A0A087Y0Y9_POEFO Loading...

Protein kinase, AMP-activated, beta 1 non-catalytic subunit, a

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A087Y0Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 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
1M36.9Very low32.7Very low254 Ų254149 Ų149100%1.25186%0.863SS**  0129.10-66.3-177.1-146.800107.5
2G38.2Very low32.2Very low78 Ų78142.3 Ų142.380%0.80485%0.851SS**  trans95.771.8164.500000116.9
3N28.8Very low31.9Very low151 Ų151147.2 Ų147.281%0.80786%0.859SS**  trans-66.9155.5154.7-67.1-2.6000110
4T37.8Very low31.6Very low149 Ų149141.9 Ų141.991%0.91485%0.85SS**  -156.1140.9111.349.30000111.4
5S35.7Very low31.6Very low110 Ų110144.9 Ų144.977%0.76985%0.852SS**  trans-112.5157.2-177.642.50000109.5
6S33.7Very low31.6Very low123 Ų123148.8 Ų148.886%0.8686%0.855SS**  trans-164.4131.2137.1-161.10000112.4
7E30.7Very low31.5Very low169 Ų169146.4 Ų146.479%0.7986%0.857SS**  trans-102.5169172.5-74.5-17511000111.9
8R31Very low31.7Very low232 Ų232149.1 Ų149.188%0.87586%0.86SS**  trans77.5145.5147.7-95.3176171.8176.3-1.5118.3
9A29.4Very low31.6Very low87 Ų87154.7 Ų154.772%0.71987%0.866SS**  cis-164.5142.210.100000107.4
10A28.9Very low31.5Very low89 Ų89158 Ų15874%0.73686%0.864SS**  109.8148.783.500000115
11M28.4Very low31.4Very low197 Ų197156.6 Ų156.697%0.9786%0.856SS**  trans84.9130.8167.2-49.9-163.8176.200117.1
12G27.2Very low31.2Very low69 Ų69148.8 Ų148.871%0.71183%0.826SS**  cis175.91651.400000112.3
13H27.6Very low30.9Very low206 Ų206157.2 Ų157.295%0.95483%0.834SS**  trans64.5128.9157.1-87.2-79.3000123.4
14G28.6Very low30.8Very low72 Ų72153.4 Ų153.474%0.74283%0.83SS**  trans15773.8156.500000118
15E31Very low30.5Very low187 Ų187154 Ų15487%0.87483%0.826SS**  trans18.4115.9152.5-59.8-178.8124.700121.5
16K30.9Very low30.2Very low208 Ų208156.5 Ų156.590%0.90482%0.823SS**  54.611487.5-88.8-169.4-179176.10117.1
17A30.6Very low29.9Very low108 Ų108158 Ų15889%0.89382%0.816SS**  -165.5110122.600000111.6
18Q35.3Very low29.9Very low195 Ų195153.6 Ų153.691%0.91182%0.816SS**  trans-134.3124.7159.6-152.1-176.611.300104.9
19R28.9Very low29.9Very low255 Ų255151.9 Ų151.996%0.96282%0.818SS**  trans-156.3141158-113.7176.9-170.6-175.11.5111.4
20R29.9Very low30.3Very low220 Ų220158.7 Ų158.783%0.8383%0.825SS**  trans-107175.1-169.2-146.2-169.9-159-151.15.4109.4
21D29.8Very low30.7Very low129 Ų129160.6 Ų160.669%0.6983%0.83SS**  trans96.4144.3157-62.6-36.3000117.6
22S32.2Very low31.1Very low91 Ų91160.5 Ų160.564%0.63682%0.824SS**  cis171.3149.6-17.4-90.50000106.2
23R32Very low32Very low255 Ų255165.3 Ų165.396%0.96283%0.832SS**  trans120.3130.9146.1-65.8-178.5177-178.7-1.2120.4
24G27.8Very low32.4Very low71 Ų71163.2 Ų163.273%0.73283%0.827SS**  trans118.284.8142.700000117.2
25I30.1Very low33.3Very low161 Ų161167.9 Ų167.983%0.82683%0.831SS**  68.7122.985.5-50.1178.7000117.9
26K30.8Very low33.5Very low163 Ų163165.7 Ų165.771%0.70983%0.826SS**  trans129.7141.3138.9-76.1-163170.9-1220112.9
27E27.6Very low33.7Very low154 Ų154161.4 Ų161.472%0.7282%0.822SS**  cis-174.1151.1-2.5-120.4168.3-162.500107.4
28G29.2Very low34.6Very low76 Ų76162.3 Ų162.378%0.78482%0.819SS**  trans72.8143.5159.600000117.4
29E31.2Very low34.9Very low196 Ų196161.3 Ų161.392%0.91681%0.814SS**  cis-154.3166.210.7-80.7-17212700109.3
30R38.4Very low35.5Very low230 Ų230156.4 Ų156.487%0.86881%0.807SS**  trans-51.8146-177.6-58.5167.8177.3178.2-2.2114.4K32R30-K32 PolarHBondContact O-N 2.89Å
31P37Very low36Very low129 Ų129150.4 Ų150.484%0.83880%0.804SS**  trans-76.5114.7159.229.7-27.3000109.4
32K36.3Very low36.7Very low196 Ų196151 Ų15185%0.85281%0.807SS**  trans-70.7121.6165.6-74.7175.3-179.7173.30107.9R30 L34R30-K32 PolarHBondContact O-N 2.89Å; K32-L34 PolarHBondContact O-N 3.15Å
33I46.2Very low37.2Very low170 Ų170152.8 Ų152.887%0.87281%0.808SS**  trans-69.5108.8163.3-60.8167000105.6
34L36.4Very low37.2Very low161 Ų161150.3 Ų150.384%0.84381%0.805SS**  trans-124103.1166.2-164.977.8000107.3K32K32-L34 PolarHBondContact O-N 3.15Å
35M46.9Very low37.8Very low170 Ų170155 Ų15584%0.83781%0.808SS**  trans-93.3108.5165.8-176.7152144.700105.3
36D35.6Very low38.6Very low142 Ų142151 Ų15176%0.75981%0.806SS**  trans175.7106.9152.4-98.4-15.4000110
37S35.7Very low38.6Very low117 Ų117152 Ų15282%0.81881%0.813SS**  trans-173.5123.3135-80.50000109.6E39S37-E39 PolarHBondContact O-N 3.02Å
38P49.2Very low39.1Very low127 Ų127152.4 Ų152.483%0.82582%0.82SS**  trans-98.363.5-177.538.8-31.8000110.8
39E41.9Very low39.7Very low175 Ų175157.7 Ų157.782%0.81883%0.827SS**  trans-145.981.1178.4-64.2-171.5-173.500109.8S37S37-E39 PolarHBondContact O-N 3.02Å
40D40.8Very low39.9Very low152 Ų152156.9 Ų156.981%0.81382%0.82SS**  trans-157.434.6162-112.9-9.2000111.3D42D40-D42 PolarHBondContact O-N 3.1Å
41A41.7Very low40.5Very low93 Ų93150.6 Ų150.677%0.76982%0.817SS**  trans-90.181.3169.900000108.2
42D44.8Very low41Very low142 Ų142145.9 Ų145.976%0.75979%0.787SS**  trans-178.746.3158-89.6-21.7000114.1D40D40-D42 PolarHBondContact O-N 3.1Å
43I42.6Very low41.6Very low128 Ų128142.1 Ų142.166%0.65678%0.775SS**SBendtrans-130.915.9175.9-63.4-178.4000114.4
44F32Very low41.7Very low204 Ų204136.7 Ų136.790%0.89576%0.761SS**  trans-138.981.5165.1-71.8-78.8000110.9G46F44-G46 PolarHBondContact O-N 3.48Å
45H39.4Very low42.4Very low170 Ų170136.9 Ų136.979%0.78776%0.755SS**  trans-59.8122.4157.7-73.5-65.5000108.4E47H45-E47 PolarHBondContact O-N 2.87Å; H45-E47 VanDerWaalsContact O-N 3.08Å
46G46.2Very low42.6Very low77 Ų77134 Ų13479%0.79474%0.74SS**  trans-62.2107.5171.100000109.7F44F44-G46 PolarHBondContact O-N 3.48Å
47E31.5Very low43.4Very low182 Ų182132.6 Ų132.685%0.8573%0.729SS**  trans-79.7116.3148.3-75.7-171.9133.200106.8H45 M49H45-E47 PolarHBondContact O-N 2.87Å; H45-E47 VanDerWaalsContact O-N 3.08Å; E47-M49 PolarHBondContact O-N 3.06Å
48D39.1Very low43.9Very low163 Ų163134.3 Ų134.387%0.87272%0.722SS**  trans-49.6100.4166.2-79.5-58.7000109.2K50D48-K50 PolarHBondContact O-N 2.81Å
49M40.6Very low44.1Very low187 Ų187133.1 Ų133.192%0.92171%0.708SS**  trans-70.185.9164.8-76.6-142.7141.400107.9E47 A51E47-M49 PolarHBondContact O-N 3.06Å; M49-A51 PolarHBondContact O-N 3.01Å
50K36.7Very low44.7Very low180 Ų180126.6 Ų126.678%0.78368%0.684SS**  trans-49.498.8166.1-154.3-165.2-177.7-176.40108.3D48 P52D48-K50 PolarHBondContact O-N 2.81Å; K50-P52 HydrophobicContact CD-CG 4.5Å; K50-P52 HydrophobicContact CG-CG 4.39Å; K50-P52 WeakPolarHBondContact O-CD 3.36Å
51A50.4Low45.6Very low97 Ų97128.4 Ų128.480%0.80268%0.679SS**  trans-64.7113.7151.200000105.7M49M49-A51 PolarHBondContact O-N 3.01Å
52P48.1Very low46.1Very low30 Ų30128.2 Ų128.220%0.19566%0.663CS.*  -148.78.1116.529.7-6.2000115.4K50 G54 K55 E56K50-P52 HydrophobicContact CD-CG 4.5Å; K50-P52 HydrophobicContact CG-CG 4.39Å; K50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-G54 PolarHBondContact O-N 2.85Å; P52-K55 PolarHBondContact O-N 3.11Å; P52-E56 HydrophobicContact CB-CG 4.09Å; P52-E56 VanDerWaalsContact O-CB 3.31Å; P52-E56 WeakPolarHBondContact O-CB 3.48Å; P52-E56 WeakPolarHBondContact O-CG 3.34Å; P52-E56 PolarHBondContact O-N 2.83Å
53L48.8Very low46.4Very low117 Ų117127.7 Ų127.761%0.61366%0.656SS**Hα-helixtrans-61.7-41-173.3-114.891.5000113.5K55 E56 E57L53-K55 PolarHBondContact O-N 3.34Å; L53-E56 PolarHBondContact O-N 2.8Å; L53-E57 VanDerWaalsContact O-CB 3.23Å; L53-E57 WeakPolarHBondContact O-CB 3.36Å; L53-E57 VanDerWaalsContact O-CG 3.27Å; L53-E57 WeakPolarHBondContact O-CG 3.38Å; L53-E57 PolarHBondContact O-N 3Å
54G47.1Very low46.5Very low56 Ų56126.9 Ų126.958%0.57765%0.653SS**Hα-helixtrans-73.4-25.7-179.200000114.4P52 F58P52-G54 PolarHBondContact O-N 2.85Å; G54-F58 WeakPolarHBondContact O-CB 3.23Å; G54-F58 PolarHBondContact O-N 3.38Å
55K50.7Low47.5Very low165 Ų165123.8 Ų123.872%0.71765%0.645SS**Hα-helixtrans-81.7-39.7172.8-82.9-174175.9-1790110.8P52 L53 F58 L59P52-K55 PolarHBondContact O-N 3.11Å; L53-K55 PolarHBondContact O-N 3.34Å; K55-F58 PolarHBondContact O-N 2.85Å; K55-L59 VanDerWaalsContact O-CB 3.22Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.41Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 2.88Å
56E51.5Low48.1Very low109 Ų109121.7 Ų121.751%0.50964%0.635SS.*Hα-helixtrans-67.3-38.8175.3-76.3167.916800111.4P52 L53 A60P52-E56 HydrophobicContact CB-CG 4.09Å; P52-E56 VanDerWaalsContact O-CB 3.31Å; P52-E56 WeakPolarHBondContact O-CB 3.48Å; P52-E56 WeakPolarHBondContact O-CG 3.34Å; P52-E56 PolarHBondContact O-N 2.83Å; L53-E56 PolarHBondContact O-N 2.8Å; E56-A60 WeakPolarHBondContact O-CA 3.48Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.91Å
57E52.5Low48.1Very low114 Ų114121.1 Ų121.153%0.53362%0.623SS.*Hα-helixtrans-68.6-40.9172.7-76.8179.516800111.7L53 A60 W61L53-E57 VanDerWaalsContact O-CB 3.23Å; L53-E57 WeakPolarHBondContact O-CB 3.36Å; L53-E57 VanDerWaalsContact O-CG 3.27Å; L53-E57 WeakPolarHBondContact O-CG 3.38Å; L53-E57 PolarHBondContact O-N 3Å; E57-A60 PolarHBondContact O-N 3.4Å; E57-W61 PolarHBondContact O-N 2.83Å
58F46.5Very low48.7Very low152 Ų152119.8 Ų119.867%0.66762%0.622SS**Hα-helixtrans-65-40.2175.2-170.3-92.2000111.9G54 K55 Q62G54-F58 WeakPolarHBondContact O-CB 3.23Å; G54-F58 PolarHBondContact O-N 3.38Å; K55-F58 PolarHBondContact O-N 2.85Å; F58-Q62 WeakPolarHBondContact O-CB 3.49Å; F58-Q62 PolarHBondContact O-N 3.48Å; F58-Q62 VanDerWaalsContact O-N 3.12Å
