondContact O-N 2.86Å; N266-T269 PolarHBondContact O-OG1 3.15Å; N266-L345 PolarHBondContact N-O 3.41Å; N266-L345 VanDerWaalsContact N-O 3.08Å
267E61Low79Confident202 Ų20280 Ų8094%0.94441%0.414SS*.THydrogen-bonded Turntrans-56.1-24.5-170-62.1-176.4128.900114.4
268D59.3Low79Confident145 Ų14582.4 Ų82.478%0.77542%0.42SS*.THydrogen-bonded Turntrans-86.8-11.5178.8-57-44.7000114.1N266N266-D268 PolarHBondContact O-N 3.25Å
269T58.3Low78.9Confident10 Ų1088.8 Ų88.86%0.06145%0.448CS..SBendtrans-88113.4175.5-6.40000105.4A265 N266 F272 L345 V347A265-T269 HydrophobicContact CB-CG2 4.36Å; N266-T269 PolarHBondContact N-OG1 2.93Å; N266-T269 VanDerWaalsContact N-OG1 3.17Å; N266-T269 WeakPolarHBondContact O-CB 3.49Å; N266-T269 PolarHBondContact O-N 2.86Å; N266-T269 PolarHBondContact O-OG1 3.15Å; T269-F272 HydrophobicContact CG2-CD2 3.93Å; T269-F272 HydrophobicContact CG2-CE2 3.2Å; T269-F272 HydrophobicContact CG2-CZ 3.96Å; T269-L345 HydrophobicContact CG2-CB 4.02Å; T269-V347 HydrophobicContact CG2-CG2 3.22Å
270G57.7Low78.7Confident51 Ų5189.4 Ų89.453%0.52645%0.452SS..  trans-51.3-177.7-176.100000116F272G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 WeakPolarHBondContact O-CD2 3.45Å; G270-F272 WeakPolarHBondContact O-CE2 3.37Å; G270-F272 PolarHBondContact O-N 3.36Å
271H64.3Low78.4Confident186 Ų18697 Ų9786%0.86148%0.481SS*.  trans-64.882.3-176.561.7-79.9000113.1K273H271-K273 PolarHBondContact O-N 3.22Å
272F70.2Confident78.2Confident60 Ų6096 Ų9626%0.26348%0.479SS..PPolyproline II helixtrans-77.6124.2176-66.7-78000110A265 T269 G270 M299 L301 L345A265-F272 HydrophobicContact CB-CD2 4.19Å; T269-F272 HydrophobicContact CG2-CD2 3.93Å; T269-F272 HydrophobicContact CG2-CE2 3.2Å; T269-F272 HydrophobicContact CG2-CZ 3.96Å; G270-F272 VanDerWaalsContact C-N 3.33Å; G270-F272 WeakPolarHBondContact O-CD2 3.45Å; G270-F272 WeakPolarHBondContact O-CE2 3.37Å; G270-F272 PolarHBondContact O-N 3.36Å; F272-M299 HydrophobicContact CB-CE 4.49Å; F272-L301 HydrophobicContact CD1-CD2 3.53Å; F272-L301 HydrophobicContact CE1-CD2 3.36Å; F272-L301 HydrophobicContact CG-CD2 4.45Å; F272-L301 HydrophobicContact CZ-CD2 4.2Å; F272-L345 HydrophobicContact CB-CD1 3.78Å; F272-L345 HydrophobicContact CD1-CD1 3.94Å; F272-L345 HydrophobicContact CD2-CD1 3.59Å; F272-L345 HydrophobicContact CE1-CD1 4.5Å; F272-L345 HydrophobicContact CE2-CD1 4.23Å; F272-L345 HydrophobicContact CG-CD1 3.45Å; F272-L345 VanDerWaalsContact CG-CD1 3.45Å
273K74.1Confident78.1Confident172 Ų17295 Ų9575%0.74848%0.479SS*.PPolyproline II helixtrans-79.9124.8172-71.2-175.4178.7-179.60109H271 M299H271-K273 PolarHBondContact O-N 3.22Å; K273-M299 WeakPolarHBondContact O-CE 3.49Å
274P80.5Confident78Confident68 Ų6890.2 Ų90.244%0.44246%0.456SS..PPolyproline II helixtrans-53.4153.8175.1-23.231.6000112.2F262 E276F262-P274 HydrophobicContact CB-CB 4.05Å; F262-P274 HydrophobicContact CB-CG 4.39Å; F262-P274 HydrophobicContact CD1-CB 4.22Å; F262-P274 HydrophobicContact CD1-CG 3.69Å; F262-P274 HydrophobicContact CE1-CG 4.3Å; F262-P274 HydrophobicContact CG-CB 4.34Å; F262-P274 HydrophobicContact CG-CG 4.3Å; P274-E276 PolarHBondContact O-N 2.95Å
275L82.8Confident78.3Confident11 Ų1193.2 Ų93.26%0.05846%0.463CS..PPolyproline II helixtrans-50.4124174.3-73.9175.6000112.1L260 K277 F294 L295 K298 M299 Y343L260-L275 HydrophobicContact CB-CD1 4.06Å; L260-L275 HydrophobicContact CD1-CD1 3.86Å; L275-K277 PolarHBondContact O-N 3.42Å; L275-F294 HydrophobicContact CD1-CE1 4.46Å; L275-L295 HydrophobicContact CD1-CD2 3.55Å; L275-L295 HydrophobicContact CG-CD2 4.23Å; L275-K298 HydrophobicContact CD2-CB 4.08Å; L275-K298 HydrophobicContact CD2-CG 3.37Å; L275-M299 HydrophobicContact CD2-CG 3.95Å; L275-M299 HydrophobicContact CD2-SD 3.51Å; L275-M299 VanDerWaalsContact CD2-SD 3.51Å; L275-M299 HydrophobicContact CG-CG 4.44Å; L275-M299 HydrophobicContact CG-SD 3.79Å; L275-Y343 HydrophobicContact CD1-CE1 4.25Å; L275-Y343 WeakPolarHBondContact CG-OH 3.34Å; L275-Y343 PolarHBondContact N-OH 2.8Å
276E80.7Confident78.8Confident197 Ų19792.2 Ų92.292%0.92146%0.455SS*.SBendtrans-61.6-35.2173.1-64.6179.6174.300112.1P274P274-E276 PolarHBondContact O-N 2.95Å
277K84.8Confident79.9Confident155 Ų15589.4 Ų89.467%0.67444%0.441SS*.  trans-115.6103.2176.7-65.1-175.2-178.6-176.60109L275 F279L275-K277 PolarHBondContact O-N 3.42Å; K277-F279 VanDerWaalsContact C-N 3.34Å
278K90.5Very high81.6Confident85 Ų8580 Ų8037%0.3740%0.397SS..  trans-80.1-15.6-178.1-58.8-175.7179.4-175.60113.8L259 L260L259-K278 HydrophobicContact CD1-CB 3.76Å; L259-K278 HydrophobicContact CD1-CD 4.41Å; L260-K278 WeakPolarHBondContact CB-O 3.24Å; L260-K278 PolarHBondContact N-O 2.93Å; L260-K278 WeakPolarHBondContact O-CB 3.41Å
279F91.1Very high83.3Confident138 Ų13873.7 Ų73.761%0.60537%0.367SS*.EExtended strand (participates in β ladder)trans-96.8131.4-174.1-53.7-86.3000111.2L258 L259 K277 L338L258-F279 WeakPolarHBondContact O-CA 3.4Å; L259-F279 HydrophobicContact CD1-CD1 4.03Å; L259-F279 HydrophobicContact CD1-CE1 3.64Å; L259-F279 HydrophobicContact CD1-CZ 3.97Å; K277-F279 VanDerWaalsContact C-N 3.34Å; F279-L338 HydrophobicContact CD1-CD1 3.69Å; F279-L338 HydrophobicContact CE1-CD1 3.52Å
280V89.7Confident85Confident25 Ų2578.4 Ų78.415%0.15239%0.388CS..EExtended strand (participates in β ladder)trans-135.9132.9178.4-167.10000109.6L258 L260 V282 F294L258-V280 HydrophobicContact CB-CB 4.49Å; L258-V280 PolarHBondContact N-O 2.92Å; L258-V280 PolarHBondContact O-N 3.5Å; L260-V280 HydrophobicContact CD1-CG2 3.64Å; L260-V280 HydrophobicContact CG-CG2 4.3Å; V280-V282 HydrophobicContact CG1-CG1 3.76Å; V280-F294 HydrophobicContact CG1-CZ 4.5Å; V280-F294 HydrophobicContact CG2-CE1 3.69Å; V280-F294 HydrophobicContact CG2-CZ 3.83Å