59L53.7Low49.3Very low102 Ų102117.4 Ų117.453%0.53461%0.609SS.*Hα-helixtrans-70.2-33.9172.9-71.3168.1000112K55 Q62 Q63K55-L59 VanDerWaalsContact O-CB 3.22Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.41Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 2.88Å; L59-Q62 PolarHBondContact O-N 3.2Å; L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 PolarHBondContact O-N 3.47Å
60A53.6Low49.9Very low38 Ų38118.2 Ų118.231%0.31461%0.607SS.*Hα-helixtrans-71.1-39.7177.600000111.5E56 E57 Q62 Q63 D64E56-A60 WeakPolarHBondContact O-CA 3.48Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.91Å; E57-A60 PolarHBondContact O-N 3.4Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q63 CarbonylContact O-C 3.54Å; A60-Q63 PolarHBondContact O-N 3.47Å; A60-D64 VanDerWaalsContact O-CB 3.28Å; A60-D64 WeakPolarHBondContact O-CB 3.39Å; A60-D64 VanDerWaalsContact O-CG 3.24Å; A60-D64 PolarHBondContact O-N 2.84Å
61W59.2Low50.6Low190 Ų190111.2 Ų111.272%0.7259%0.587SS**Hα-helixtrans-64.7-38.9171.4-85.868.9000112.1E57 Q63 L65E57-W61 PolarHBondContact O-N 2.83Å; W61-Q63 VanDerWaalsContact C-N 3.35Å; W61-L65 WeakPolarHBondContact O-CB 3.42Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.03Å
62Q53.3Low50.9Low89 Ų89114.1 Ų114.142%0.41659%0.588SS.*Hα-helixtrans-65.2-41.5174-167.7176.2-6.700111F58 L59 A60 L65 E66F58-Q62 WeakPolarHBondContact O-CB 3.49Å; F58-Q62 PolarHBondContact O-N 3.48Å; F58-Q62 VanDerWaalsContact O-N 3.12Å; L59-Q62 PolarHBondContact O-N 3.2Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-L65 PolarHBondContact O-N 2.98Å; Q62-E66 PolarHBondContact NE2-OE1 2.92Å; Q62-E66 WeakPolarHBondContact O-CB 3.24Å; Q62-E66 WeakPolarHBondContact O-CG 3.22Å; Q62-E66 PolarHBondContact O-N 3.28Å
63Q50.3Low51.9Low131 Ų131116.4 Ų116.461%0.61261%0.609SS**Hα-helixtrans-71.5-33.1178-165.9164.439.300112.6L59 A60 W61 E66 A67L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 PolarHBondContact O-N 3.47Å; A60-Q63 CarbonylContact O-C 3.54Å; A60-Q63 PolarHBondContact O-N 3.47Å; W61-Q63 VanDerWaalsContact C-N 3.35Å; Q63-E66 CarbonylContact O-C 3.59Å; Q63-E66 PolarHBondContact O-N 3.42Å; Q63-A67 WeakPolarHBondContact O-CA 3.43Å; Q63-A67 WeakPolarHBondContact O-CB 3.42Å; Q63-A67 PolarHBondContact O-N 2.87Å
64D45.8Very low53.5Low112 Ų112115.4 Ų115.460%0.59961%0.608SS**Hα-helixtrans-74.5-33.1175.1-75.9-17.9000111.7A60 E66A60-D64 VanDerWaalsContact O-CB 3.28Å; A60-D64 WeakPolarHBondContact O-CB 3.39Å; A60-D64 VanDerWaalsContact O-CG 3.24Å; A60-D64 PolarHBondContact O-N 2.84Å; D64-E66 VanDerWaalsContact C-N 3.33Å
65L51.8Low55.6Low138 Ų138117 Ų11772%0.72360%0.603SS**Hα-helixtrans-67.7-33.1167.6-78.7165000112.1W61 Q62W61-L65 WeakPolarHBondContact O-CB 3.42Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.03Å; Q62-L65 PolarHBondContact O-N 2.98Å
66E52.4Low57.5Low126 Ų126112 Ų11259%0.58958%0.58SS**Hα-helixtrans-85.7-19.5177.6-72171.1-172.300113.4Q62 Q63 D64Q62-E66 PolarHBondContact NE2-OE1 2.92Å; Q62-E66 WeakPolarHBondContact O-CB 3.24Å; Q62-E66 WeakPolarHBondContact O-CG 3.22Å; Q62-E66 PolarHBondContact O-N 3.28Å; Q63-E66 CarbonylContact O-C 3.59Å; Q63-E66 PolarHBondContact O-N 3.42Å; D64-E66 VanDerWaalsContact C-N 3.33Å
67A47.2Very low59.6Low65 Ų65110.5 Ų110.554%0.53758%0.579SS.*Hα-helixtrans-91.2-19.7-174.900000114.3Q63 D69Q63-A67 WeakPolarHBondContact O-CA 3.43Å; Q63-A67 WeakPolarHBondContact O-CB 3.42Å; Q63-A67 PolarHBondContact O-N 2.87Å; A67-D69 VanDerWaalsContact C-N 3.34Å
68D44.1Very low61.7Low154 Ų154105.5 Ų105.582%0.82456%0.557SS**SBendtrans-85.3-9.4174.4-153.433.5000112.8K70D68-K70 PolarHBondContact O-N 2.81Å
69D51.8Low64.1Low113 Ų113102.6 Ų102.660%0.60455%0.551SS**  trans-90.675.1166.8-161.644.5000109.8A67 G71A67-D69 VanDerWaalsContact C-N 3.34Å; D69-G71 PolarHBondContact O-N 2.85Å; D69-G71 WeakPolarHBondContact OD1-CA 3.27Å; D69-G71 PolarHBondContact OD1-N 2.98Å
70K52.5Low66.2Low204 Ų20497.9 Ų97.989%0.88753%0.526SS*.  trans-68.861.7144.4-73.5-151.6178.7-170.30108D68 L72D68-K70 PolarHBondContact O-N 2.81Å; K70-L72 PolarHBondContact O-N 2.87Å
71G52Low68.3Low34 Ų34103.3 Ų103.335%0.35154%0.538SS..  trans-67.2122.5-169.300000109.3D69 A73D69-G71 PolarHBondContact O-N 2.85Å; D69-G71 WeakPolarHBondContact OD1-CA 3.27Å; D69-G71 PolarHBondContact OD1-N 2.98Å; G71-A73 PolarHBondContact O-N 3.12Å
72L57.2Low70.1Confident158 Ų15895.2 Ų95.283%0.82751%0.508SS*.  trans-41.9135.4153.3-65.6165.2000107.3K70 V74K70-L72 PolarHBondContact O-N 2.87Å; L72-V74 WeakPolarHBondContact O-CG2 3.49Å; L72-V74 PolarHBondContact O-N 3.42Å
73A67.1Low72.1Confident78 Ų7894.5 Ų94.565%0.64551%0.51SS*.  trans-49.5107.117600000108.3G71 D75 P118G71-A73 PolarHBondContact O-N 3.12Å; A73-D75 PolarHBondContact O-N 2.94Å; A73-P118 HydrophobicContact CB-CB 3.91Å
74V83.4Confident74.1Confident95 Ų9589.5 Ų89.558%0.57649%0.493SS*.  trans-78.7114.8-178.1178.50000105.6L72 R76L72-V74 WeakPolarHBondContact O-CG2 3.49Å; L72-V74 PolarHBondContact O-N 3.42Å; V74-R76 WeakPolarHBondContact O-CG 3.09Å
75D91.3Very high76.3Confident90 Ų9091.3 Ų91.348%0.48150%0.503SS..  trans-67.4135.4173.1-62.9-21.1000108.9A73 D116 P118A73-D75 PolarHBondContact O-N 2.94Å; D75-D116 HydrophobicContact CB-CB 3.71Å; D75-P118 WeakPolarHBondContact OD1-CB 3.49Å; D75-P118 VanDerWaalsContact OD1-CD 3.25Å; D75-P118 WeakPolarHBondContact OD1-CD 3.49Å
76R90.6Very high78.2Confident61 Ų6185.1 Ų85.123%0.2347%0.473CS..EExtended strand (participates in β ladder)trans-126.3141.8-174.2-51.3-174.4175.9-161.2-2.7111.2V74 T78 D116 L117 K156 F159V74-R76 WeakPolarHBondContact O-CG 3.09Å; R76-T78 PolarHBondContact O-N 2.85Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 2.81Å; R76-D116 WeakPolarHBondContact O-CA 3.48Å; R76-L117 PolarHBondContact N-O 2.94Å; R76-L117 PolarHBondContact O-N 2.89Å; R76-K156 PolarHBondContact NH1-O 2.91Å; R76-F159 HydrophobicContact CB-CD1 3.81Å; R76-F159 HydrophobicContact CB-CD2 4.37Å; R76-F159 HydrophobicContact CB-CE1 3.22Å; R76-F159 HydrophobicContact CB-CE2 3.82Å; R76-F159 HydrophobicContact CB-CG 4.35Å; R76-F159 HydrophobicContact CB-CZ 3.2Å; R76-F159 HydrophobicContact CG-CD1 4.45Å; R76-F159 HydrophobicContact CG-CD2 4.46Å; R76-F159 HydrophobicContact CG-CE1 4.22Å; R76-F159 HydrophobicContact CG-CE2 4.18Å; R76-F159 HydrophobicContact CG-CZ 4.06Å
77P96Very high80.1Confident76 Ų7687.4 Ų87.449%0.49448%0.481SS..EExtended strand (participates in β ladder)trans-66.1116.6-171.425.2-34.7000111.4I114 D116P77-I114 HydrophobicContact CB-CG2 3.76Å; P77-D116 WeakPolarHBondContact CA-OD1 3.45Å; P77-D116 WeakPolarHBondContact CB-OD1 3.42Å
78T96.8Very high82.4Confident10 Ų1090 Ų906%0.06148%0.482CS..EExtended strand (participates in β ladder)trans-116128.4-179.7-560000109.8R76 F80 I114 V115 L117 I152 V154R76-T78 PolarHBondContact O-N 2.85Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 2.81Å; T78-F80 HydrophobicContact CG2-CE2 3.96Å; T78-F80 HydrophobicContact CG2-CZ 4.19Å; T78-I114 WeakPolarHBondContact O-CA 3.34Å; T78-V115 WeakPolarHBondContact CB-O 3.32Å; T78-V115 PolarHBondContact N-O 2.55Å; T78-V115 PolarHBondContact O-N 2.82Å; T78-L117 HydrophobicContact CG2-CD1 4.16Å; T78-I152 HydrophobicContact CG2-CD1 3.6Å; T78-V154 HydrophobicContact CG2-CG2 4.22Å
79V96.9Very high84.9Confident90 Ų9082.9 Ų82.955%0.54544%0.444SS..EExtended strand (participates in β ladder)trans-90.3122.7-176.3-1760000110.2V112 I114V79-V112 HydrophobicContact CG1-CG1 3.83Å; V79-I114 HydrophobicContact CG2-CG1 4.32Å
80F97.5Very high87.1Confident4 Ų480.7 Ų80.72%0.01843%0.428CS..EExtended strand (participates in β ladder)trans-105.3124.4168.9-67.9-88.5000109.3T78 L91 F95 V112 A113 V115 L117 Y124 I152T78-F80 HydrophobicContact CG2-CE2 3.96Å; T78-F80 HydrophobicContact CG2-CZ 4.19Å; F80-L91 HydrophobicContact CB-CD2 3.72Å; F80-L91 HydrophobicContact CD1-CD1 3.99Å; F80-L91 HydrophobicContact CD1-CD2 3.98Å; F80-L91 HydrophobicContact CD2-CD2 3.62Å; F80-L91 HydrophobicContact CE2-CD2 4.24Å; F80-L91 HydrophobicContact CG-CD1 4.27Å; F80-L91 HydrophobicContact CG-CD2 3.47Å; F80-L91 VanDerWaalsContact CG-CD2 3.47Å; F80-F95 HydrophobicContact CZ-CE1 4.11Å; F80-V112 WeakPolarHBondContact O-CA 3.45Å; F80-A113 PolarHBondContact N-O 2.76Å; F80-A113 PolarHBondContact O-N 2.83Å; F80-V115 HydrophobicContact CD2-CB 4.27Å; F80-V115 HydrophobicContact CD2-CG2 4.1Å; F80-V115 HydrophobicContact CE2-CB 4.07Å; F80-V115 HydrophobicContact CE2-CG2 4.31Å; F80-L117 HydrophobicContact CE2-CD1 3.78Å; F80-L117 HydrophobicContact CZ-CD1 3.67Å; F80-Y124 HydrophobicContact CD1-CD1 4.35Å; F80-Y124 AromaticContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CE1 4.37Å; F80-Y124 AromaticContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CG 4.03Å; F80-Y124 AromaticContact CE1-CD1 3.62Å; F80-Y124 HydrophobicContact CE1-CD1 3.62Å; F80-Y124 AromaticContact CE1-CD2 3.8Å; F80-Y124 HydrophobicContact CE1-CD2 3.8Å; F80-Y124 AromaticContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 4.01Å; F80-Y124 AromaticContact CE1-CG 3.58Å; F80-Y124 HydrophobicContact CE1-CG 3.58Å; F80-I152 HydrophobicContact CE1-CG2 4.11Å; F80-I152 HydrophobicContact CZ-CG2 4.06Å
81R96.9Very high89.3Confident151 Ų15171 Ų7157%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-124.6133.6-179.5-177.4172.363.5-175.4-1.5110.1T83 F111 V112R81-T83 HydrophobicContact CG-CG2 4.04Å; R81-F111 CarbonylContact C-O 3.55Å; R81-F111 WeakPolarHBondContact CA-O 3.34Å; R81-V112 HydrophobicContact CB-CG2 4.47Å; R81-V112 HydrophobicContact CG-CG2 4.15Å