281R87.6Confident86.8Confident162 Ų16276.4 Ų76.461%0.61137%0.365SS*.EExtended strand (participates in β ladder)trans-102125.9168.2-76176.867.5-177.75109.3D255 M256 S257D255-R281 IonicContact OD1-NH2 3.04Å; D255-R281 IonicContact OD2-CZ 3.64Å; D255-R281 IonicContact OD2-NE 3.87Å; D255-R281 PolarHBondContact OD2-NE 2.93Å; D255-R281 IonicContact OD2-NH2 2.66Å; D255-R281 PolarHBondContact OD2-NH2 3.25Å; M256-R281 WeakPolarHBondContact O-CA 3.34Å; S257-R281 WeakPolarHBondContact OG-CG 3.33Å
282V89Confident88.2Confident36 Ų3668.3 Ų68.322%0.21833%0.328CS..EExtended strand (participates in β ladder)trans-144169-178.7-69.50000110.1D255 M256 L258 V280 A286 L322D255-V282 CarbonylContact C-O 3.54Å; D255-V282 WeakPolarHBondContact CA-O 3.28Å; M256-V282 PolarHBondContact N-O 3.43Å; M256-V282 PolarHBondContact O-N 3.17Å; L258-V282 HydrophobicContact CD1-CG2 3.63Å; L258-V282 HydrophobicContact CG-CG2 4.01Å; V280-V282 HydrophobicContact CG1-CG1 3.76Å; V282-A286 HydrophobicContact CB-CB 4.41Å; V282-A286 HydrophobicContact CG2-CB 4.44Å; V282-L322 HydrophobicContact CG2-CD1 3.35Å
283S89.2Confident89.3Confident36 Ų3672 Ų7225%0.25234%0.344SS..EExtended strand (participates in β ladder)trans-66.8143.2174.2174.40000110.2E285 A286S283-E285 PolarHBondContact O-N 3.12Å; S283-E285 PolarHBondContact OG-N 3.31Å; S283-A286 VanDerWaalsContact O-CB 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 3.07Å
284G88.4Confident90.2Very high6 Ų667.5 Ų67.56%0.06232%0.324CS..THydrogen-bonded Turntrans-60.1-20.1170.900000113.6L254 A286 L322 R323L254-G284 PolarHBondContact O-N 2.92Å; G284-A286 VanDerWaalsContact C-N 3.32Å; G284-L322 PolarHBondContact O-N 3.08Å; G284-R323 WeakPolarHBondContact O-CB 3.5Å; G284-R323 PolarHBondContact O-N 2.83Å
285E90.6Very high90.7Very high88 Ų8864.4 Ų64.441%0.41130%0.304SS..THydrogen-bonded Turntrans-81.9-7.5173.9-55.5-54.2134.500113.2S283 T287 R323S283-E285 PolarHBondContact O-N 3.12Å; S283-E285 PolarHBondContact OG-N 3.31Å; E285-T287 PolarHBondContact O-N 3.07Å; E285-R323 IonicContact OE1-CZ 3.08Å; E285-R323 IonicContact OE1-NE 3.93Å; E285-R323 PolarHBondContact OE1-NE 2.85Å; E285-R323 VanDerWaalsContact OE1-NE 3.12Å; E285-R323 IonicContact OE1-NH1 3.33Å; E285-R323 PolarHBondContact OE1-NH1 2.89Å; E285-R323 VanDerWaalsContact OE1-NH1 3.08Å; E285-R323 IonicContact OE1-NH2 3.12Å; E285-R323 PolarHBondContact OE1-NH2 3.39Å; E285-R323 IonicContact OE2-CZ 2.76Å; E285-R323 IonicContact OE2-NH2 2.92Å; E285-R323 PolarHBondContact OE2-NH2 3.26Å
286A92.4Very high91Very high17 Ų1766.8 Ų66.814%0.1431%0.312CS..  trans-64.4136.4173.900000109.4V282 S283 G284 H290 T321 L322V282-A286 HydrophobicContact CB-CB 4.41Å; V282-A286 HydrophobicContact CG2-CB 4.44Å; S283-A286 VanDerWaalsContact O-CB 3.24Å; S283-A286 WeakPolarHBondContact O-CB 3.31Å; S283-A286 PolarHBondContact O-N 3.07Å; G284-A286 VanDerWaalsContact C-N 3.32Å; A286-H290 HydrophobicContact CB-CB 4.38Å; A286-T321 WeakPolarHBondContact O-CA 2.88Å; A286-L322 HydrophobicContact CB-CD1 3.97Å; A286-L322 WeakPolarHBondContact O-CG 3.3Å; A286-L322 PolarHBondContact O-N 2.89Å
287T96.3Very high91.5Very high28 Ų2867.7 Ų67.717%0.17231%0.307CS..BIsolated β-bridgetrans-88.3163.9176.672.80000112.2E285 G289 H290 V291 R318 Y319 Q320 T321E285-T287 PolarHBondContact O-N 3.07Å; T287-G289 PolarHBondContact O-N 3.11Å; T287-G289 PolarHBondContact OG1-N 3.48Å; T287-H290 PolarHBondContact N-ND1 2.87Å; T287-H290 WeakPolarHBondContact O-CA 3.44Å; T287-H290 VanDerWaalsContact O-CB 3.29Å; T287-H290 WeakPolarHBondContact O-CB 3.29Å; T287-H290 PolarHBondContact O-N 3.27Å; T287-H290 PolarHBondContact OG1-CE1 3.2Å; T287-H290 PolarHBondContact OG1-ND1 3.42Å; T287-V291 PolarHBondContact O-N 2.9Å; T287-R318 WeakPolarHBondContact CB-O 3.46Å; T287-R318 PolarHBondContact OG1-O 3.38Å; T287-Y319 WeakPolarHBondContact CG2-O 3.46Å; T287-Q320 CarbonylContact C-O 3.48Å; T287-Q320 WeakPolarHBondContact CA-O 3.26Å; T287-Q320 WeakPolarHBondContact CB-O 3.32Å; T287-T321 HydrophobicContact CG2-CG2 4.12Å
288I95.7Very high91.6Very high4 Ų466.3 Ų66.32%0.02130%0.301CS..Hα-helixtrans-58-32.2172-64.6-55.5000112.3H290 V291 E292 I309 L316 Q320 L322 I325 L341I288-H290 PolarHBondContact O-N 3.25Å; I288-V291 PolarHBondContact O-N 3.49Å; I288-V291 VanDerWaalsContact O-N 3.12Å; I288-E292 WeakPolarHBondContact O-CB 3.45Å; I288-E292 PolarHBondContact O-N 3.38Å; I288-I309 HydrophobicContact CG2-CB 4.02Å; I288-I309 HydrophobicContact CG2-CD1 3.77Å; I288-I309 HydrophobicContact CG2-CG1 4.39Å; I288-I309 HydrophobicContact CG2-CG2 4.38Å; I288-L316 HydrophobicContact CD1-CD1 3.75Å; I288-L316 HydrophobicContact CG1-CB 3.96Å; I288-L316 HydrophobicContact CG1-CD1 4.07Å; I288-L316 HydrophobicContact CG2-CB 4.19Å; I288-Q320 PolarHBondContact N-O 3.36Å; I288-L322 HydrophobicContact CD1-CD2 3.95Å; I288-I325 HydrophobicContact CD1-CD1 3.45Å; I288-I325 VanDerWaalsContact CD1-CD1 3.45Å; I288-I325 HydrophobicContact CG1-CD1 3.44Å; I288-I325 VanDerWaalsContact CG1-CD1 3.44Å; I288-L341 HydrophobicContact CD1-CD1 4.09Å
289G95.5Very high91.4Very high13 Ų1364 Ų6413%0.13429%0.292CS..Hα-helixtrans-60.8-30.117100000113.9T287 K293 R318T287-G289 PolarHBondContact O-N 3.11Å; T287-G289 PolarHBondContact OG1-N 3.48Å; G289-K293 VanDerWaalsContact O-CB 3.32Å; G289-K293 WeakPolarHBondContact O-CB 3.48Å; G289-K293 PolarHBondContact O-N 2.81Å; G289-R318 PolarHBondContact N-O 2.9Å
290H95Very high91.1Very high109 Ų10960.5 Ų60.551%0.50530%0.295SS..Hα-helixtrans-72.4-40.8172.8-62.293.8000111.7A286 T287 I288 K293 F294A286-H290 HydrophobicContact CB-CB 4.38Å; T287-H290 PolarHBondContact N-ND1 2.87Å; T287-H290 WeakPolarHBondContact O-CA 3.44Å; T287-H290 VanDerWaalsContact O-CB 3.29Å; T287-H290 WeakPolarHBondContact O-CB 3.29Å; T287-H290 PolarHBondContact O-N 3.27Å; T287-H290 PolarHBondContact OG1-CE1 3.2Å; T287-H290 PolarHBondContact OG1-ND1 3.42Å; I288-H290 PolarHBondContact O-N 3.25Å; H290-K293 PolarHBondContact O-N 3.12Å; H290-F294 WeakPolarHBondContact O-CB 3.11Å; H290-F294 PolarHBondContact O-N 2.81Å