82W97.1Very high91.5Very high20 Ų2069.4 Ų69.48%0.07637%0.369CS..EExtended strand (participates in β ladder)trans-113.3122.2168.3174.6-99.2000108.8G84 D85 V89 L104 T110 F111 F126 V128 T133 D135W82-G84 VanDerWaalsContact NE1-C 3.31Å; W82-G84 PolarHBondContact NE1-O 2.98Å; W82-G84 VanDerWaalsContact NE1-O 3.11Å; W82-D85 PolarHBondContact NE1-O 3.44Å; W82-V89 HydrophobicContact CB-CG1 4.17Å; W82-V89 HydrophobicContact CG-CG1 4.12Å; W82-L104 HydrophobicContact CB-CD2 4.19Å; W82-T110 WeakPolarHBondContact O-CA 3.21Å; W82-F111 HydrophobicContact CB-CB 4.11Å; W82-F111 AromaticContact CD1-CD2 3.94Å; W82-F111 PolarHBondContact N-O 2.95Å; W82-F111 PolarHBondContact O-N 2.89Å; W82-F126 HydrophobicContact CB-CD1 4.14Å; W82-F126 HydrophobicContact CB-CE1 3.94Å; W82-F126 HydrophobicContact CB-CZ 4.21Å; W82-F126 HydrophobicContact CD2-CD2 4.43Å; W82-F126 HydrophobicContact CD2-CG 4.34Å; W82-F126 HydrophobicContact CE3-CB 4.18Å; W82-F126 HydrophobicContact CE3-CD1 4.38Å; W82-F126 AromaticContact CE3-CD2 3.45Å; W82-F126 HydrophobicContact CE3-CD2 3.45Å; W82-F126 VanDerWaalsContact CE3-CD2 3.45Å; W82-F126 AromaticContact CE3-CE2 3.83Å; W82-F126 HydrophobicContact CE3-CE2 3.83Å; W82-F126 AromaticContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CZ 4.44Å; W82-F126 HydrophobicContact CZ3-CB 4.44Å; W82-F126 AromaticContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CE2 4.47Å; W82-F126 HydrophobicContact CZ3-CG 4.33Å; W82-V128 HydrophobicContact CD2-CG2 4.31Å; W82-V128 HydrophobicContact CZ2-CG2 3.94Å; W82-T133 HydrophobicContact CH2-CG2 3.45Å; W82-T133 VanDerWaalsContact CH2-CG2 3.45Å; W82-T133 HydrophobicContact CZ2-CG2 3.88Å; W82-T133 HydrophobicContact CZ3-CG2 3.98Å; W82-D135 HydrophobicContact CE3-CB 4.36Å; W82-D135 HydrophobicContact CZ3-CB 4.18Å
83T95.5Very high93.3Very high75 Ų7561.9 Ų61.946%0.4633%0.33SS..  trans-103.9-6.2-178.160.50000113.2R81 T110R81-T83 HydrophobicContact CG-CG2 4.04Å; T83-T110 HydrophobicContact CG2-CG2 4.21Å
84G92.3Very high94.7Very high26 Ų2660 Ų6027%0.26831%0.312SS..SBendtrans-74.8171.4175.700000113.1W82W82-G84 VanDerWaalsContact NE1-C 3.31Å; W82-G84 PolarHBondContact NE1-O 2.98Å; W82-G84 VanDerWaalsContact NE1-O 3.11Å
85D91.7Very high95.2Very high149 Ų14957.9 Ų57.980%0.79730%0.295SS*.  trans-69.5156.8173.8-68.5-46.9000111.9W82 V128W82-D85 PolarHBondContact NE1-O 3.44Å; D85-V128 WeakPolarHBondContact O-CG1 3.33Å
86G91.7Very high95.3Very high9 Ų955 Ų559%0.09328%0.28CS..  trans164.7157.1178.300000111.2R106 F111 D129G86-R106 PolarHBondContact O-NH1 3.35Å; G86-F111 VanDerWaalsContact O-CZ 3.24Å; G86-F111 WeakPolarHBondContact O-CZ 3.27Å; G86-D129 WeakPolarHBondContact CA-OD2 2.91Å
87K92.7Very high95.5Very high173 Ų17358.7 Ų58.775%0.75230%0.304SS*.SBendtrans-96.8-48.8168.9-63.6178.1-178.1174.90110.6D129K87-D129 WeakPolarHBondContact CA-OD1 3.33Å; K87-D129 WeakPolarHBondContact CB-OD1 3.45Å; K87-D129 PolarHBondContact N-OD1 3.09Å; K87-D129 PolarHBondContact N-OD2 3.07Å; K87-D129 VanDerWaalsContact N-OD2 3.1Å
88E95.1Very high95.4Very high120 Ų12060 Ų6056%0.56130%0.299SS*.SBendtrans-122.2120.5179.3-63.3-177.1156.700109.3Y90 V128 D129E88-Y90 HydrophobicContact CB-CE2 3.91Å; E88-V128 WeakPolarHBondContact O-CA 3.49Å; E88-D129 PolarHBondContact N-OD1 3.09Å; E88-D129 PolarHBondContact O-N 3.29Å
89V97.8Very high95.1Very high5 Ų563 Ų633%0.0333%0.325CS..EExtended strand (participates in β ladder)trans-122.9130.4-178.4-177.20000108.8W82 L104 F111 F126 Y127 V128W82-V89 HydrophobicContact CB-CG1 4.17Å; W82-V89 HydrophobicContact CG-CG1 4.12Å; V89-L104 HydrophobicContact CB-CB 4.28Å; V89-L104 HydrophobicContact CG1-CB 4.32Å; V89-L104 HydrophobicContact CG1-CD2 3.86Å; V89-L104 HydrophobicContact CG1-CG 4.47Å; V89-L104 PolarHBondContact O-N 3.22Å; V89-F111 HydrophobicContact CB-CB 4.16Å; V89-F111 HydrophobicContact CB-CD1 3.75Å; V89-F111 HydrophobicContact CB-CD2 4.48Å; V89-F111 HydrophobicContact CB-CE1 4.14Å; V89-F111 HydrophobicContact CB-CG 3.91Å; V89-F111 HydrophobicContact CG1-CB 4.33Å; V89-F111 HydrophobicContact CG2-CB 4.28Å; V89-F111 HydrophobicContact CG2-CD1 3.66Å; V89-F111 HydrophobicContact CG2-CD2 3.72Å; V89-F111 HydrophobicContact CG2-CE1 3.7Å; V89-F111 HydrophobicContact CG2-CE2 3.77Å; V89-F111 HydrophobicContact CG2-CG 3.64Å; V89-F111 HydrophobicContact CG2-CZ 3.74Å; V89-F126 HydrophobicContact CG1-CD1 4.1Å; V89-Y127 WeakPolarHBondContact CA-O 3.38Å; V89-V128 HydrophobicContact CG1-CG2 4.04Å; V89-V128 HydrophobicContact CG2-CG1 4.23Å; V89-V128 HydrophobicContact CG2-CG2 4.15Å
90Y98Very high94.9Very high66 Ų6664.2 Ų64.226%0.25933%0.329SS..EExtended strand (participates in β ladder)trans-126.6156.7174.8-52.9-99.8000111.3E88 K101 I102 P103 F126 Y127E88-Y90 HydrophobicContact CB-CE2 3.91Å; Y90-K101 HydrophobicContact CD1-CB 3.89Å; Y90-K101 HydrophobicContact CG-CB 4.03Å; Y90-K101 HydrophobicContact CG-CD 4.49Å; Y90-I102 CarbonylContact C-O 3.48Å; Y90-I102 WeakPolarHBondContact CA-O 3.46Å; Y90-P103 HydrophobicContact CD1-CB 3.95Å; Y90-P103 HydrophobicContact CE1-CB 3.92Å; Y90-F126 CarbonylContact O-C 3.57Å; Y90-F126 WeakPolarHBondContact O-CA 3.17Å; Y90-Y127 HydrophobicContact CD2-CD1 4.02Å; Y90-Y127 PolarHBondContact N-O 2.83Å; Y90-Y127 PolarHBondContact O-N 3.39Å
91L98.1Very high94.9Very high0 Ų068 Ų680%035%0.345CS..EExtended strand (participates in β ladder)trans-117.3140.1176.8174.472.3000110.3F80 F95 I102 L104 V115 Y124 F126F80-L91 HydrophobicContact CB-CD2 3.72Å; F80-L91 HydrophobicContact CD1-CD1 3.99Å; F80-L91 HydrophobicContact CD1-CD2 3.98Å; F80-L91 HydrophobicContact CD2-CD2 3.62Å; F80-L91 HydrophobicContact CE2-CD2 4.24Å; F80-L91 HydrophobicContact CG-CD1 4.27Å; F80-L91 HydrophobicContact CG-CD2 3.47Å; F80-L91 VanDerWaalsContact CG-CD2 3.47Å; L91-F95 HydrophobicContact CD2-CZ 4.02Å; L91-F95 HydrophobicContact CG-CZ 4.12Å; L91-I102 HydrophobicContact CB-CB 4.45Å; L91-I102 PolarHBondContact N-O 3.04Å; L91-I102 PolarHBondContact O-N 3.09Å; L91-L104 HydrophobicContact CB-CD1 3.47Å; L91-L104 VanDerWaalsContact CB-CD1 3.47Å; L91-V115 HydrophobicContact CD2-CG2 4.07Å; L91-Y124 HydrophobicContact CD1-CD2 3.63Å; L91-Y124 HydrophobicContact CD1-CG 4.17Å; L91-F126 HydrophobicContact CD1-CD1 4.34Å; L91-F126 HydrophobicContact CD1-CE1 4.06Å; L91-F126 HydrophobicContact CD1-CZ 4.5Å
92S97.5Very high94.9Very high1 Ų163.1 Ų63.11%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-143.7150.8171-159.40000109.1N96 W98 N100 Y124 K125S92-N96 PolarHBondContact OG-OD1 2.99Å; S92-W98 WeakPolarHBondContact O-CZ3 3.05Å; S92-W98 WeakPolarHBondContact OG-CA 3.31Å; S92-N100 PolarHBondContact OG-O 3.13Å; S92-Y124 CarbonylContact O-C 3.51Å; S92-Y124 VanDerWaalsContact O-CA 3.31Å; S92-Y124 WeakPolarHBondContact O-CA 3.38Å; S92-K125 PolarHBondContact N-O 3.2Å; S92-K125 VanDerWaalsContact N-O 3.12Å; S92-K125 PolarHBondContact O-N 3.18Å
93G96.2Very high94.9Very high0 Ų066.2 Ų66.20%035%0.353CS..EExtended strand (participates in β ladder)trans-167.4-175.4-175.600000114.3F95 N96 N97 W98 Q123G93-F95 PolarHBondContact O-N 2.93Å; G93-N96 PolarHBondContact N-OD1 3.5Å; G93-N96 VanDerWaalsContact N-OD1 3.08Å; G93-N96 PolarHBondContact O-N 2.91Å; G93-N96 PolarHBondContact O-OD1 2.83Å; G93-N97 PolarHBondContact O-N 3.46Å; G93-W98 PolarHBondContact O-N 3.32Å; G93-Q123 CarbonylContact C-O 3.54Å; G93-Q123 WeakPolarHBondContact CA-O 3.33Å
94S95.2Very high95Very high40 Ų4063.4 Ų63.428%0.2834%0.335SS..G310 helixtrans-58-37.5179.150.70000112.7N96 N97 H122 Q123S94-N96 PolarHBondContact O-N 3.25Å; S94-N97 PolarHBondContact O-N 2.84Å; S94-N97 VanDerWaalsContact O-N 3.09Å; S94-H122 WeakPolarHBondContact OG-CA 3.5Å; S94-Q123 PolarHBondContact N-O 3.13Å; S94-Q123 PolarHBondContact OG-N 3.41Å; S94-Q123 VanDerWaalsContact OG-N 3.13Å; S94-Q123 PolarHBondContact OG-O 3.43Å
95F94.4Very high95.2Very high50 Ų5068.4 Ų68.422%0.21935%0.354CS..G310 helixtrans-65-20.4-178.752.9-99.4000114.7F80 L91 G93 I102 V115 L117 H122F80-F95 HydrophobicContact CZ-CE1 4.11Å; L91-F95 HydrophobicContact CD2-CZ 4.02Å; L91-F95 HydrophobicContact CG-CZ 4.12Å; G93-F95 PolarHBondContact O-N 2.93Å; F95-I102 HydrophobicContact CE2-CD1 3.79Å; F95-V115 HydrophobicContact CD2-CG1 4.05Å; F95-V115 HydrophobicContact CE2-CG1 4.01Å; F95-L117 HydrophobicContact CB-CD2 3.29Å; F95-L117 HydrophobicContact CD1-CD1 4.17Å; F95-L117 HydrophobicContact CD1-CD2 3.54Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 4.34Å; F95-L117 HydrophobicContact CG-CD2 3.33Å; F95-H122 HydrophobicContact CD1-CB 4.41Å
96N93.3Very high95.4Very high29 Ų2967.8 Ų67.816%0.15534%0.34CS..G310 helixtrans-117.723173.575.5-4.2000112.6S92 G93 S94 W98 A99 N100S92-N96 PolarHBondContact OG-OD1 2.99Å; G93-N96 PolarHBondContact N-OD1 3.5Å; G93-N96 VanDerWaalsContact N-OD1 3.08Å; G93-N96 PolarHBondContact O-N 2.91Å; G93-N96 PolarHBondContact O-OD1 2.83Å; S94-N96 PolarHBondContact O-N 3.25Å; N96-W98 PolarHBondContact O-N 3.38Å; N96-W98 VanDerWaalsContact O-N 3.07Å; N96-W98 PolarHBondContact OD1-N 3.31Å; N96-A99 WeakPolarHBondContact O-CB 3.32Å; N96-A99 PolarHBondContact O-N 3.07Å; N96-N100 PolarHBondContact ND2-O 2.97Å