291V94.4Very high90.9Very high8 Ų859.8 Ų59.85%0.04829%0.29CS..Hα-helixtrans-64.8-43.2175.7-176.80000110.7L258 L260 T287 I288 K293 F294 L295 I309 L322 L341L258-V291 HydrophobicContact CD1-CG2 4.08Å; L260-V291 HydrophobicContact CD2-CG1 3.92Å; T287-V291 PolarHBondContact O-N 2.9Å; I288-V291 PolarHBondContact O-N 3.49Å; I288-V291 VanDerWaalsContact O-N 3.12Å; V291-K293 PolarHBondContact O-N 3.28Å; V291-F294 WeakPolarHBondContact O-CB 3.36Å; V291-F294 PolarHBondContact O-N 3.05Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.29Å; V291-I309 HydrophobicContact CB-CD1 4.18Å; V291-I309 HydrophobicContact CG1-CD1 4.04Å; V291-L322 HydrophobicContact CG2-CD2 4.27Å; V291-L341 HydrophobicContact CG1-CD1 4.45Å
292E93.8Very high90.7Very high16 Ų1657 Ų578%0.07529%0.288CS..Hα-helixtrans-58.4-47.5174-168.2-145.6142.400111.2I288 F294 L295 R296 V307 I309 R318I288-E292 WeakPolarHBondContact O-CB 3.45Å; I288-E292 PolarHBondContact O-N 3.38Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 2.88Å; E292-L295 PolarHBondContact O-N 3.45Å; E292-R296 WeakPolarHBondContact O-CB 3.43Å; E292-R296 PolarHBondContact O-N 2.89Å; E292-R296 IonicContact OE1-NH2 2.7Å; E292-V307 HydrophobicContact CG-CB 3.85Å; E292-V307 HydrophobicContact CG-CG1 4.4Å; E292-V307 HydrophobicContact CG-CG2 4.45Å; E292-I309 HydrophobicContact CB-CD1 3.99Å; E292-R318 IonicContact OE1-NH2 2.88Å; E292-R318 IonicContact OE2-CZ 3.2Å; E292-R318 IonicContact OE2-NE 2.71Å; E292-R318 PolarHBondContact OE2-NE 3.04Å; E292-R318 IonicContact OE2-NH2 2.61Å; E292-R318 PolarHBondContact OE2-NH2 3.07Å
293K92.8Very high90.3Very high138 Ų13860 Ų6060%0.631%0.308SS*.Hα-helixtrans-62.7-38.4176.7-174.3178.6-74.71750111.7G289 H290 V291 R297G289-K293 VanDerWaalsContact O-CB 3.32Å; G289-K293 WeakPolarHBondContact O-CB 3.48Å; G289-K293 PolarHBondContact O-N 2.81Å; H290-K293 PolarHBondContact O-N 3.12Å; V291-K293 PolarHBondContact O-N 3.28Å; K293-R297 WeakPolarHBondContact O-CB 3.18Å; K293-R297 PolarHBondContact O-N 2.93Å; K293-R297 VanDerWaalsContact O-N 3.11Å
294F92.5Very high89.9Confident78 Ų7859.5 Ų59.534%0.34231%0.306SS..Hα-helixtrans-61.6-49.7173.4167.5-97.6000111.2L260 L275 V280 H290 V291 E292 R296 R297 K298L260-F294 HydrophobicContact CD1-CD1 4.09Å; L260-F294 HydrophobicContact CD1-CE1 3.78Å; L275-F294 HydrophobicContact CD1-CE1 4.46Å; V280-F294 HydrophobicContact CG1-CZ 4.5Å; V280-F294 HydrophobicContact CG2-CE1 3.69Å; V280-F294 HydrophobicContact CG2-CZ 3.83Å; H290-F294 WeakPolarHBondContact O-CB 3.11Å; H290-F294 PolarHBondContact O-N 2.81Å; V291-F294 WeakPolarHBondContact O-CB 3.36Å; V291-F294 PolarHBondContact O-N 3.05Å; E292-F294 VanDerWaalsContact C-N 3.31Å; E292-F294 PolarHBondContact O-N 2.88Å; F294-R296 PolarHBondContact O-N 3.39Å; F294-R297 PolarHBondContact O-N 3.15Å; F294-K298 HydrophobicContact CZ-CB 4.41Å; F294-K298 HydrophobicContact CZ-CG 4.24Å; F294-K298 WeakPolarHBondContact O-CB 3.47Å; F294-K298 PolarHBondContact O-N 3.33Å
295L91.8Very high89.7Confident2 Ų259.5 Ų59.51%0.0131%0.305CS..Hα-helixtrans-58.5-48.3177.8-75.2168.3000111.5L260 L275 V291 E292 R297 K298 M299 V307 I309 Y343L260-L295 HydrophobicContact CD1-CD2 4.15Å; L275-L295 HydrophobicContact CD1-CD2 3.55Å; L275-L295 HydrophobicContact CG-CD2 4.23Å; V291-L295 HydrophobicContact CG1-CD1 4.31Å; V291-L295 WeakPolarHBondContact O-CG 3.33Å; V291-L295 PolarHBondContact O-N 3.29Å; E292-L295 PolarHBondContact O-N 3.45Å; L295-R297 PolarHBondContact O-N 2.96Å; L295-K298 PolarHBondContact O-N 2.86Å; L295-M299 VanDerWaalsContact O-CB 3.26Å; L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 VanDerWaalsContact O-CG 3.3Å; L295-M299 WeakPolarHBondContact O-CG 3.46Å; L295-M299 PolarHBondContact O-N 3.26Å; L295-V307 HydrophobicContact CB-CG1 4.39Å; L295-V307 HydrophobicContact CD1-CG1 3.83Å; L295-I309 HydrophobicContact CD1-CD1 4.02Å; L295-I309 HydrophobicContact CD1-CG1 4.32Å; L295-Y343 HydrophobicContact CD1-CD1 4.26Å; L295-Y343 HydrophobicContact CD1-CD2 4.1Å; L295-Y343 HydrophobicContact CD1-CG 3.78Å; L295-Y343 HydrophobicContact CD2-CD1 4.11Å; L295-Y343 HydrophobicContact CD2-CD2 4.04Å; L295-Y343 HydrophobicContact CD2-CE1 4.06Å; L295-Y343 HydrophobicContact CD2-CE2 3.97Å; L295-Y343 HydrophobicContact CD2-CG 4.11Å
296R90.1Very high89.6Confident62 Ų6259.5 Ų59.523%0.23431%0.305CS..Hα-helixtrans-55.9-48.6178.3-175.3178.6-66.8-87.62.9112.2E292 F294 G300 L301 D302 P303 C305E292-R296 WeakPolarHBondContact O-CB 3.43Å; E292-R296 PolarHBondContact O-N 2.89Å; E292-R296 IonicContact OE1-NH2 2.7Å; F294-R296 PolarHBondContact O-N 3.39Å; R296-G300 PolarHBondContact O-N 3.02Å; R296-L301 HydrophobicContact CG-CB 4.17Å; R296-L301 PolarHBondContact O-N 3.13Å; R296-D302 PolarHBondContact NH1-O 2.84Å; R296-P303 VanDerWaalsContact NH1-CA 3.28Å; R296-C305 PolarHBondContact NH1-O 3.25Å; R296-C305 VanDerWaalsContact NH1-O 3.14Å; R296-C305 PolarHBondContact NH2-O 2.89Å
297R89.3Confident89.5Confident215 Ų21559.1 Ų59.181%0.81130%0.301SS*.Hα-helixtrans-70.4-38.4-179.9-174.5177.8-80-177.6-6112.1K293 F294 L295K293-R297 WeakPolarHBondContact O-CB 3.18Å; K293-R297 PolarHBondContact O-N 2.93Å; K293-R297 VanDerWaalsContact O-N 3.11Å; F294-R297 PolarHBondContact O-N 3.15Å; L295-R297 PolarHBondContact O-N 2.96Å
298K88.5Confident89.4Confident126 Ų12659.8 Ų59.855%0.54830%0.303SS..Hα-helixtrans-73.9-34.6-176-172.162.7175.7179.10112.7L275 F294 L295L275-K298 HydrophobicContact CD2-CB 4.08Å; L275-K298 HydrophobicContact CD2-CG 3.37Å; F294-K298 HydrophobicContact CZ-CB 4.41Å; F294-K298 HydrophobicContact CZ-CG 4.24Å; F294-K298 WeakPolarHBondContact O-CB 3.47Å; F294-K298 PolarHBondContact O-N 3.33Å; L295-K298 PolarHBondContact O-N 2.86Å
299M86.6Confident89.3Confident36 Ų3659.8 Ų59.818%0.17730%0.303CS..Hα-helixtrans-95-6-179.1-60.3-75.3-71.500112.9F272 K273 L275 L295 L301F272-M299 HydrophobicContact CB-CE 4.49Å; K273-M299 WeakPolarHBondContact O-CE 3.49Å; L275-M299 HydrophobicContact CD2-CG 3.95Å; L275-M299 HydrophobicContact CD2-SD 3.51Å; L275-M299 VanDerWaalsContact CD2-SD 3.51Å; L275-M299 HydrophobicContact CG-CG 4.44Å; L275-M299 HydrophobicContact CG-SD 3.79Å; L295-M299 VanDerWaalsContact O-CB 3.26Å; L295-M299 WeakPolarHBondContact O-CB 3.32Å; L295-M299 VanDerWaalsContact O-CG 3.3Å; L295-M299 WeakPolarHBondContact O-CG 3.46Å; L295-M299 PolarHBondContact O-N 3.26Å; M299-L301 HydrophobicContact CB-CD1 4.39Å; M299-L301 HydrophobicContact CB-CD2 3.74Å; M299-L301 HydrophobicContact CB-CG 3.79Å
300G84.7Confident89.2Confident65 Ų6561.5 Ų61.567%0.6731%0.309SS*.THydrogen-bonded Turntrans65.137.4-179.200000113.3R296R296-G300 PolarHBondContact O-N 3.02Å
301L85Confident89.2Confident11 Ų1156.3 Ų56.36%0.05829%0.285CS..  trans-75.3137.7-174.8-50.8175.7000111.6F272 R296 M299 C305 V307 L345F272-L301 HydrophobicContact CD1-CD2 3.53Å; F272-L301 HydrophobicContact CE1-CD2 3.36Å; F272-L301 HydrophobicContact CG-CD2 4.45Å; F272-L301 HydrophobicContact CZ-CD2 4.2Å; R296-L301 HydrophobicContact CG-CB 4.17Å; R296-L301 PolarHBondContact O-N 3.13Å; M299-L301 HydrophobicContact CB-CD1 4.39Å; M299-L301 HydrophobicContact CB-CD2 3.74Å; M299-L301 HydrophobicContact CB-CG 3.79Å; L301-C305 HydrophobicContact CB-CB 4.3Å; L301-V307 HydrophobicContact CD1-CG2 3.41Å; L301-V307 VanDerWaalsContact CD1-CG2 3.41Å; L301-L345 HydrophobicContact CD1-CD2 3.5Å; L301-L345 HydrophobicContact CD2-CD1 3.91Å; L301-L345 HydrophobicContact CD2-CD2 4.33Å
302D82.2Confident88.8Confident103 Ų10358.3 Ų58.355%0.55131%0.307SS*.  trans-62.1146.6174-171.5-90.8000111.6R296 A304 C305R296-D302 PolarHBondContact NH1-O 2.84Å; D302-A304 PolarHBondContact O-N 2.86Å; D302-A304 WeakPolarHBondContact OD1-CB 3.35Å; D302-A304 PolarHBondContact OD1-N 2.94Å; D302-C305 WeakPolarHBondContact O-CB 3.5Å; D302-C305 PolarHBondContact O-N 3.13Å
303P82.1Confident88.5Confident100 Ų10065.4 Ų65.465%0.64935%0.345SS*.THydrogen-bonded Turntrans-50.3-27.1173.4-30.137.9000115.4R296 C305R296-P303 VanDerWaalsContact NH1-CA 3.28Å; P303-C305 VanDerWaalsContact C-N 3.34Å
304A81.3Confident88.4Confident24 Ų2464.1 Ų64.120%0.19834%0.341CS..THydrogen-bonded Turntrans-76.3-17.5177.100000114.3D302 K351D302-A304 PolarHBondContact O-N 2.86Å; D302-A304 WeakPolarHBondContact OD1-CB 3.35Å; D302-A304 PolarHBondContact OD1-N 2.94Å; A304-K351 HydrophobicContact CB-CD 4.07Å
305C84.2Confident88.4Confident7 Ų765.7 Ų65.75%0.04735%0.353CS..EExtended strand (participates in β ladder)trans-81125.1175.9-168.10000109.9R296 L301 D302 P303R296-C305 PolarHBondContact NH1-O 3.25Å; R296-C305 VanDerWaalsContact NH1-O 3.14Å; R296-C305 PolarHBondContact NH2-O 2.89Å; L301-C305 HydrophobicContact CB-CB 4.3Å; D302-C305 WeakPolarHBondContact O-CB 3.5Å; D302-C305 PolarHBondContact O-N 3.13Å; P303-C305 VanDerWaalsContact C-N 3.34Å
306Q86.9Confident88.5Confident87 Ų8766.3 Ų66.341%0.40736%0.356SS..EExtended strand (participates in β ladder)trans-87.4144.4169.3-175.5172.6-10.500109.5D308 V346Q306-D308 PolarHBondContact NE2-OD1 3.49Å; Q306-V346 WeakPolarHBondContact CA-O 3.24Å; Q306-V346 HydrophobicContact CB-CB 4.46Å; Q306-V346 WeakPolarHBondContact CB-O 3.39Å; Q306-V346 PolarHBondContact N-O 2.86Å; Q306-V346 PolarHBondContact O-N 2.84Å
307V91.4Very high88.7Confident9 Ų968.2 Ų68.26%0.05537%0.368CS..EExtended strand (participates in β ladder)trans-117.2113.4175.6-176.30000106.9E292 L295 L301 I309 G344 L345E292-V307 HydrophobicContact CG-CB 3.85Å; E292-V307 HydrophobicContact CG-CG1 4.4Å; E292-V307 HydrophobicContact CG-CG2 4.45Å; L295-V307 HydrophobicContact CB-CG1 4.39Å; L295-V307 HydrophobicContact CD1-CG1 3.83Å; L301-V307 HydrophobicContact CD1-CG2 3.41Å; L301-V307 VanDerWaalsContact CD1-CG2 3.41Å; V307-I309 HydrophobicContact CG1-CG1 4.18Å; V307-G344 WeakPolarHBondContact CA-O 2.85Å; V307-L345 HydrophobicContact CB-CD2 4.38Å; V307-L345 HydrophobicContact CG1-CD2 4.32Å; V307-L345 HydrophobicContact CG2-CD2 3.78Å
308D92.9Very high89Confident43 Ų4365.8 Ų65.823%0.2336%0.358CS..EExtended strand (participates in β ladder)trans-97.2133.5175.5-67.1-28.7000108.7Q306 L315 Y343 G344Q306-D308 PolarHBondContact NE2-OD1 3.49Å; D308-L315 HydrophobicContact CB-CD1 4.02Å; D308-Y343 CarbonylContact O-C 3.52Å; D308-Y343 VanDerWaalsContact O-CA 3.24Å; D308-Y343 WeakPolarHBondContact O-CA 3.42Å; D308-G344 PolarHBondContact N-O 2.61Å; D308-G344 PolarHBondContact O-N 2.92Å
309I94.7Very high89.3Confident4 Ų467.1 Ų67.12%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-121.4126.8-176.7-56.9172.9000108.5I288 V291 E292 L295 V307 L316 L341 H342I288-I309 HydrophobicContact CG2-CB 4.02Å; I288-I309 HydrophobicContact CG2-CD1 3.77Å; I288-I309 HydrophobicContact CG2-CG1 4.39Å; I288-I309 HydrophobicContact CG2-CG2 4.38Å; V291-I309 HydrophobicContact CB-CD1 4.18Å; V291-I309 HydrophobicContact CG1-CD1 4.04Å; E292-I309 HydrophobicContact CB-CD1 3.99Å; L295-I309 HydrophobicContact CD1-CD1 4.02Å; L295-I309 HydrophobicContact CD1-CG1 4.32Å; V307-I309 HydrophobicContact CG1-CG1 4.18Å; I309-L316 HydrophobicContact CG2-CD1 4.21Å; I309-L316 WeakPolarHBondContact O-CB 3.12Å; I309-L316 PolarHBondContact O-N 2.97Å; I309-L341 HydrophobicContact CG2-CB 4.12Å; I309-L341 HydrophobicContact CG2-CD1 4.4Å; I309-H342 CarbonylContact C-O 3.6Å; I309-H342 VanDerWaalsContact CA-O 3.31Å; I309-H342 WeakPolarHBondContact CA-O 3.34Å