97N94.1Very high95.4Very high139 Ų13970.4 Ų70.474%0.74336%0.358SS*.THydrogen-bonded Turntrans51.528.6-178.4-65-42.9000113.7G93 S94 A99G93-N97 PolarHBondContact O-N 3.46Å; S94-N97 PolarHBondContact O-N 2.84Å; S94-N97 VanDerWaalsContact O-N 3.09Å; N97-A99 PolarHBondContact O-N 2.98Å
98W94.1Very high95.1Very high102 Ų10270.2 Ų70.239%0.38636%0.359SS..THydrogen-bonded Turntrans55.615.5-174.2-53.190.5000114.5S92 G93 N96 Q123 K125 N149S92-W98 WeakPolarHBondContact O-CZ3 3.05Å; S92-W98 WeakPolarHBondContact OG-CA 3.31Å; G93-W98 PolarHBondContact O-N 3.32Å; N96-W98 PolarHBondContact O-N 3.38Å; N96-W98 VanDerWaalsContact O-N 3.07Å; N96-W98 PolarHBondContact OD1-N 3.31Å; W98-Q123 HydrophobicContact CH2-CB 4.5Å; W98-Q123 HydrophobicContact CZ2-CB 3.96Å; W98-K125 HydrophobicContact CH2-CB 4.15Å; W98-K125 HydrophobicContact CZ3-CB 3.7Å; W98-N149 HydrophobicContact CH2-CB 4.27Å; W98-N149 WeakPolarHBondContact CH2-ND2 2.99Å
99A91.5Very high94.9Very high74 Ų7470.4 Ų70.461%0.61236%0.364SS*.THydrogen-bonded Turntrans-82.6-41-169.400000111.9N96 N97N96-A99 WeakPolarHBondContact O-CB 3.32Å; N96-A99 PolarHBondContact O-N 3.07Å; N97-A99 PolarHBondContact O-N 2.98Å
100N93.4Very high94.7Very high116 Ų11672 Ų7262%0.6237%0.374SS*.SBendtrans-117.1156.5-175.8-65.9-30.4000111.4S92 N96S92-N100 PolarHBondContact OG-O 3.13Å; N96-N100 PolarHBondContact ND2-O 2.97Å
101K95.7Very high94.7Very high82 Ų8269.2 Ų69.236%0.35736%0.363SS..  trans-106.7110.9174.9-70.2-171.6-174.1-172.10109Y90 P103 Y127Y90-K101 HydrophobicContact CD1-CB 3.89Å; Y90-K101 HydrophobicContact CG-CB 4.03Å; Y90-K101 HydrophobicContact CG-CD 4.49Å; K101-P103 WeakPolarHBondContact O-CD 3.42Å; K101-Y127 HydrophobicContact CD-CD1 4.01Å; K101-Y127 HydrophobicContact CD-CG 4.18Å
102I97.4Very high94.7Very high50 Ų5071 Ų7126%0.25637%0.374SS..EExtended strand (participates in β ladder)trans-79.3117.8177.4-57.8176.9000107.7Y90 L91 F95 V115Y90-I102 CarbonylContact C-O 3.48Å; Y90-I102 WeakPolarHBondContact CA-O 3.46Å; L91-I102 HydrophobicContact CB-CB 4.45Å; L91-I102 PolarHBondContact N-O 3.04Å; L91-I102 PolarHBondContact O-N 3.09Å; F95-I102 HydrophobicContact CE2-CD1 3.79Å; I102-V115 HydrophobicContact CD1-CG2 4.02Å
103P97.3Very high94.6Very high85 Ų8571.5 Ų71.555%0.55238%0.378SS*.EExtended strand (participates in β ladder)trans-69.1135.1178.828.2-33.4000110.8Y90 K101Y90-P103 HydrophobicContact CD1-CB 3.95Å; Y90-P103 HydrophobicContact CE1-CB 3.92Å; K101-P103 WeakPolarHBondContact O-CD 3.42Å
104L97.8Very high94.7Very high16 Ų1676.9 Ų76.98%0.08441%0.406CS..PPolyproline II helixtrans-88142.3174-88.764.1000110.8W82 V89 L91 F111 A113 F126W82-L104 HydrophobicContact CB-CD2 4.19Å; V89-L104 HydrophobicContact CB-CB 4.28Å; V89-L104 HydrophobicContact CG1-CB 4.32Å; V89-L104 HydrophobicContact CG1-CD2 3.86Å; V89-L104 HydrophobicContact CG1-CG 4.47Å; V89-L104 PolarHBondContact O-N 3.22Å; L91-L104 HydrophobicContact CB-CD1 3.47Å; L91-L104 VanDerWaalsContact CB-CD1 3.47Å; L104-F111 HydrophobicContact CB-CB 3.85Å; L104-F111 HydrophobicContact CB-CD1 4.36Å; L104-F111 HydrophobicContact CD2-CB 3.84Å; L104-F111 HydrophobicContact CG-CB 4.45Å; L104-A113 HydrophobicContact CD1-CB 3.87Å; L104-A113 HydrophobicContact CG-CB 3.86Å; L104-F126 HydrophobicContact CD2-CD1 4.19Å; L104-F126 HydrophobicContact CD2-CE1 3.75Å
105I96.6Very high94.7Very high131 Ų13175.9 Ų75.967%0.67240%0.398SS*.EExtended strand (participates in β ladder)trans-83.6122.9176.6-57.7172.9000108.3F111 V112I105-F111 WeakPolarHBondContact O-CA 3.41Å; I105-V112 PolarHBondContact N-O 2.91Å; I105-V112 PolarHBondContact O-N 2.87Å
106R95.1Very high94.8Very high135 Ų13578.1 Ų78.151%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-76.5124.2176.2-169.3-177.8174.2110.27110.7G86 Q108 F111G86-R106 PolarHBondContact O-NH1 3.35Å; R106-Q108 PolarHBondContact NE-O 2.84Å; R106-Q108 PolarHBondContact NH2-O 3.08Å; R106-F111 HydrophobicContact CB-CD1 3.79Å; R106-F111 HydrophobicContact CB-CE1 3.59Å; R106-F111 HydrophobicContact CB-CZ 4.21Å; R106-F111 HydrophobicContact CG-CD1 4.12Å; R106-F111 HydrophobicContact CG-CE1 3.73Å; R106-F111 HydrophobicContact CG-CE2 4.24Å; R106-F111 HydrophobicContact CG-CZ 3.81Å; R106-F111 VanDerWaalsContact NH1-CZ 3.27Å
107S91.4Very high94.9Very high65 Ų6576.8 Ų76.846%0.45541%0.405SS..EExtended strand (participates in β ladder)trans-127.4111.5170.6-174.90000109.9N109 T110S107-N109 PolarHBondContact O-N 2.98Å; S107-T110 CarbonylContact C-O 3.48Å; S107-T110 PolarHBondContact N-O 2.96Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.81Å
108Q87.9Confident94.9Very high169 Ų16971.9 Ų71.979%0.7938%0.381SS*.THydrogen-bonded Turntrans51.5-105.8-176.9-58.8177.7-8.800112.4R106R106-Q108 PolarHBondContact NE-O 2.84Å; R106-Q108 PolarHBondContact NH2-O 3.08Å
109N89.8Confident94.9Very high123 Ų12371.7 Ų71.766%0.65838%0.384SS*.THydrogen-bonded Turntrans-105.614.4-179.7-67.982.7000112.9S107S107-N109 PolarHBondContact O-N 2.98Å
110T94.6Very high95.1Very high40 Ų4069 Ų6925%0.24536%0.364CS..EExtended strand (participates in β ladder)trans-133.5152.7-178.161.60000111.1W82 T83 S107W82-T110 WeakPolarHBondContact O-CA 3.21Å; T83-T110 HydrophobicContact CG2-CG2 4.21Å; S107-T110 CarbonylContact C-O 3.48Å; S107-T110 PolarHBondContact N-O 2.96Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.81Å
111F97.4Very high95.3Very high6 Ų668.7 Ų68.73%0.02636%0.359CS..EExtended strand (participates in β ladder)trans-117132.1172.6-72.2-96.3000107.8R81 W82 G86 V89 L104 I105 R106R81-F111 CarbonylContact C-O 3.55Å; R81-F111 WeakPolarHBondContact CA-O 3.34Å; W82-F111 HydrophobicContact CB-CB 4.11Å; W82-F111 AromaticContact CD1-CD2 3.94Å; W82-F111 PolarHBondContact N-O 2.95Å; W82-F111 PolarHBondContact O-N 2.89Å; G86-F111 VanDerWaalsContact O-CZ 3.24Å; G86-F111 WeakPolarHBondContact O-CZ 3.27Å; V89-F111 HydrophobicContact CB-CB 4.16Å; V89-F111 HydrophobicContact CB-CD1 3.75Å; V89-F111 HydrophobicContact CB-CD2 4.48Å; V89-F111 HydrophobicContact CB-CE1 4.14Å; V89-F111 HydrophobicContact CB-CG 3.91Å; V89-F111 HydrophobicContact CG1-CB 4.33Å; V89-F111 HydrophobicContact CG2-CB 4.28Å; V89-F111 HydrophobicContact CG2-CD1 3.66Å; V89-F111 HydrophobicContact CG2-CD2 3.72Å; V89-F111 HydrophobicContact CG2-CE1 3.7Å; V89-F111 HydrophobicContact CG2-CE2 3.77Å; V89-F111 HydrophobicContact CG2-CG 3.64Å; V89-F111 HydrophobicContact CG2-CZ 3.74Å; L104-F111 HydrophobicContact CB-CB 3.85Å; L104-F111 HydrophobicContact CB-CD1 4.36Å; L104-F111 HydrophobicContact CD2-CB 3.84Å; L104-F111 HydrophobicContact CG-CB 4.45Å; I105-F111 WeakPolarHBondContact O-CA 3.41Å; R106-F111 HydrophobicContact CB-CD1 3.79Å; R106-F111 HydrophobicContact CB-CE1 3.59Å; R106-F111 HydrophobicContact CB-CZ 4.21Å; R106-F111 HydrophobicContact CG-CD1 4.12Å; R106-F111 HydrophobicContact CG-CE1 3.73Å; R106-F111 HydrophobicContact CG-CE2 4.24Å; R106-F111 HydrophobicContact CG-CZ 3.81Å; R106-F111 VanDerWaalsContact NH1-CZ 3.27Å
112V97.3Very high95.3Very high39 Ų3965.6 Ų65.624%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-134.8142-173.2-176.20000111.3V79 F80 R81 I105V79-V112 HydrophobicContact CG1-CG1 3.83Å; F80-V112 WeakPolarHBondContact O-CA 3.45Å; R81-V112 HydrophobicContact CB-CG2 4.47Å; R81-V112 HydrophobicContact CG-CG2 4.15Å; I105-V112 PolarHBondContact N-O 2.91Å; I105-V112 PolarHBondContact O-N 2.87Å
113A96.9Very high95.3Very high10 Ų1065.6 Ų65.68%0.08335%0.345CS..EExtended strand (participates in β ladder)trans-136.1144.3164.700000109.3F80 L104F80-A113 PolarHBondContact N-O 2.76Å; F80-A113 PolarHBondContact O-N 2.83Å; L104-A113 HydrophobicContact CD1-CB 3.87Å; L104-A113 HydrophobicContact CG-CB 3.86Å
114I96.9Very high95.3Very high114 Ų11462 Ų6259%0.58532%0.32SS*.EExtended strand (participates in β ladder)trans-108.5123.5170.6-55.3-179.6000106.3P77 T78 V79P77-I114 HydrophobicContact CB-CG2 3.76Å; T78-I114 WeakPolarHBondContact O-CA 3.34Å; V79-I114 HydrophobicContact CG2-CG1 4.32Å
115V96.5Very high95.3Very high19 Ų1962.5 Ų62.512%0.11532%0.322CS..EExtended strand (participates in β ladder)trans-125.8127.2-179.5-176.50000107.7T78 F80 L91 F95 I102 L117T78-V115 WeakPolarHBondContact CB-O 3.32Å; T78-V115 PolarHBondContact N-O 2.55Å; T78-V115 PolarHBondContact O-N 2.82Å; F80-V115 HydrophobicContact CD2-CB 4.27Å; F80-V115 HydrophobicContact CD2-CG2 4.1Å; F80-V115 HydrophobicContact CE2-CB 4.07Å; F80-V115 HydrophobicContact CE2-CG2 4.31Å; L91-V115 HydrophobicContact CD2-CG2 4.07Å; F95-V115 HydrophobicContact CD2-CG1 4.05Å; F95-V115 HydrophobicContact CE2-CG1 4.01Å; I102-V115 HydrophobicContact CD1-CG2 4.02Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 4.23Å; V115-L117 PolarHBondContact O-N 3.23Å
116D95.9Very high95.3Very high96 Ų9656.3 Ų56.351%0.51329%0.29SS..EExtended strand (participates in β ladder)trans-74.7122.2174.5-60.4-39000108.8D75 R76 P77D75-D116 HydrophobicContact CB-CB 3.71Å; R76-D116 WeakPolarHBondContact O-CA 3.48Å; P77-D116 WeakPolarHBondContact CA-OD1 3.45Å; P77-D116 WeakPolarHBondContact CB-OD1 3.42Å