310I94.1Very high89.6Confident49 Ų4967.4 Ų67.425%0.25136%0.362SS..EExtended strand (participates in β ladder)trans-125.1144.5-173.3-59.3166.4000108.9I263 G312 H314 L315 H342I263-I310 HydrophobicContact CD1-CD1 4.43Å; I310-G312 VanDerWaalsContact CG2-O 3.24Å; I310-G312 WeakPolarHBondContact CG2-O 3.4Å; I310-H314 CarbonylContact C-O 3.59Å; I310-H314 VanDerWaalsContact CA-O 3.29Å; I310-H314 WeakPolarHBondContact CA-O 3.34Å; I310-H314 WeakPolarHBondContact CG2-O 3.41Å; I310-L315 HydrophobicContact CG1-CD1 3.84Å; I310-H342 PolarHBondContact N-O 3.05Å; I310-H342 PolarHBondContact O-N 3.08Å
311C93Very high90.1Very high0 Ų065.1 Ų65.10%034%0.335CS..EExtended strand (participates in β ladder)trans-127.8117169.2-171.90000109.4D313 H314 L316 I325 I329 A333 V340 L341C311-D313 PolarHBondContact O-N 3.21Å; C311-H314 PolarHBondContact N-O 2.93Å; C311-H314 PolarHBondContact O-N 3.31Å; C311-L316 HydrophobicContact CB-CD1 3.8Å; C311-L316 HydrophobicContact CB-CD2 4.26Å; C311-L316 HydrophobicContact CB-CG 4.26Å; C311-I325 HydrophobicContact CB-CG2 4.35Å; C311-I329 HydrophobicContact CB-CD1 3.61Å; C311-I329 VanDerWaalsContact SG-CD1 3.58Å; C311-A333 WeakPolarHBondContact SG-CB 3.31Å; C311-V340 PolarHBondContact SG-O 3Å; C311-L341 HydrophobicContact CB-CD2 3.83Å
312G88.1Confident90.5Very high50 Ų5064.6 Ų64.652%0.51533%0.332SS..THydrogen-bonded Turntrans59.6-119.1-166.100000110.6I310I310-G312 VanDerWaalsContact CG2-O 3.24Å; I310-G312 WeakPolarHBondContact CG2-O 3.4Å
313D86.5Confident90.9Very high164 Ų16464.9 Ų64.988%0.87733%0.325SS*.THydrogen-bonded Turntrans-100.98.2177.5-60.9-45000113.2C311C311-D313 PolarHBondContact O-N 3.21Å
314H91.7Very high91.4Very high111 Ų11164.9 Ų64.951%0.51432%0.317SS..EExtended strand (participates in β ladder)trans-104.9118-173.8-59.5-69.8000112.1I310 C311 L316I310-H314 CarbonylContact C-O 3.59Å; I310-H314 VanDerWaalsContact CA-O 3.29Å; I310-H314 WeakPolarHBondContact CA-O 3.34Å; I310-H314 WeakPolarHBondContact CG2-O 3.41Å; C311-H314 PolarHBondContact N-O 2.93Å; C311-H314 PolarHBondContact O-N 3.31Å; H314-L316 PolarHBondContact O-N 3.49Å
315L92.7Very high91.9Very high111 Ų11163.8 Ų63.858%0.58131%0.308SS*.EExtended strand (participates in β ladder)trans-69.5126.4167.1-176.867000109.5D308 I310D308-L315 HydrophobicContact CB-CD1 4.02Å; I310-L315 HydrophobicContact CG1-CD1 3.84Å
316L93.8Very high92.2Very high15 Ų1569.6 Ų69.68%0.07933%0.329CS..PPolyproline II helixtrans-96.5138.8-172.8-57.3176.8000112I288 I309 C311 H314 I325 L341I288-L316 HydrophobicContact CD1-CD1 3.75Å; I288-L316 HydrophobicContact CG1-CB 3.96Å; I288-L316 HydrophobicContact CG1-CD1 4.07Å; I288-L316 HydrophobicContact CG2-CB 4.19Å; I309-L316 HydrophobicContact CG2-CD1 4.21Å; I309-L316 WeakPolarHBondContact O-CB 3.12Å; I309-L316 PolarHBondContact O-N 2.97Å; C311-L316 HydrophobicContact CB-CD1 3.8Å; C311-L316 HydrophobicContact CB-CD2 4.26Å; C311-L316 HydrophobicContact CB-CG 4.26Å; H314-L316 PolarHBondContact O-N 3.49Å; L316-I325 HydrophobicContact CD1-CD1 3.71Å; L316-I325 HydrophobicContact CD1-CG1 4.47Å; L316-I325 HydrophobicContact CD1-CG2 4.4Å; L316-I325 HydrophobicContact CD2-CD1 4.09Å; L316-I325 HydrophobicContact CD2-CG1 4.06Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; L316-I325 HydrophobicContact CG-CD1 4.37Å; L316-L341 HydrophobicContact CD1-CD2 3.76Å
317E94Very high92.3Very high103 Ų10374.9 Ų74.948%0.48135%0.345SS..PPolyproline II helixtrans-90.1148.1179.6-59.6-172.4-144.700111.5Y319 Q320E317-Y319 HydrophobicContact CB-CD1 4.09Å; E317-Y319 HydrophobicContact CB-CE1 3.63Å; E317-Y319 HydrophobicContact CB-CE2 4.46Å; E317-Y319 HydrophobicContact CG-CE1 4.33Å; E317-Y319 PolarHBondContact O-N 3.12Å; E317-Y319 PolarHBondContact OE1-OH 2.82Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.33Å; E317-Y319 PolarHBondContact OE2-OH 3.13Å; E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 PolarHBondContact O-N 3.35Å
318R94.3Very high92.3Very high163 Ų16378.4 Ų78.462%0.61538%0.375SS*.THydrogen-bonded Turntrans-59.9-24.9-170.1-56.5178.878.2-169.211.5114.6T287 G289 E292T287-R318 WeakPolarHBondContact CB-O 3.46Å; T287-R318 PolarHBondContact OG1-O 3.38Å; G289-R318 PolarHBondContact N-O 2.9Å; E292-R318 IonicContact OE1-NH2 2.88Å; E292-R318 IonicContact OE2-CZ 3.2Å; E292-R318 IonicContact OE2-NE 2.71Å; E292-R318 PolarHBondContact OE2-NE 3.04Å; E292-R318 IonicContact OE2-NH2 2.61Å; E292-R318 PolarHBondContact OE2-NH2 3.07Å
319Y94.8Very high92Very high154 Ų15478 Ų7860%0.60437%0.372SS*.THydrogen-bonded Turntrans-87.5-17-179.259.2-101000113.7T287 E317 T321T287-Y319 WeakPolarHBondContact CG2-O 3.46Å; E317-Y319 HydrophobicContact CB-CD1 4.09Å; E317-Y319 HydrophobicContact CB-CE1 3.63Å; E317-Y319 HydrophobicContact CB-CE2 4.46Å; E317-Y319 HydrophobicContact CG-CE1 4.33Å; E317-Y319 PolarHBondContact O-N 3.12Å; E317-Y319 PolarHBondContact OE1-OH 2.82Å; E317-Y319 WeakPolarHBondContact OE2-CE1 3.33Å; E317-Y319 PolarHBondContact OE2-OH 3.13Å; Y319-T321 PolarHBondContact O-N 3.29Å
320Q94.2Very high91.5Very high43 Ų4378.9 Ų78.920%0.20138%0.383CS..  trans-66.8133.9-178.3-64.6-177.35700110.2T287 I288 E317 I325T287-Q320 CarbonylContact C-O 3.48Å; T287-Q320 WeakPolarHBondContact CA-O 3.26Å; T287-Q320 WeakPolarHBondContact CB-O 3.32Å; I288-Q320 PolarHBondContact N-O 3.36Å; E317-Q320 HydrophobicContact CB-CG 4.25Å; E317-Q320 PolarHBondContact O-N 3.35Å; Q320-I325 HydrophobicContact CB-CD1 4.13Å; Q320-I325 HydrophobicContact CB-CG1 4.17Å
321T94.5Very high90.8Very high16 Ų1683.5 Ų83.510%0.09841%0.408CS..BIsolated β-bridgetrans-82.5152.2175.1640000111.3A286 T287 Y319 R323 E324 I325A286-T321 WeakPolarHBondContact O-CA 2.88Å; T287-T321 HydrophobicContact CG2-CG2 4.12Å; Y319-T321 PolarHBondContact O-N 3.29Å; T321-R323 PolarHBondContact O-N 3.02Å; T321-E324 PolarHBondContact N-OE2 3.28Å; T321-E324 PolarHBondContact O-N 3.1Å; T321-E324 VanDerWaalsContact O-N 3.13Å; T321-E324 WeakPolarHBondContact OG1-CB 3.49Å; T321-E324 WeakPolarHBondContact OG1-CG 3.32Å; T321-E324 PolarHBondContact OG1-N 3.06Å; T321-E324 VanDerWaalsContact OG1-N 3.13Å; T321-E324 PolarHBondContact OG1-OE2 2.79Å; T321-I325 WeakPolarHBondContact O-CD1 3.21Å; T321-I325 WeakPolarHBondContact O-CG1 3.31Å; T321-I325 PolarHBondContact O-N 2.94Å