117L95.4Very high95.4Very high1 Ų152.5 Ų52.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-128.2140.6-176.6-63.7-177000110.9R76 T78 F80 F95 V115 H122 V154R76-L117 PolarHBondContact N-O 2.94Å; R76-L117 PolarHBondContact O-N 2.89Å; T78-L117 HydrophobicContact CG2-CD1 4.16Å; F80-L117 HydrophobicContact CE2-CD1 3.78Å; F80-L117 HydrophobicContact CZ-CD1 3.67Å; F95-L117 HydrophobicContact CB-CD2 3.29Å; F95-L117 HydrophobicContact CD1-CD1 4.17Å; F95-L117 HydrophobicContact CD1-CD2 3.54Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 4.34Å; F95-L117 HydrophobicContact CG-CD2 3.33Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 4.23Å; V115-L117 PolarHBondContact O-N 3.23Å; L117-H122 HydrophobicContact CD1-CB 4.3Å; L117-V154 HydrophobicContact CB-CG2 4.32Å; L117-V154 HydrophobicContact CD1-CG2 4.37Å
118P94.7Very high95.7Very high37 Ų3750.1 Ų50.124%0.2426%0.259CS..  trans-69.1160.6172.230.1-34000110.3A73 D75 G120 H122A73-P118 HydrophobicContact CB-CB 3.91Å; D75-P118 WeakPolarHBondContact OD1-CB 3.49Å; D75-P118 VanDerWaalsContact OD1-CD 3.25Å; D75-P118 WeakPolarHBondContact OD1-CD 3.49Å; P118-G120 PolarHBondContact O-N 2.84Å; P118-H122 PolarHBondContact O-NE2 3.47Å
119E94.3Very high96.1Very high97 Ų9746.1 Ų46.145%0.45324%0.243SC..SBendtrans-56.4133.8172.8-169.8-178.3-176.700110.9V154 K156E119-V154 WeakPolarHBondContact CG-O 2.94Å; E119-K156 VanDerWaalsContact CD-CG 3.46Å; E119-K156 PolarHBondContact OE1-N 3.36Å; E119-K156 WeakPolarHBondContact OE2-CE 3.45Å; E119-K156 WeakPolarHBondContact OE2-CG 3.47Å
120G94.9Very high96.3Very high19 Ų1941.8 Ų41.820%0.19623%0.227CC..EExtended strand (participates in β ladder)trans143.9-173.4179.900000113.9P118 H122 V154P118-G120 PolarHBondContact O-N 2.84Å; G120-H122 PolarHBondContact O-CD2 3.44Å; G120-V154 PolarHBondContact N-O 2.73Å; G120-V154 PolarHBondContact O-N 3.1Å
121E96.5Very high96.4Very high109 Ų10946.8 Ų46.851%0.50925%0.247SC..EExtended strand (participates in β ladder)trans-88129176-173.5-175.2117.800110I151E121-I151 HydrophobicContact CG-CD1 3.41Å; E121-I151 VanDerWaalsContact CG-CD1 3.41Å; E121-I151 HydrophobicContact CG-CG1 3.56Å; E121-I151 VanDerWaalsContact OE1-CD1 3.27Å; E121-I151 WeakPolarHBondContact OE1-CD1 3.2Å; E121-I151 WeakPolarHBondContact OE2-CD1 3.25Å
122H96.6Very high96.3Very high16 Ų1652 Ų527%0.07427%0.267CS..EExtended strand (participates in β ladder)trans-127.2129.8177.3-62-81.4000110.8S94 F95 L117 P118 G120 I151 I152S94-H122 WeakPolarHBondContact OG-CA 3.5Å; F95-H122 HydrophobicContact CD1-CB 4.41Å; L117-H122 HydrophobicContact CD1-CB 4.3Å; P118-H122 PolarHBondContact O-NE2 3.47Å; G120-H122 PolarHBondContact O-CD2 3.44Å; H122-I151 WeakPolarHBondContact O-CA 3.47Å; H122-I152 HydrophobicContact CB-CG2 3.93Å; H122-I152 PolarHBondContact N-O 3.41Å; H122-I152 PolarHBondContact O-N 3.19Å
123Q97.1Very high96.3Very high51 Ų5152.3 Ų52.324%0.23827%0.269CS..EExtended strand (participates in β ladder)trans-94.4140.3173.6-64.8-176.123.200109.8G93 S94 W98 V141 N149 N150G93-Q123 CarbonylContact C-O 3.54Å; G93-Q123 WeakPolarHBondContact CA-O 3.33Å; S94-Q123 PolarHBondContact N-O 3.13Å; S94-Q123 PolarHBondContact OG-N 3.41Å; S94-Q123 VanDerWaalsContact OG-N 3.13Å; S94-Q123 PolarHBondContact OG-O 3.43Å; W98-Q123 HydrophobicContact CH2-CB 4.5Å; W98-Q123 HydrophobicContact CZ2-CB 3.96Å; Q123-V141 VanDerWaalsContact CD-CG1 3.49Å; Q123-V141 HydrophobicContact CG-CG1 3.76Å; Q123-N149 HydrophobicContact CB-CB 4.4Å; Q123-N149 PolarHBondContact OE1-ND2 3.21Å; Q123-N150 CarbonylContact C-O 3.51Å; Q123-N150 WeakPolarHBondContact CA-O 3.42Å
124Y97.4Very high96.2Very high9 Ų955 Ų554%0.03528%0.28CS..EExtended strand (participates in β ladder)trans-147.5163-179.569.1-81.1000112.3F80 L91 S92 F126 N150 I152F80-Y124 HydrophobicContact CD1-CD1 4.35Å; F80-Y124 AromaticContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CE1 4.37Å; F80-Y124 AromaticContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CG 4.03Å; F80-Y124 AromaticContact CE1-CD1 3.62Å; F80-Y124 HydrophobicContact CE1-CD1 3.62Å; F80-Y124 AromaticContact CE1-CD2 3.8Å; F80-Y124 HydrophobicContact CE1-CD2 3.8Å; F80-Y124 AromaticContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 4.01Å; F80-Y124 AromaticContact CE1-CG 3.58Å; F80-Y124 HydrophobicContact CE1-CG 3.58Å; L91-Y124 HydrophobicContact CD1-CD2 3.63Å; L91-Y124 HydrophobicContact CD1-CG 4.17Å; S92-Y124 CarbonylContact O-C 3.51Å; S92-Y124 VanDerWaalsContact O-CA 3.31Å; S92-Y124 WeakPolarHBondContact O-CA 3.38Å; Y124-F126 HydrophobicContact CD2-CE2 4.15Å; Y124-F126 HydrophobicContact CD2-CZ 4.31Å; Y124-F126 HydrophobicContact CE2-CD2 4.46Å; Y124-F126 AromaticContact CE2-CE2 3.62Å; Y124-F126 HydrophobicContact CE2-CE2 3.62Å; Y124-F126 AromaticContact CE2-CZ 3.88Å; Y124-F126 HydrophobicContact CE2-CZ 3.88Å; Y124-N150 HydrophobicContact CD1-CB 3.85Å; Y124-N150 HydrophobicContact CD2-CB 3.99Å; Y124-N150 HydrophobicContact CE1-CB 3.37Å; Y124-N150 HydrophobicContact CE2-CB 3.54Å; Y124-N150 HydrophobicContact CG-CB 4.15Å; Y124-N150 PolarHBondContact N-O 3.43Å; Y124-N150 PolarHBondContact O-N 3.39Å; Y124-I152 HydrophobicContact CD1-CB 4.5Å; Y124-I152 HydrophobicContact CD1-CG2 4.1Å; Y124-I152 HydrophobicContact CE1-CB 3.97Å; Y124-I152 HydrophobicContact CE1-CG2 4.05Å
125K97.2Very high96.2Very high26 Ų2649.8 Ų49.811%0.11325%0.253CS..EExtended strand (participates in β ladder)trans-150.1147.9177.6-157.8169.5-169160.60111.2S92 W98 W132 T133 T147 V148S92-K125 PolarHBondContact N-O 3.2Å; S92-K125 VanDerWaalsContact N-O 3.12Å; S92-K125 PolarHBondContact O-N 3.18Å; W98-K125 HydrophobicContact CH2-CB 4.15Å; W98-K125 HydrophobicContact CZ3-CB 3.7Å; K125-W132 HydrophobicContact CB-CE3 4Å; K125-W132 HydrophobicContact CB-CZ3 4.07Å; K125-W132 HydrophobicContact CD-CB 4.22Å; K125-W132 HydrophobicContact CD-CD2 4.44Å; K125-W132 HydrophobicContact CD-CE3 3.91Å; K125-W132 HydrophobicContact CG-CE3 3.85Å; K125-W132 HydrophobicContact CG-CZ3 4.43Å; K125-T133 WeakPolarHBondContact CG-O 3.42Å; K125-T147 VanDerWaalsContact NZ-CG2 3.34Å; K125-V148 VanDerWaalsContact CE-O 3.23Å; K125-V148 WeakPolarHBondContact CE-O 3.19Å; K125-V148 PolarHBondContact NZ-O 3.15Å
126F98Very high96.1Very high1 Ų154 Ų540%0.00428%0.281CS..EExtended strand (participates in β ladder)trans-93.5142.6176.1-64.8-77.3000111.1W82 V89 Y90 L91 L104 Y124 V128 W132 T133 D135W82-F126 HydrophobicContact CB-CD1 4.14Å; W82-F126 HydrophobicContact CB-CE1 3.94Å; W82-F126 HydrophobicContact CB-CZ 4.21Å; W82-F126 HydrophobicContact CD2-CD2 4.43Å; W82-F126 HydrophobicContact CD2-CG 4.34Å; W82-F126 HydrophobicContact CE3-CB 4.18Å; W82-F126 HydrophobicContact CE3-CD1 4.38Å; W82-F126 AromaticContact CE3-CD2 3.45Å; W82-F126 HydrophobicContact CE3-CD2 3.45Å; W82-F126 VanDerWaalsContact CE3-CD2 3.45Å; W82-F126 AromaticContact CE3-CE2 3.83Å; W82-F126 HydrophobicContact CE3-CE2 3.83Å; W82-F126 AromaticContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CZ 4.44Å; W82-F126 HydrophobicContact CZ3-CB 4.44Å; W82-F126 AromaticContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CE2 4.47Å; W82-F126 HydrophobicContact CZ3-CG 4.33Å; V89-F126 HydrophobicContact CG1-CD1 4.1Å; Y90-F126 CarbonylContact O-C 3.57Å; Y90-F126 WeakPolarHBondContact O-CA 3.17Å; L91-F126 HydrophobicContact CD1-CD1 4.34Å; L91-F126 HydrophobicContact CD1-CE1 4.06Å; L91-F126 HydrophobicContact CD1-CZ 4.5Å; L104-F126 HydrophobicContact CD2-CD1 4.19Å; L104-F126 HydrophobicContact CD2-CE1 3.75Å; Y124-F126 HydrophobicContact CD2-CE2 4.15Å; Y124-F126 HydrophobicContact CD2-CZ 4.31Å; Y124-F126 HydrophobicContact CE2-CD2 4.46Å; Y124-F126 AromaticContact CE2-CE2 3.62Å; Y124-F126 HydrophobicContact CE2-CE2 3.62Å; Y124-F126 AromaticContact CE2-CZ 3.88Å; Y124-F126 HydrophobicContact CE2-CZ 3.88Å; F126-V128 HydrophobicContact CB-CG2 4.12Å; F126-W132 WeakPolarHBondContact O-CA 3.44Å; F126-T133 HydrophobicContact CB-CG2 4.12Å; F126-T133 PolarHBondContact N-O 2.98Å; F126-T133 PolarHBondContact O-N 2.84Å; F126-D135 HydrophobicContact CE2-CB 4.13Å
127Y97.5Very high96.1Very high56 Ų5654.4 Ų54.422%0.2229%0.287CS..EExtended strand (participates in β ladder)trans-115.4105.4170.1-172.3-99000108.3V89 Y90 K101 G130 Q131 W132V89-Y127 WeakPolarHBondContact CA-O 3.38Å; Y90-Y127 HydrophobicContact CD2-CD1 4.02Å; Y90-Y127 PolarHBondContact N-O 2.83Å; Y90-Y127 PolarHBondContact O-N 3.39Å; K101-Y127 HydrophobicContact CD-CD1 4.01Å; K101-Y127 HydrophobicContact CD-CG 4.18Å; Y127-G130 VanDerWaalsContact CE2-C 3.49Å; Y127-G130 WeakPolarHBondContact CE2-O 3.22Å; Y127-G130 WeakPolarHBondContact OH-CA 3.05Å; Y127-G130 PolarHBondContact OH-O 3.25Å; Y127-Q131 CarbonylContact C-O 3.56Å; Y127-Q131 WeakPolarHBondContact CA-O 3.39Å; Y127-W132 AromaticContact CD2-CD1 3.95Å; Y127-W132 AromaticContact CD2-CD2 3.64Å; Y127-W132 HydrophobicContact CD2-CD2 3.64Å; Y127-W132 AromaticContact CD2-CE2 3.62Å; Y127-W132 HydrophobicContact CD2-CE3 4.13Å; Y127-W132 AromaticContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CZ2 4.13Å; Y127-W132 AromaticContact CD2-NE1 3.81Å; Y127-W132 HydrophobicContact CE2-CD2 4.47Å; Y127-W132 HydrophobicContact CE2-CG 4.42Å; Y127-W132 AromaticContact CE2-NE1 3.93Å; Y127-W132 HydrophobicContact CG-CD2 4.49Å
128V97.4Very high96.1Very high15 Ų1558.3 Ų58.39%0.09131%0.305CS..EExtended strand (participates in β ladder)trans-115.7120.9-171.5-179.30000108.5W82 D85 E88 V89 F126 G130 Q131 T133W82-V128 HydrophobicContact CD2-CG2 4.31Å; W82-V128 HydrophobicContact CZ2-CG2 3.94Å; D85-V128 WeakPolarHBondContact O-CG1 3.33Å; E88-V128 WeakPolarHBondContact O-CA 3.49Å; V89-V128 HydrophobicContact CG1-CG2 4.04Å; V89-V128 HydrophobicContact CG2-CG1 4.23Å; V89-V128 HydrophobicContact CG2-CG2 4.15Å; F126-V128 HydrophobicContact CB-CG2 4.12Å; V128-G130 PolarHBondContact O-N 3.39Å; V128-Q131 PolarHBondContact N-O 3.38Å; V128-Q131 PolarHBondContact O-N 3.3Å; V128-T133 HydrophobicContact CB-CG2 4.06Å; V128-T133 HydrophobicContact CG2-CG2 3.53Å
129D95.9Very high96.2Very high85 Ų8560.3 Ų60.346%0.45532%0.318SS..THydrogen-bonded Turntrans48.237.7175.4-64.9-17.3000114.4G86 K87 E88G86-D129 WeakPolarHBondContact CA-OD2 2.91Å; K87-D129 WeakPolarHBondContact CA-OD1 3.33Å; K87-D129 WeakPolarHBondContact CB-OD1 3.45Å; K87-D129 PolarHBondContact N-OD1 3.09Å; K87-D129 PolarHBondContact N-OD2 3.07Å; K87-D129 VanDerWaalsContact N-OD2 3.1Å; E88-D129 PolarHBondContact N-OD1 3.09Å; E88-D129 PolarHBondContact O-N 3.29Å
130G94.9Very high96.4Very high32 Ų3259.1 Ų59.133%0.3332%0.317SS..THydrogen-bonded Turntrans93.9-1.7178.900000115.5Y127 V128Y127-G130 VanDerWaalsContact CE2-C 3.49Å; Y127-G130 WeakPolarHBondContact CE2-O 3.22Å; Y127-G130 WeakPolarHBondContact OH-CA 3.05Å; Y127-G130 PolarHBondContact OH-O 3.25Å; V128-G130 PolarHBondContact O-N 3.39Å
131Q96Very high96.4Very high144 Ų14460.2 Ų60.267%0.67332%0.32SS*.EExtended strand (participates in β ladder)trans-122.5140.1-175.7-64.3-60.1-36.400112.4Y127 V128Y127-Q131 CarbonylContact C-O 3.56Å; Y127-Q131 WeakPolarHBondContact CA-O 3.39Å; V128-Q131 PolarHBondContact N-O 3.38Å; V128-Q131 PolarHBondContact O-N 3.3Å
132W95.9Very high96.4Very high117 Ų11759.5 Ų59.544%0.44332%0.323SS..EExtended strand (participates in β ladder)trans-79.6122.9173.8-74.5108.8000110.5K125 F126 Y127K125-W132 HydrophobicContact CB-CE3 4Å; K125-W132 HydrophobicContact CB-CZ3 4.07Å; K125-W132 HydrophobicContact CD-CB 4.22Å; K125-W132 HydrophobicContact CD-CD2 4.44Å; K125-W132 HydrophobicContact CD-CE3 3.91Å; K125-W132 HydrophobicContact CG-CE3 3.85Å; K125-W132 HydrophobicContact CG-CZ3 4.43Å; F126-W132 WeakPolarHBondContact O-CA 3.44Å; Y127-W132 AromaticContact CD2-CD1 3.95Å; Y127-W132 AromaticContact CD2-CD2 3.64Å; Y127-W132 HydrophobicContact CD2-CD2 3.64Å; Y127-W132 AromaticContact CD2-CE2 3.62Å; Y127-W132 HydrophobicContact CD2-CE3 4.13Å; Y127-W132 AromaticContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CZ2 4.13Å; Y127-W132 AromaticContact CD2-NE1 3.81Å; Y127-W132 HydrophobicContact CE2-CD2 4.47Å; Y127-W132 HydrophobicContact CE2-CG 4.42Å; Y127-W132 AromaticContact CE2-NE1 3.93Å; Y127-W132 HydrophobicContact CG-CD2 4.49Å
133T96.1Very high96Very high45 Ų4560.8 Ų60.828%0.27633%0.334SS..EExtended strand (participates in β ladder)trans-138.6167.7179.6-1680000110.9W82 K125 F126 V128W82-T133 HydrophobicContact CH2-CG2 3.45Å; W82-T133 VanDerWaalsContact CH2-CG2 3.45Å; W82-T133 HydrophobicContact CZ2-CG2 3.88Å; W82-T133 HydrophobicContact CZ3-CG2 3.98Å; K125-T133 WeakPolarHBondContact CG-O 3.42Å; F126-T133 HydrophobicContact CB-CG2 4.12Å; F126-T133 PolarHBondContact N-O 2.98Å; F126-T133 PolarHBondContact O-N 2.84Å; V128-T133 HydrophobicContact CB-CG2 4.06Å; V128-T133 HydrophobicContact CG2-CG2 3.53Å
134H96.1Very high95.4Very high65 Ų6568.1 Ų68.130%0.30137%0.368SS..  trans-127.4157.5177.368.7-82.5000108.9P136 N150H134-P136 WeakPolarHBondContact O-CD 3.22Å; H134-N150 WeakPolarHBondContact CA-OD1 3.46Å; H134-N150 VanDerWaalsContact CB-OD1 3.29Å; H134-N150 WeakPolarHBondContact CB-OD1 3.23Å
135D96Very high94.9Very high6 Ų675.2 Ų75.23%0.03241%0.406CS..  trans-79119.4173.6-167.7-26.8000109.2W82 F126 T137 E138 N150W82-D135 HydrophobicContact CE3-CB 4.36Å; W82-D135 HydrophobicContact CZ3-CB 4.18Å; F126-D135 HydrophobicContact CE2-CB 4.13Å; D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.47Å; D135-T137 PolarHBondContact OD1-N 2.83Å; D135-T137 PolarHBondContact OD1-OG1 2.96Å; D135-E138 HydrophobicContact CB-CB 4.25Å; D135-E138 HydrophobicContact CB-CG 4.15Å; D135-E138 PolarHBondContact O-N 2.89Å; D135-N150 PolarHBondContact N-OD1 2.73Å; D135-N150 PolarHBondContact O-ND2 3.44Å
136P94.9Very high94.5Very high106 Ų10676.5 Ų76.569%0.68843%0.427SS*.THydrogen-bonded Turntrans-72.6-14.4179.730.9-36.9000113.9H134H134-P136 WeakPolarHBondContact O-CD 3.22Å
137T95.1Very high94.2Very high105 Ų10579.3 Ų79.364%0.64444%0.444SS*.THydrogen-bonded Turntrans-85.7-17.7177.566.90000112.9D135D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.47Å; D135-T137 PolarHBondContact OD1-N 2.83Å; D135-T137 PolarHBondContact OD1-OG1 2.96Å
138E96.4Very high94.1Very high84 Ų8478.9 Ų78.939%0.39345%0.447SS..SBendtrans-97.9153.1-179-64.6-59.1145.700111.5D135 N150D135-E138 HydrophobicContact CB-CB 4.25Å; D135-E138 HydrophobicContact CB-CG 4.15Å; D135-E138 PolarHBondContact O-N 2.89Å; E138-N150 PolarHBondContact O-ND2 3.48Å
139P96.6Very high94.1Very high78 Ų7878.6 Ų78.651%0.50645%0.445SS..  trans-55.3148175.9-25.335.6000112.8N150 I151P139-N150 VanDerWaalsContact O-CA 3.27Å; P139-N150 WeakPolarHBondContact O-CA 3.36Å; P139-N150 PolarHBondContact O-ND2 3.38Å; P139-I151 HydrophobicContact CB-CG2 3.69Å; P139-I151 PolarHBondContact O-N 2.81Å
140V97.3Very high94.1Very high72 Ų7274.6 Ų74.644%0.43642%0.424SS..EExtended strand (participates in β ladder)trans-128.6151.7178.8-65.10000112.4V148 N149 N150V140-V148 HydrophobicContact CB-CG1 3.88Å; V140-V148 HydrophobicContact CG1-CG1 4.08Å; V140-V148 HydrophobicContact CG2-CG1 4.28Å; V140-N149 CarbonylContact C-O 3.55Å; V140-N149 WeakPolarHBondContact CA-O 3.44Å; V140-N149 WeakPolarHBondContact CB-O 3.28Å; V140-N150 WeakPolarHBondContact CG1-ND2 3.37Å
141V96.5Very high94.3Very high43 Ų4374.7 Ų74.726%0.26142%0.416SS..EExtended strand (participates in β ladder)trans-128.5140.817165.40000109.5Q123 N149 I151Q123-V141 VanDerWaalsContact CD-CG1 3.49Å; Q123-V141 HydrophobicContact CG-CG1 3.76Å; V141-N149 PolarHBondContact N-O 2.81Å; V141-N149 PolarHBondContact O-N 3.34Å; V141-I151 HydrophobicContact CB-CB 4.46Å; V141-I151 HydrophobicContact CB-CD1 4.47Å; V141-I151 HydrophobicContact CB-CG2 4.49Å; V141-I151 HydrophobicContact CG1-CB 4.11Å; V141-I151 HydrophobicContact CG1-CD1 4.49Å
142T95.4Very high94.3Very high94 Ų9469.9 Ų69.958%0.57740%0.395SS*.EExtended strand (participates in β ladder)trans-97.9118.9176.6-55.30000109.3
143S87.8Confident94.3Very high42 Ų4268.6 Ų68.629%0.29439%0.394SS..  trans-68.1159.4176-176.70000111.3L145 G146 T147S143-L145 PolarHBondContact O-N 2.89Å; S143-G146 PolarHBondContact O-N 2.84Å; S143-T147 WeakPolarHBondContact CB-O 3.4Å; S143-T147 PolarHBondContact N-O 3.44Å
144Q85.1Confident94.3Very high205 Ų20566.6 Ų66.696%0.95838%0.381SS*.THydrogen-bonded Turntrans-57.1-25.3178.2-61.7177.21700113G146Q144-G146 VanDerWaalsContact C-N 3.27Å; Q144-G146 PolarHBondContact O-N 3.21Å
145L86.1Confident94.1Very high158 Ų15868.1 Ų68.183%0.82739%0.387SS*.THydrogen-bonded Turntrans-84.85177.3-59.4174.7000113.4S143 T147S143-L145 PolarHBondContact O-N 2.89Å; L145-T147 VanDerWaalsContact C-N 3.33Å
146G88.7Confident93.8Very high54 Ų5473.9 Ų73.956%0.55741%0.412SS*.SBendtrans83.80.6-179.600000115S143 Q144S143-G146 PolarHBondContact O-N 2.84Å; Q144-G146 VanDerWaalsContact C-N 3.27Å; Q144-G146 PolarHBondContact O-N 3.21Å
147T91.8Very high93.6Very high60 Ų6070.7 Ų70.737%0.36839%0.391SS..  trans-76.5125.7177.8-53.10000110.9K125 S143 L145 N149K125-T147 VanDerWaalsContact NZ-CG2 3.34Å; S143-T147 WeakPolarHBondContact CB-O 3.4Å; S143-T147 PolarHBondContact N-O 3.44Å; L145-T147 VanDerWaalsContact C-N 3.33Å; T147-N149 WeakPolarHBondContact CG2-OD1 3.36Å
148V96.1Very high93.4Very high46 Ų4669.2 Ų69.228%0.27938%0.379SS..EExtended strand (participates in β ladder)trans-85.1125.7171.2-175.80000109.9K125 V140K125-V148 VanDerWaalsContact CE-O 3.23Å; K125-V148 WeakPolarHBondContact CE-O 3.19Å; K125-V148 PolarHBondContact NZ-O 3.15Å; V140-V148 HydrophobicContact CB-CG1 3.88Å; V140-V148 HydrophobicContact CG1-CG1 4.08Å; V140-V148 HydrophobicContact CG2-CG1 4.28Å
149N97Very high93Very high10 Ų1068.1 Ų68.15%0.05337%0.373CS..EExtended strand (participates in β ladder)trans-124.7151.8176.4-63.8-24.7000109.3W98 Q123 V140 V141 T147W98-N149 HydrophobicContact CH2-CB 4.27Å; W98-N149 WeakPolarHBondContact CH2-ND2 2.99Å; Q123-N149 HydrophobicContact CB-CB 4.4Å; Q123-N149 PolarHBondContact OE1-ND2 3.21Å; V140-N149 CarbonylContact C-O 3.55Å; V140-N149 WeakPolarHBondContact CA-O 3.44Å; V140-N149 WeakPolarHBondContact CB-O 3.28Å; V141-N149 PolarHBondContact N-O 2.81Å; V141-N149 PolarHBondContact O-N 3.34Å; T147-N149 WeakPolarHBondContact CG2-OD1 3.36Å
150N97.6Very high92.8Very high0 Ų070.1 Ų70.10%038%0.375CS..EExtended strand (participates in β ladder)trans-73.6157.6165-69112.6000110.4Q123 Y124 H134 D135 E138 P139 V140Q123-N150 CarbonylContact C-O 3.51Å; Q123-N150 WeakPolarHBondContact CA-O 3.42Å; Y124-N150 HydrophobicContact CD1-CB 3.85Å; Y124-N150 HydrophobicContact CD2-CB 3.99Å; Y124-N150 HydrophobicContact CE1-CB 3.37Å; Y124-N150 HydrophobicContact CE2-CB 3.54Å; Y124-N150 HydrophobicContact CG-CB 4.15Å; Y124-N150 PolarHBondContact N-O 3.43Å; Y124-N150 PolarHBondContact O-N 3.39Å; H134-N150 WeakPolarHBondContact CA-OD1 3.46Å; H134-N150 VanDerWaalsContact CB-OD1 3.29Å; H134-N150 WeakPolarHBondContact CB-OD1 3.23Å; D135-N150 PolarHBondContact N-OD1 2.73Å; D135-N150 PolarHBondContact O-ND2 3.44Å; E138-N150 PolarHBondContact O-ND2 3.48Å; P139-N150 VanDerWaalsContact O-CA 3.27Å; P139-N150 WeakPolarHBondContact O-CA 3.36Å; P139-N150 PolarHBondContact O-ND2 3.38Å; V140-N150 WeakPolarHBondContact CG1-ND2 3.37Å