322L93.3Very high90.3Very high0 Ų089.5 Ų89.50%045%0.445CS..Hα-helixtrans-59.7-33.6176.3-64.1166000111.8M256 L258 V282 G284 A286 I288 V291 I325 R326 L339 L341M256-L322 HydrophobicContact CE-CB 4.41Å; M256-L322 HydrophobicContact SD-CB 3.76Å; L258-L322 HydrophobicContact CD1-CD1 3.87Å; L258-L322 HydrophobicContact CD1-CD2 4.08Å; L258-L322 HydrophobicContact CD2-CD1 4.05Å; L258-L322 HydrophobicContact CD2-CD2 3.89Å; L258-L322 HydrophobicContact CD2-CG 4.48Å; L258-L322 HydrophobicContact CG-CD1 4.4Å; V282-L322 HydrophobicContact CG2-CD1 3.35Å; G284-L322 PolarHBondContact O-N 3.08Å; A286-L322 HydrophobicContact CB-CD1 3.97Å; A286-L322 WeakPolarHBondContact O-CG 3.3Å; A286-L322 PolarHBondContact O-N 2.89Å; I288-L322 HydrophobicContact CD1-CD2 3.95Å; V291-L322 HydrophobicContact CG2-CD2 4.27Å; L322-I325 PolarHBondContact O-N 2.88Å; L322-R326 WeakPolarHBondContact O-CB 3.38Å; L322-R326 PolarHBondContact O-N 2.8Å; L322-L339 HydrophobicContact CB-CD2 4.35Å; L322-L339 HydrophobicContact CD2-CD2 3.96Å; L322-L341 HydrophobicContact CD2-CD1 3.84Å
323R90.3Very high90Very high109 Ų10987.3 Ų87.341%0.41142%0.422SS..Hα-helixtrans-67.4-40.5174.9-170.1174.667.9173.3-6.1112.9M256 G284 E285 T321 R327M256-R323 HydrophobicContact CE-CB 4.44Å; G284-R323 WeakPolarHBondContact O-CB 3.5Å; G284-R323 PolarHBondContact O-N 2.83Å; E285-R323 IonicContact OE1-CZ 3.08Å; E285-R323 IonicContact OE1-NE 3.93Å; E285-R323 PolarHBondContact OE1-NE 2.85Å; E285-R323 VanDerWaalsContact OE1-NE 3.12Å; E285-R323 IonicContact OE1-NH1 3.33Å; E285-R323 PolarHBondContact OE1-NH1 2.89Å; E285-R323 VanDerWaalsContact OE1-NH1 3.08Å; E285-R323 IonicContact OE1-NH2 3.12Å; E285-R323 PolarHBondContact OE1-NH2 3.39Å; E285-R323 IonicContact OE2-CZ 2.76Å; E285-R323 IonicContact OE2-NH2 2.92Å; E285-R323 PolarHBondContact OE2-NH2 3.26Å; T321-R323 PolarHBondContact O-N 3.02Å; R323-R327 WeakPolarHBondContact O-CB 3.41Å; R323-R327 VanDerWaalsContact O-CG 3.31Å; R323-R327 WeakPolarHBondContact O-CG 2.9Å; R323-R327 PolarHBondContact O-N 3.14Å
324E92.8Very high89.9Confident101 Ų10181.6 Ų81.647%0.47239%0.391SS..Hα-helixtrans-64-44174.2-76159.2166.400111.1T321 R326 R327 A328T321-E324 PolarHBondContact N-OE2 3.28Å; T321-E324 PolarHBondContact O-N 3.1Å; T321-E324 VanDerWaalsContact O-N 3.13Å; T321-E324 WeakPolarHBondContact OG1-CB 3.49Å; T321-E324 WeakPolarHBondContact OG1-CG 3.32Å; T321-E324 PolarHBondContact OG1-N 3.06Å; T321-E324 VanDerWaalsContact OG1-N 3.13Å; T321-E324 PolarHBondContact OG1-OE2 2.79Å; E324-R326 PolarHBondContact O-N 2.79Å; E324-R327 PolarHBondContact O-N 3.47Å; E324-R327 VanDerWaalsContact O-N 3.13Å; E324-A328 WeakPolarHBondContact O-CB 3.44Å; E324-A328 PolarHBondContact O-N 2.71Å
325I92.2Very high89.7Confident1 Ų181 Ų811%0.00539%0.388CS..Hα-helixtrans-61.3-47.8178.6-65.9161.5000110.8I288 C311 L316 Q320 T321 L322 R327 A328 I329 L339I288-I325 HydrophobicContact CD1-CD1 3.45Å; I288-I325 VanDerWaalsContact CD1-CD1 3.45Å; I288-I325 HydrophobicContact CG1-CD1 3.44Å; I288-I325 VanDerWaalsContact CG1-CD1 3.44Å; C311-I325 HydrophobicContact CB-CG2 4.35Å; L316-I325 HydrophobicContact CD1-CD1 3.71Å; L316-I325 HydrophobicContact CD1-CG1 4.47Å; L316-I325 HydrophobicContact CD1-CG2 4.4Å; L316-I325 HydrophobicContact CD2-CD1 4.09Å; L316-I325 HydrophobicContact CD2-CG1 4.06Å; L316-I325 HydrophobicContact CD2-CG2 4.27Å; L316-I325 HydrophobicContact CG-CD1 4.37Å; Q320-I325 HydrophobicContact CB-CD1 4.13Å; Q320-I325 HydrophobicContact CB-CG1 4.17Å; T321-I325 WeakPolarHBondContact O-CD1 3.21Å; T321-I325 WeakPolarHBondContact O-CG1 3.31Å; T321-I325 PolarHBondContact O-N 2.94Å; L322-I325 PolarHBondContact O-N 2.88Å; I325-R327 VanDerWaalsContact C-N 3.25Å; I325-R327 PolarHBondContact O-N 2.71Å; I325-A328 PolarHBondContact O-N 2.96Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 HydrophobicContact CG2-CG1 4.37Å; I325-I329 PolarHBondContact O-N 2.89Å; I325-L339 HydrophobicContact CG2-CD1 4.45Å; I325-L339 HydrophobicContact CG2-CD2 4.4Å
326R89.6Confident89.3Confident128 Ų12883.1 Ų83.148%0.48340%0.4SS..Hα-helixtrans-58.5-37.6175.5-177.7179.2174-168.6-0.7112.1M256 L322 E324 G330 M334M256-R326 HydrophobicContact CE-CB 4.12Å; M256-R326 HydrophobicContact SD-CB 4.37Å; L322-R326 WeakPolarHBondContact O-CB 3.38Å; L322-R326 PolarHBondContact O-N 2.8Å; E324-R326 PolarHBondContact O-N 2.79Å; R326-G330 WeakPolarHBondContact O-CA 3.24Å; R326-G330 PolarHBondContact O-N 2.9Å; R326-G330 VanDerWaalsContact O-N 3.1Å; R326-M334 HydrophobicContact CG-SD 4.31Å
327R90.2Very high88.9Confident198 Ų19885 Ų8575%0.74742%0.424SS*.Hα-helixtrans-72.7-38.2177.3-76.3176.7179.1-1301.7112.8R323 E324 I325R323-R327 WeakPolarHBondContact O-CB 3.41Å; R323-R327 VanDerWaalsContact O-CG 3.31Å; R323-R327 WeakPolarHBondContact O-CG 2.9Å; R323-R327 PolarHBondContact O-N 3.14Å; E324-R327 PolarHBondContact O-N 3.47Å; E324-R327 VanDerWaalsContact O-N 3.13Å; I325-R327 VanDerWaalsContact C-N 3.25Å; I325-R327 PolarHBondContact O-N 2.71Å
328A90.2Very high88.7Confident84 Ų8481.8 Ų81.869%0.69441%0.409SS*.Hα-helixtrans-76.9-45.2-175.300000112.4E324 I325E324-A328 WeakPolarHBondContact O-CB 3.44Å; E324-A328 PolarHBondContact O-N 2.71Å; I325-A328 PolarHBondContact O-N 2.96Å