151I97.5Very high92.5Very high35 Ų3571.4 Ų71.418%0.17938%0.383CS..EExtended strand (participates in β ladder)trans-132.3131.7-179.9-179.4174.9000109.4E121 H122 P139 V141E121-I151 HydrophobicContact CG-CD1 3.41Å; E121-I151 VanDerWaalsContact CG-CD1 3.41Å; E121-I151 HydrophobicContact CG-CG1 3.56Å; E121-I151 VanDerWaalsContact OE1-CD1 3.27Å; E121-I151 WeakPolarHBondContact OE1-CD1 3.2Å; E121-I151 WeakPolarHBondContact OE2-CD1 3.25Å; H122-I151 WeakPolarHBondContact O-CA 3.47Å; P139-I151 HydrophobicContact CB-CG2 3.69Å; P139-I151 PolarHBondContact O-N 2.81Å; V141-I151 HydrophobicContact CB-CB 4.46Å; V141-I151 HydrophobicContact CB-CD1 4.47Å; V141-I151 HydrophobicContact CB-CG2 4.49Å; V141-I151 HydrophobicContact CG1-CB 4.11Å; V141-I151 HydrophobicContact CG1-CD1 4.49Å
152I96.8Very high92.3Very high43 Ų4377.4 Ų77.422%0.22141%0.406CS..EExtended strand (participates in β ladder)trans-123.6137.1174.1-172.4163000109.7T78 F80 H122 Y124T78-I152 HydrophobicContact CG2-CD1 3.6Å; F80-I152 HydrophobicContact CE1-CG2 4.11Å; F80-I152 HydrophobicContact CZ-CG2 4.06Å; H122-I152 HydrophobicContact CB-CG2 3.93Å; H122-I152 PolarHBondContact N-O 3.41Å; H122-I152 PolarHBondContact O-N 3.19Å; Y124-I152 HydrophobicContact CD1-CB 4.5Å; Y124-I152 HydrophobicContact CD1-CG2 4.1Å; Y124-I152 HydrophobicContact CE1-CB 3.97Å; Y124-I152 HydrophobicContact CE1-CG2 4.05Å
153Q95.8Very high92.1Very high89 Ų8976 Ų7642%0.41640%0.395SS..EExtended strand (participates in β ladder)trans-104.8112.6173.9-176.968.84200108.5K155Q153-K155 HydrophobicContact CG-CD 4.39Å; Q153-K155 HydrophobicContact CG-CG 3.85Å
154V95.6Very high92.3Very high3 Ų375 Ų752%0.01839%0.39CS..EExtended strand (participates in β ladder)trans-91.1120.2173.3-178.70000107.6T78 L117 E119 G120 F159T78-V154 HydrophobicContact CG2-CG2 4.22Å; L117-V154 HydrophobicContact CB-CG2 4.32Å; L117-V154 HydrophobicContact CD1-CG2 4.37Å; E119-V154 WeakPolarHBondContact CG-O 2.94Å; G120-V154 PolarHBondContact N-O 2.73Å; G120-V154 PolarHBondContact O-N 3.1Å; V154-F159 HydrophobicContact CG1-CE2 3.59Å; V154-F159 HydrophobicContact CG1-CZ 3.68Å
155K92.7Very high92.7Very high98 Ų9870.4 Ų70.443%0.42637%0.371SS..  trans-117.7158.7179.3-59.6-176.2-179.1179.20111.1Q153 T157 D158 F159Q153-K155 HydrophobicContact CG-CD 4.39Å; Q153-K155 HydrophobicContact CG-CG 3.85Å; K155-T157 PolarHBondContact O-N 2.91Å; K155-D158 WeakPolarHBondContact CB-OD2 2.97Å; K155-D158 PolarHBondContact N-OD2 3.44Å; K155-D158 PolarHBondContact O-N 3.31Å; K155-F159 VanDerWaalsContact O-CD2 3.22Å; K155-F159 WeakPolarHBondContact O-CD2 3.42Å; K155-F159 VanDerWaalsContact O-CE2 3.23Å; K155-F159 WeakPolarHBondContact O-CE2 3.42Å
156K89.7Confident92.8Very high127 Ų12767.5 Ų67.555%0.55235%0.354SS*.G310 helixtrans-56.3-38.2173.5-59-167.3-178.2-177.80113.3R76 E119 D158 F159R76-K156 PolarHBondContact NH1-O 2.91Å; E119-K156 VanDerWaalsContact CD-CG 3.46Å; E119-K156 PolarHBondContact OE1-N 3.36Å; E119-K156 WeakPolarHBondContact OE2-CE 3.45Å; E119-K156 WeakPolarHBondContact OE2-CG 3.47Å; K156-D158 PolarHBondContact O-N 3.27Å; K156-F159 PolarHBondContact O-N 3.5Å
157T90.3Very high92.8Very high39 Ų3966.6 Ų66.624%0.23934%0.338CS..G310 helixtrans-63.7-22.4-177.253.50000113.7K155 F159 D163 A164 V167K155-T157 PolarHBondContact O-N 2.91Å; T157-F159 PolarHBondContact O-N 3.23Å; T157-D163 HydrophobicContact CG2-CB 4.11Å; T157-A164 WeakPolarHBondContact O-CA 2.98Å; T157-A164 WeakPolarHBondContact O-CB 3.42Å; T157-A164 PolarHBondContact O-N 2.9Å; T157-A164 VanDerWaalsContact O-N 3.09Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å
158D89.9Confident92.7Very high74 Ų7467.8 Ų67.840%0.39634%0.342SS..G310 helixtrans-74.3-8.3-174.2-55.9-28.9000112.8K155 K156K155-D158 WeakPolarHBondContact CB-OD2 2.97Å; K155-D158 PolarHBondContact N-OD2 3.44Å; K155-D158 PolarHBondContact O-N 3.31Å; K156-D158 PolarHBondContact O-N 3.27Å
159F88.9Confident92.3Very high61 Ų6168 Ų6827%0.26835%0.345SS..THydrogen-bonded Turntrans-111.9-20.9-174.3-58.5-85.7000113.2R76 V154 K155 K156 T157R76-F159 HydrophobicContact CB-CD1 3.81Å; R76-F159 HydrophobicContact CB-CD2 4.37Å; R76-F159 HydrophobicContact CB-CE1 3.22Å; R76-F159 HydrophobicContact CB-CE2 3.82Å; R76-F159 HydrophobicContact CB-CG 4.35Å; R76-F159 HydrophobicContact CB-CZ 3.2Å; R76-F159 HydrophobicContact CG-CD1 4.45Å; R76-F159 HydrophobicContact CG-CD2 4.46Å; R76-F159 HydrophobicContact CG-CE1 4.22Å; R76-F159 HydrophobicContact CG-CE2 4.18Å; R76-F159 HydrophobicContact CG-CZ 4.06Å; V154-F159 HydrophobicContact CG1-CE2 3.59Å; V154-F159 HydrophobicContact CG1-CZ 3.68Å; K155-F159 VanDerWaalsContact O-CD2 3.22Å; K155-F159 WeakPolarHBondContact O-CD2 3.42Å; K155-F159 VanDerWaalsContact O-CE2 3.23Å; K155-F159 WeakPolarHBondContact O-CE2 3.42Å; K156-F159 PolarHBondContact O-N 3.5Å; T157-F159 PolarHBondContact O-N 3.23Å
160E91.7Very high91.7Very high119 Ų11974.3 Ų74.356%0.55638%0.375SS*.SBendtrans-92.9113.2170.3-70.2-57.3148.100108.6F162 D163 A164E160-F162 PolarHBondContact O-N 3.44Å; E160-F162 VanDerWaalsContact O-N 3.15Å; E160-D163 HydrophobicContact CB-CB 4.02Å; E160-D163 PolarHBondContact O-N 3.42Å; E160-A164 PolarHBondContact O-N 3.09Å
161V91.7Very high91Very high99 Ų9981.1 Ų81.160%0.640%0.404SS*.Hα-helixtrans-56.1-39.8-169.7177.60000112.2L165V161-L165 HydrophobicContact CG1-CD1 3.99Å; V161-L165 HydrophobicContact CG1-CG 4.48Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.22Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.19Å
162F92.1Very high89.9Confident170 Ų17082.4 Ų82.475%0.74642%0.416SS*.Hα-helixtrans-69.4-37.3179.1-64.1-64.4000112.6E160 M166E160-F162 PolarHBondContact O-N 3.44Å; E160-F162 VanDerWaalsContact O-N 3.15Å; F162-M166 VanDerWaalsContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CB 3.4Å; F162-M166 PolarHBondContact O-N 3.45Å
163D92Very high88.1Confident64 Ų6485.2 Ų85.234%0.34244%0.439SS..Hα-helixtrans-71.4-42.1178.5-68.1-16.6000111.1T157 E160 L165 M166 V167T157-D163 HydrophobicContact CG2-CB 4.11Å; E160-D163 HydrophobicContact CB-CB 4.02Å; E160-D163 PolarHBondContact O-N 3.42Å; D163-L165 PolarHBondContact O-N 2.92Å; D163-M166 PolarHBondContact O-N 3.04Å; D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.2Å
164A92.4Very high86.2Confident22 Ų2286.6 Ų86.618%0.18245%0.45CS..Hα-helixtrans-57.9-49.7174.100000111T157 E160 M166 V167 D168T157-A164 WeakPolarHBondContact O-CA 2.98Å; T157-A164 WeakPolarHBondContact O-CB 3.42Å; T157-A164 PolarHBondContact O-N 2.9Å; T157-A164 VanDerWaalsContact O-N 3.09Å; E160-A164 PolarHBondContact O-N 3.09Å; A164-M166 VanDerWaalsContact C-N 3.33Å; A164-M166 PolarHBondContact O-N 3.25Å; A164-V167 PolarHBondContact O-N 3.02Å; A164-D168 PolarHBondContact O-N 3.3Å
165L91.6Very high84.3Confident108 Ų10889.7 Ų89.757%0.56547%0.468SS*.Hα-helixtrans-62.8-39177.6-73.1173.7000112.3V161 D163 D168 S169V161-L165 HydrophobicContact CG1-CD1 3.99Å; V161-L165 HydrophobicContact CG1-CG 4.48Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.22Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.19Å; D163-L165 PolarHBondContact O-N 2.92Å; L165-D168 PolarHBondContact O-N 3.14Å; L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.19Å; L165-S169 PolarHBondContact O-OG 3.15Å
166M88.9Confident82.4Confident97 Ų9787.8 Ų87.848%0.47847%0.467SS..Hα-helixtrans-62.9-48176.4177.2174.254.600111.2F162 D163 A164 D168 S169 Q170F162-M166 VanDerWaalsContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CB 3.4Å; F162-M166 PolarHBondContact O-N 3.45Å; D163-M166 PolarHBondContact O-N 3.04Å; A164-M166 VanDerWaalsContact C-N 3.33Å; A164-M166 PolarHBondContact O-N 3.25Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 3.35Å; M166-S169 PolarHBondContact O-N 2.99Å; M166-S169 PolarHBondContact O-OG 2.77Å; M166-Q170 WeakPolarHBondContact O-CG 3.17Å; M166-Q170 PolarHBondContact O-N 3.37Å
167V89.3Confident80.6Confident34 Ų3487.9 Ų87.921%0.20647%0.474CS..Hα-helixtrans-61.3-42178.4169.60000111.1T157 D163 A164 Q170 K171T157-V167 HydrophobicContact CG2-CG2 4.35Å; D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.2Å; A164-V167 PolarHBondContact O-N 3.02Å; V167-Q170 PolarHBondContact O-N 3.08Å; V167-K171 PolarHBondContact O-N 3.31Å
168D89.2Confident78.9Confident85 Ų8593.2 Ų93.246%0.45550%0.5SS..Hα-helixtrans-71.6-36.1-179.7-74.5-15.8000112.7A164 L165 M166 Q170 K171 S172A164-D168 PolarHBondContact O-N 3.3Å; L165-D168 PolarHBondContact O-N 3.14Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 3.35Å; D168-Q170 PolarHBondContact O-N 3.06Å; D168-K171 PolarHBondContact O-N 3.09Å; D168-K171 VanDerWaalsContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 2.84Å; D168-K171 PolarHBondContact OD1-NZ 3.32Å; D168-S172 PolarHBondContact O-N 3.22Å; D168-S172 VanDerWaalsContact O-N 3.09Å
169S87.6Confident77.5Confident50 Ų5092.8 Ų92.835%0.3550%0.503SS..Hα-helixtrans-61.5-2917574.30000113.1L165 M166 S172L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.19Å; L165-S169 PolarHBondContact O-OG 3.15Å; M166-S169 PolarHBondContact O-N 2.99Å; M166-S169 PolarHBondContact O-OG 2.77Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 PolarHBondContact O-OG 3.45Å