329I87.7Confident88.6Confident33 Ų3374 Ų7417%0.16938%0.38CS..Hα-helixtrans-86.8-31.5-177.1-54.4176.7000110.9C311 I325 T332 A333C311-I329 HydrophobicContact CB-CD1 3.61Å; C311-I329 VanDerWaalsContact SG-CD1 3.58Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 HydrophobicContact CG2-CG1 4.37Å; I325-I329 PolarHBondContact O-N 2.89Å; I329-T332 VanDerWaalsContact CG2-OG1 3.26Å; I329-T332 WeakPolarHBondContact CG2-OG1 3.26Å; I329-T332 PolarHBondContact O-OG1 3.05Å; I329-T332 VanDerWaalsContact O-OG1 3.04Å; I329-A333 HydrophobicContact CB-CB 3.98Å; I329-A333 HydrophobicContact CG2-CB 3.62Å
330G83.4Confident88.5Confident24 Ų2467.4 Ų67.425%0.24736%0.356CS..G310 helixtrans74.4-147.8178.500000112.9R326 T332 A333R326-G330 WeakPolarHBondContact O-CA 3.24Å; R326-G330 PolarHBondContact O-N 2.9Å; R326-G330 VanDerWaalsContact O-N 3.1Å; G330-T332 PolarHBondContact O-N 3.05Å; G330-A333 PolarHBondContact O-N 3.47Å
331D80Confident88.6Confident146 Ų14665.4 Ų65.478%0.78135%0.346SS*.G310 helixtrans-70.4-17.4-171.4-65.2-34.5000113.8A333 M334D331-A333 PolarHBondContact O-N 2.8Å; D331-M334 PolarHBondContact O-N 2.95Å; D331-M334 VanDerWaalsContact O-N 3.12Å
332T82.9Confident88.6Confident125 Ų12567.1 Ų67.177%0.76735%0.353SS*.G310 helixtrans-66.5-23.4177.353.10000112.8I329 G330 M334I329-T332 VanDerWaalsContact CG2-OG1 3.26Å; I329-T332 WeakPolarHBondContact CG2-OG1 3.26Å; I329-T332 PolarHBondContact O-OG1 3.05Å; I329-T332 VanDerWaalsContact O-OG1 3.04Å; G330-T332 PolarHBondContact O-N 3.05Å; T332-M334 VanDerWaalsContact C-N 3.35Å
333A80.4Confident88.6Confident5 Ų567.2 Ų67.24%0.04135%0.353CS..G310 helixtrans-86.2-5.5176.200000113.8C311 I329 G330 D331 L339 V340C311-A333 WeakPolarHBondContact SG-CB 3.31Å; I329-A333 HydrophobicContact CB-CB 3.98Å; I329-A333 HydrophobicContact CG2-CB 3.62Å; G330-A333 PolarHBondContact O-N 3.47Å; D331-A333 PolarHBondContact O-N 2.8Å; A333-L339 HydrophobicContact CB-CD1 3.62Å; A333-V340 PolarHBondContact O-N 2.79Å
334M85.8Confident88.6Confident43 Ų4362.8 Ų62.821%0.21234%0.342CS..EExtended strand (participates in β ladder)trans-107.4129.9-170.2-62.1-67.4-67.600111.1R326 D331 T332 G337 L338 L339R326-M334 HydrophobicContact CG-SD 4.31Å; D331-M334 PolarHBondContact O-N 2.95Å; D331-M334 VanDerWaalsContact O-N 3.12Å; T332-M334 VanDerWaalsContact C-N 3.35Å; M334-G337 VanDerWaalsContact CE-C 3.49Å; M334-G337 WeakPolarHBondContact CE-O 3.29Å; M334-L338 CarbonylContact C-O 3.6Å; M334-L338 VanDerWaalsContact CA-O 3.31Å; M334-L338 WeakPolarHBondContact CA-O 3.22Å; M334-L339 HydrophobicContact SD-CB 3.96Å; M334-L339 HydrophobicContact SD-CD1 4.1Å
335Q86.5Confident88.5Confident99 Ų9958.1 Ų58.146%0.46332%0.32SS..EExtended strand (participates in β ladder)trans-127.2120.1172-174.3176-3.800109.3G337 L338 V340Q335-G337 PolarHBondContact O-N 3.24Å; Q335-L338 PolarHBondContact N-O 3.06Å; Q335-L338 WeakPolarHBondContact O-CA 3.41Å; Q335-L338 VanDerWaalsContact O-CB 3.28Å; Q335-L338 WeakPolarHBondContact O-CB 3.26Å; Q335-L338 PolarHBondContact O-N 3.04Å; Q335-V340 HydrophobicContact CB-CG2 3.6Å
336D84.8Confident88.1Confident156 Ų15659.8 Ų59.883%0.83433%0.33SS*.THydrogen-bonded Turntrans51.133.5-179.5-58.2-41.1000114
337G84Confident87.2Confident55 Ų5556 Ų5657%0.56732%0.321SS*.THydrogen-bonded Turntrans83.55.9-177.800000115.1M334 Q335M334-G337 VanDerWaalsContact CE-C 3.49Å; M334-G337 WeakPolarHBondContact CE-O 3.29Å; Q335-G337 PolarHBondContact O-N 3.24Å
338L89.8Confident85.9Confident35 Ų3548.9 Ų48.918%0.18330%0.301CS..EExtended strand (participates in β ladder)trans-102.9135.8176.9-53.9171.1000110.7S257 L259 F279 M334 Q335 V340S257-L338 CarbonylContact O-C 3.55Å; S257-L338 WeakPolarHBondContact O-CA 3.33Å; L259-L338 HydrophobicContact CB-CB 4.22Å; L259-L338 HydrophobicContact CB-CD1 4.28Å; F279-L338 HydrophobicContact CD1-CD1 3.69Å; F279-L338 HydrophobicContact CE1-CD1 3.52Å; M334-L338 CarbonylContact C-O 3.6Å; M334-L338 VanDerWaalsContact CA-O 3.31Å; M334-L338 WeakPolarHBondContact CA-O 3.22Å; Q335-L338 PolarHBondContact N-O 3.06Å; Q335-L338 WeakPolarHBondContact O-CA 3.41Å; Q335-L338 VanDerWaalsContact O-CB 3.28Å; Q335-L338 WeakPolarHBondContact O-CB 3.26Å; Q335-L338 PolarHBondContact O-N 3.04Å; L338-V340 PolarHBondContact O-N 2.82Å
339L92.5Very high84.3Confident0 Ų050.1 Ų50.10%030%0.303CS..EExtended strand (participates in β ladder)trans-76.4115.9168.7179.664.8000108.9M256 S257 L258 L259 L322 I325 A333 M334 L341M256-L339 HydrophobicContact SD-CB 4.29Å; M256-L339 HydrophobicContact SD-CD2 3.79Å; S257-L339 PolarHBondContact O-N 3.05Å; L258-L339 WeakPolarHBondContact CA-O 3.33Å; L258-L339 HydrophobicContact CD2-CB 3.83Å; L258-L339 HydrophobicContact CD2-CD2 3.98Å; L258-L339 HydrophobicContact CD2-CG 4.28Å; L259-L339 PolarHBondContact N-O 3.17Å; L322-L339 HydrophobicContact CB-CD2 4.35Å; L322-L339 HydrophobicContact CD2-CD2 3.96Å; I325-L339 HydrophobicContact CG2-CD1 4.45Å; I325-L339 HydrophobicContact CG2-CD2 4.4Å; A333-L339 HydrophobicContact CB-CD1 3.62Å; M334-L339 HydrophobicContact SD-CB 3.96Å; M334-L339 HydrophobicContact SD-CD1 4.1Å; L339-L341 HydrophobicContact CD2-CD2 4.25Å; L339-L341 HydrophobicContact CG-CD2 4.12Å; L339-L341 HydrophobicContact CG-CG 4.38Å; L339-L341 PolarHBondContact O-N 2.63Å
340V94.3Very high82.7Confident15 Ų1556 Ų569%0.09133%0.333CS..EExtended strand (participates in β ladder)trans-86114.8-177.7-171.70000109.5L259 E261 C311 A333 Q335 L338L259-V340 HydrophobicContact CB-CG2 4.43Å; L259-V340 HydrophobicContact CD2-CG1 4.31Å; L259-V340 HydrophobicContact CD2-CG2 4.18Å; E261-V340 HydrophobicContact CG-CG1 4.3Å; C311-V340 PolarHBondContact SG-O 3Å; A333-V340 PolarHBondContact O-N 2.79Å; Q335-V340 HydrophobicContact CB-CG2 3.6Å; L338-V340 PolarHBondContact O-N 2.82Å
341L95.2Very high80.9Confident1 Ų162 Ų621%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-115.9129.1174.2-57.4-179.4000108.9L258 L259 L260 E261 I288 V291 I309 C311 L316 L322 L339L258-L341 HydrophobicContact CD1-CD1 4.26Å; L258-L341 HydrophobicContact CD2-CD1 4.49Å; L259-L341 PolarHBondContact O-N 3.04Å; L259-L341 VanDerWaalsContact O-O 3.11Å; L260-L341 CarbonylContact C-O 3.57Å; L260-L341 WeakPolarHBondContact CA-O 3.5Å; L260-L341 HydrophobicContact CD2-CB 3.99Å; L260-L341 HydrophobicContact CD2-CD1 4.27Å; E261-L341 PolarHBondContact N-O 2.74Å; I288-L341 HydrophobicContact CD1-CD1 4.09Å; V291-L341 HydrophobicContact CG1-CD1 4.45Å; I309-L341 HydrophobicContact CG2-CB 4.12Å; I309-L341 HydrophobicContact CG2-CD1 4.4Å; C311-L341 HydrophobicContact CB-CD2 3.83Å; L316-L341 HydrophobicContact CD1-CD2 3.76Å; L322-L341 HydrophobicContact CD2-CD1 3.84Å; L339-L341 HydrophobicContact CD2-CD2 4.25Å; L339-L341 HydrophobicContact CG-CD2 4.12Å; L339-L341 HydrophobicContact CG-CG 4.38Å; L339-L341 PolarHBondContact O-N 2.63Å
342H94.1Very high78.9Confident51 Ų5162.6 Ų62.624%0.23635%0.354CS..EExtended strand (participates in β ladder)trans-99.1140174-64.382.2000110.1E261 I263 I309 I310E261-H342 CarbonylContact O-C 3.51Å; E261-H342 VanDerWaalsContact O-CA 3.26Å; E261-H342 WeakPolarHBondContact O-CA 3.43Å; E261-H342 IonicContact OE2-CD2 3.51Å; E261-H342 IonicContact OE2-NE2 3.66Å; E261-H342 PolarHBondContact OE2-NE2 2.83Å; I263-H342 HydrophobicContact CD1-CB 3.26Å; I263-H342 HydrophobicContact CG1-CB 3.67Å; I309-H342 CarbonylContact C-O 3.6Å; I309-H342 VanDerWaalsContact CA-O 3.31Å; I309-H342 WeakPolarHBondContact CA-O 3.34Å; I310-H342 PolarHBondContact N-O 3.05Å; I310-H342 PolarHBondContact O-N 3.08Å
343Y93.5Very high76.6Confident3 Ų366.9 Ų66.91%0.01238%0.381CS..EExtended strand (participates in β ladder)trans-126.2141.617669.5-80.1000111.9L260 E261 F262 I263 L275 L295 D308L260-Y343 HydrophobicContact CB-CD1 4.3Å; L260-Y343 HydrophobicContact CB-CE1 4.14Å; E261-Y343 WeakPolarHBondContact O-CD1 3.49Å; E261-Y343 WeakPolarHBondContact O-CE1 3.32Å; E261-Y343 PolarHBondContact O-N 3Å; F262-Y343 HydrophobicContact CB-CE1 4.02Å; F262-Y343 HydrophobicContact CB-CE2 4.22Å; F262-Y343 AromaticContact CD2-CD2 3.85Å; F262-Y343 HydrophobicContact CD2-CD2 3.85Å; F262-Y343 AromaticContact CD2-CE2 3.38Å; F262-Y343 HydrophobicContact CD2-CE2 3.38Å; F262-Y343 AromaticContact CD2-CZ 3.79Å; F262-Y343 HydrophobicContact CE2-CE2 4.14Å; F262-Y343 HydrophobicContact CG-CE2 4.2Å; I263-Y343 PolarHBondContact N-O 3.19Å; L275-Y343 HydrophobicContact CD1-CE1 4.25Å; L275-Y343 WeakPolarHBondContact CG-OH 3.34Å; L275-Y343 PolarHBondContact N-OH 2.8Å; L295-Y343 HydrophobicContact CD1-CD1 4.26Å; L295-Y343 HydrophobicContact CD1-CD2 4.1Å; L295-Y343 HydrophobicContact CD1-CG 3.78Å; L295-Y343 HydrophobicContact CD2-CD1 4.11Å; L295-Y343 HydrophobicContact CD2-CD2 4.04Å; L295-Y343 HydrophobicContact CD2-CE1 4.06Å; L295-Y343 HydrophobicContact CD2-CE2 3.97Å; L295-Y343 HydrophobicContact CD2-CG 4.11Å; D308-Y343 CarbonylContact O-C 3.52Å; D308-Y343 VanDerWaalsContact O-CA 3.24Å; D308-Y343 WeakPolarHBondContact O-CA 3.42Å
344G90.8Very high76.4Confident16 Ų1670 Ų7017%0.16540%0.398CS..EExtended strand (participates in β ladder)trans-125.3156.6174.200000111.1G264 V307 D308G264-G344 WeakPolarHBondContact O-CA 3.46Å; V307-G344 WeakPolarHBondContact CA-O 2.85Å; D308-G344 PolarHBondContact N-O 2.61Å; D308-G344 PolarHBondContact O-N 2.92Å
345L90.1Very high75.9Confident3 Ų371.4 Ų71.42%0.01641%0.407CS..EExtended strand (participates in β ladder)trans-114.2129.1178.8-58177.9000110.5F262 G264 A265 N266 T269 F272 L301 V307F262-L345 HydrophobicContact CE2-CD1 4.06Å; F262-L345 HydrophobicContact CE2-CG 4.03Å; G264-L345 PolarHBondContact O-N 3.49Å; A265-L345 WeakPolarHBondContact CA-O 3.16Å; A265-L345 HydrophobicContact CB-CB 3.79Å; A265-L345 HydrophobicContact CB-CD1 4.4Å; N266-L345 PolarHBondContact N-O 3.41Å; N266-L345 VanDerWaalsContact N-O 3.08Å; T269-L345 HydrophobicContact CG2-CB 4.02Å; F272-L345 HydrophobicContact CB-CD1 3.78Å; F272-L345 HydrophobicContact CD1-CD1 3.94Å; F272-L345 HydrophobicContact CD2-CD1 3.59Å; F272-L345 HydrophobicContact CE1-CD1 4.5Å; F272-L345 HydrophobicContact CE2-CD1 4.23Å; F272-L345 HydrophobicContact CG-CD1 3.45Å; F272-L345 VanDerWaalsContact CG-CD1 3.45Å; L301-L345 HydrophobicContact CD1-CD2 3.5Å; L301-L345 HydrophobicContact CD2-CD1 3.91Å; L301-L345 HydrophobicContact CD2-CD2 4.33Å; V307-L345 HydrophobicContact CB-CD2 4.38Å; V307-L345 HydrophobicContact CG1-CD2 4.32Å; V307-L345 HydrophobicContact CG2-CD2 3.78Å
346V83.7Confident75.3Confident35 Ų3569.9 Ų69.921%0.21240%0.404CS..EExtended strand (participates in β ladder)trans-127.9122.3179.6178.90000108.4Q306Q306-V346 WeakPolarHBondContact CA-O 3.24Å; Q306-V346 HydrophobicContact CB-CB 4.46Å; Q306-V346 WeakPolarHBondContact CB-O 3.39Å; Q306-V346 PolarHBondContact N-O 2.86Å; Q306-V346 PolarHBondContact O-N 2.84Å
347V72.1Confident74.7Confident49 Ų4964.8 Ų64.830%0.29738%0.379SS..EExtended strand (participates in β ladder)trans-79.7122.5167.2-172.50000107.9T269 P349T269-V347 HydrophobicContact CG2-CG2 3.22Å; V347-P349 WeakPolarHBondContact O-CD 3.36Å
348S62.4Low74.1Confident48 Ų4865.4 Ų65.434%0.33637%0.367SS..  trans-67.7124.7170-56.70000108.9L350S348-L350 PolarHBondContact O-N 2.98Å
349P57Low73.1Confident111 Ų11167.5 Ų67.572%0.72138%0.38SS*.SBendtrans-69.315.8-178.826-33.1000114.6V347V347-P349 WeakPolarHBondContact O-CD 3.36Å
350L53.1Low71.7Confident155 Ų15572.3 Ų72.381%0.81241%0.407SS*.  trans-108.725.3-167.2-63.4178.4000114.7S348S348-L350 PolarHBondContact O-N 2.98Å
351K44.9Very low70Confident151 Ų15176.7 Ų76.766%0.65743%0.431SS*.  trans-130.261.1167.6-71.1-176-176.8173.20111.3A304A304-K351 HydrophobicContact CB-CD 4.07Å
352I38.9Very low67.9Low158 Ų15883 Ų8381%0.8147%0.466SS*.  trans-121.382.1159.6-54.6172.5000106
353T33.8Very low65.5Low216 Ų21685.9 Ų85.9100%1.32549%0.487SS*.  trans-170.30155.332.50000109

Retrieved 353 of 353 residues in 564.2 ms (Link to these results)