170Q85.2Confident76.2Confident144 Ų14496 Ų9667%0.67353%0.533SS*.Hα-helixtrans-77.7-29.2176.2-68.1176.62.200112.4M166 V167 D168M166-Q170 WeakPolarHBondContact O-CG 3.17Å; M166-Q170 PolarHBondContact O-N 3.37Å; V167-Q170 PolarHBondContact O-N 3.08Å; D168-Q170 PolarHBondContact O-N 3.06Å
171K82.9Confident75Confident143 Ų14392.9 Ų92.962%0.62253%0.525SS*.Hα-helixtrans-72.1-37.1174.5-65.2173.6-164.9153.10111V167 D168 S173V167-K171 PolarHBondContact O-N 3.31Å; D168-K171 PolarHBondContact O-N 3.09Å; D168-K171 VanDerWaalsContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 2.84Å; D168-K171 PolarHBondContact OD1-NZ 3.32Å; K171-S173 PolarHBondContact O-N 2.82Å; K171-S173 VanDerWaalsContact O-N 3.13Å
172S73.3Confident74Confident61 Ų6193.1 Ų93.143%0.42753%0.528SS..  trans-82.282.9169.665.80000110D168 S169 D174 V175D168-S172 PolarHBondContact O-N 3.22Å; D168-S172 VanDerWaalsContact O-N 3.09Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 PolarHBondContact O-OG 3.45Å; S172-D174 PolarHBondContact O-N 3.25Å; S172-V175 PolarHBondContact O-N 3.32Å
173S59.2Low73.2Confident102 Ų10289.8 Ų89.871%0.71352%0.523SS*.G310 helixtrans-58.92.6172.351.30000115.2K171 V175K171-S173 PolarHBondContact O-N 2.82Å; K171-S173 VanDerWaalsContact O-N 3.13Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 3.36Å
174D56Low72.7Confident119 Ų11989.5 Ų89.564%0.63654%0.536SS*.G310 helixtrans-83.18.9175.9-133.49.5000113.9S172 S176 D177S172-D174 PolarHBondContact O-N 3.25Å; D174-S176 PolarHBondContact O-N 3.44Å; D174-D177 PolarHBondContact O-N 3.13Å
175V55.6Low72.5Confident67 Ų6793.9 Ų93.941%0.40656%0.563SS.*G310 helixtrans-68.2-10.9174.7-66.70000113.5S172 S173 D177 L178S172-V175 PolarHBondContact O-N 3.32Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 3.36Å; V175-D177 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.14Å; V175-L178 VanDerWaalsContact O-N 3.1Å
176S53.1Low72.4Confident58 Ų5898.8 Ų98.841%0.40658%0.575SS.*G310 helixtrans-55.5-30.2174.2-51.80000112.3D174D174-S176 PolarHBondContact O-N 3.44Å
177D52Low72.4Confident129 Ų129100.5 Ų100.569%0.6958%0.582SS**G310 helixtrans-84.8-9.2-177.7-75.3-5000113.8D174 V175D174-D177 PolarHBondContact O-N 3.13Å; V175-D177 PolarHBondContact O-N 3.34Å
178L54.2Low72.6Confident151 Ų151108.4 Ų108.479%0.79162%0.616SS**THydrogen-bonded Turntrans-97.2-12.8177.4-58.7-179.1000112.9V175 S180V175-L178 PolarHBondContact O-N 3.14Å; V175-L178 VanDerWaalsContact O-N 3.1Å; L178-S180 PolarHBondContact O-N 3.39Å
179S59.6Low72.7Confident65 Ų65110.5 Ų110.546%0.45563%0.628SS.*  trans-69.9125.3173.2174.30000109.6S181S179-S181 WeakPolarHBondContact CB-O 3.41Å; S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.12Å; S179-S181 VanDerWaalsContact OG-N 3.14Å; S179-S181 PolarHBondContact OG-O 3.07Å
180S62.7Low72.8Confident128 Ų128112.4 Ų112.490%0.89565%0.646SS**SBendtrans-65.6-12.9170.658.50000113.1L178L178-S180 PolarHBondContact O-N 3.39Å
181S65.8Low72.9Confident55 Ų55112.4 Ų112.439%0.38564%0.641SS.*SBendtrans-101.3134.7173.2-59.50000109.5S179S179-S181 WeakPolarHBondContact CB-O 3.41Å; S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.12Å; S179-S181 VanDerWaalsContact OG-N 3.14Å; S179-S181 PolarHBondContact OG-O 3.07Å
182P71.1Confident73.1Confident104 Ų104111.1 Ų111.168%0.67565%0.645SS**PPolyproline II helixtrans-50140.2174-25.433.3000111.3
183P76.3Confident73.5Confident99 Ų99112 Ų11264%0.64365%0.649SS**SBendtrans-64.2139.8177.126.3-33.5000110.6
184G81.7Confident74.5Confident59 Ų59113.7 Ų113.761%0.60864%0.644SS**SBendtrans99.4173.3176.100000115
185P87.3Confident75.5Confident114 Ų114115.4 Ų115.474%0.7465%0.648SS**  trans-71.3151.3177.830.2-34.5000111.6H187P185-H187 PolarHBondContact O-N 3.23Å
186Y89Confident76.4Confident211 Ų211118.9 Ų118.983%0.82766%0.664SS**  trans-63.8130.5169.7-68.9-87.2000110.4
187H88.9Confident77.2Confident133 Ų133119.6 Ų119.662%0.61666%0.661SS**  trans-134.4164175.661.377.2000110.8P185 D189P185-H187 PolarHBondContact O-N 3.23Å; H187-D189 PolarHBondContact CE1-O 3.3Å; H187-D189 PolarHBondContact ND1-N 3.2Å; H187-D189 PolarHBondContact ND1-O 3.11Å
188Q93.8Very high77.8Confident200 Ų200120 Ų12094%0.93566%0.657SS**  trans-97.4-7.3179.3-67.3-178.1-13.100113.1A190Q188-A190 PolarHBondContact O-N 2.79Å
189D91.7Very high78.6Confident129 Ų129121.8 Ų121.869%0.6966%0.659SS**SBendtrans-64.8133.7179.8-58-47.9000111H187H187-D189 PolarHBondContact CE1-O 3.3Å; H187-D189 PolarHBondContact ND1-N 3.2Å; H187-D189 PolarHBondContact ND1-O 3.11Å
190A89.1Confident79.8Confident90 Ų90126.1 Ų126.174%0.74467%0.669SS**PPolyproline II helixtrans-65.5137.3177.600000110.8Q188 V192Q188-A190 PolarHBondContact O-N 2.79Å; A190-V192 PolarHBondContact O-N 2.73Å
191Y87Confident81Confident143 Ų143125 Ų12556%0.56166%0.661SS**PPolyproline II helixtrans-65.7131.3175.6-176.9-109.1000111.1E197Y191-E197 WeakPolarHBondContact CE1-OE2 3.38Å; Y191-E197 PolarHBondContact OH-OE2 2.96Å
192V87.4Confident82.2Confident117 Ų117127.6 Ų127.671%0.70968%0.677SS**  trans-102.2113175-178.20000108.8A190 K194A190-V192 PolarHBondContact O-N 2.73Å; V192-K194 PolarHBondContact O-N 3.33Å
193P81.2Confident83.2Confident78 Ų78128.6 Ų128.651%0.50668%0.684SS.*  trans-60.3128.6-177.9-24.133.6000112.7
194K82.2Confident84.2Confident139 Ų139131.5 Ų131.560%0.60469%0.692SS**  trans-68.7153.4172.3-63.5177.2-176.1172.80110.2V192 D196 E197V192-K194 PolarHBondContact O-N 3.33Å; K194-D196 PolarHBondContact O-N 3.35Å; K194-E197 HydrophobicContact CB-CG 4.44Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.09Å
195Q76.7Confident84.9Confident154 Ų154133.7 Ų133.772%0.7269%0.689SS**G310 helixtrans-57.5-35.6-178.6-73.8-174.5-29.400112.8E197 K198Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.45Å; Q195-K198 PolarHBondContact O-N 3.41Å
196D73.5Confident85.4Confident141 Ų141131.2 Ų131.275%0.75467%0.673SS**G310 helixtrans-73.8-15.5179.9-55.5-41.2000114.2K194K194-D196 PolarHBondContact O-N 3.35Å
197E71.1Confident85.8Confident73 Ų73125.3 Ų125.334%0.34166%0.66SS.*G310 helixtrans-95.3-12.8179.7-66.3-170.2149.900113.2Y191 K194 Q195 F199 K200Y191-E197 WeakPolarHBondContact CE1-OE2 3.38Å; Y191-E197 PolarHBondContact OH-OE2 2.96Å; K194-E197 HydrophobicContact CB-CG 4.44Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.09Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.45Å; E197-F199 PolarHBondContact O-N 3.14Å; E197-K200 PolarHBondContact O-N 2.84Å
198K64.3Low86.2Confident138 Ų138123 Ų12360%0.665%0.65SS**THydrogen-bonded Turntrans-59.6-18.8-178-70.9-176.2179.1-176.40113.8Q195Q195-K198 PolarHBondContact O-N 3.41Å
199F71.4Confident86.3Confident188 Ų188114.9 Ų114.983%0.82561%0.613SS**THydrogen-bonded Turntrans-104.80.8-178.3-57.4-74.6000113.8E197 S201E197-F199 PolarHBondContact O-N 3.14Å; F199-S201 PolarHBondContact O-N 3.22Å
200K83.9Confident86.6Confident155 Ų155114.4 Ų114.467%0.67461%0.609SS**  trans-86113.8176.9-63.9-175.4-178.1179.90109.2E197E197-K200 PolarHBondContact O-N 2.84Å
201S87.8Confident86.8Confident104 Ų104114.9 Ų114.973%0.72760%0.596SS**PPolyproline II helixtrans-69.8148.8170.255.50000110.6F199F199-S201 PolarHBondContact O-N 3.22Å
202P90.6Very high87.2Confident110 Ų110109.6 Ų109.671%0.71458%0.579SS**PPolyproline II helixtrans-59152.1172.326.8-34.7000110.7
203P93.4Very high87.6Confident126 Ų126104.3 Ų104.382%0.81855%0.547SS*.PPolyproline II helixtrans-62.1146.5178.326.8-34.3000111
204I96.9Very high88.2Confident160 Ų160103.7 Ų103.782%0.82154%0.539SS*.PPolyproline II helixtrans-66.3137.1176.2-59.7170.9000109P206I204-P206 WeakPolarHBondContact O-CD 3.49Å
205L96.4Very high88.8Confident104 Ų104102.8 Ų102.855%0.54554%0.54SS..PPolyproline II helixtrans-57.9122176.8179.467.1000110.7L209 L210L205-L209 HydrophobicContact CD1-CB 4.35Å; L205-L209 HydrophobicContact CD1-CD1 3.92Å; L205-L210 HydrophobicContact CD2-CD2 3.73Å; L205-L210 HydrophobicContact CD2-CG 4.27Å
206P97.2Very high89.6Confident62 Ų62100.1 Ų100.140%0.40353%0.527SS..PPolyproline II helixtrans-61.9128.3175.4-24.234.7000111I204 H208 L209I204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-H208 PolarHBondContact O-N 2.76Å; P206-L209 PolarHBondContact O-N 3.21Å; P206-L209 VanDerWaalsContact O-N 3.08Å
207P97.3Very high90.4Very high87 Ų87101.4 Ų101.457%0.56553%0.533SS*.G310 helixtrans-64.3-19.5-174.325.1-35.1000113.4L209 L210P207-L209 PolarHBondContact O-N 2.98Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-L210 VanDerWaalsContact O-N 3.09Å
208H97Very high91.2Very high85 Ų85100.8 Ų100.839%0.39454%0.535SS..G310 helixtrans-59.6-32.3174.8-61.594.1000112.9P206 L210 Q211P206-H208 PolarHBondContact O-N 2.76Å; H208-L210 PolarHBondContact O-N 3.18Å; H208-Q211 PolarHBondContact O-N 3.35Å
209L97.1Very high92.3Very high29 Ų2996.4 Ų96.415%0.15253%0.529CS..G310 helixtrans-73.2-11.8178.6-60.5-176.5000112.8L205 P206 P207 Q211 M234 H237 Y239L205-L209 HydrophobicContact CD1-CB 4.35Å; L205-L209 HydrophobicContact CD1-CD1 3.92Å; P206-L209 PolarHBondContact O-N 3.21Å; P206-L209 VanDerWaalsContact O-N 3.08Å; P207-L209 PolarHBondContact O-N 2.98Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; L209-M234 HydrophobicContact CD2-CB 4.44Å; L209-H237 HydrophobicContact CD2-CB 4.44Å; L209-Y239 WeakPolarHBondContact O-CE1 3.26Å; L209-Y239 PolarHBondContact O-OH 2.84Å
210L96.6Very high93.1Very high119 Ų11996.2 Ų96.262%0.62353%0.534SS*.G310 helixtrans-83.5-12.6174.6-58.3174.8000112.2L205 P207 H208 V212L205-L210 HydrophobicContact CD2-CD2 3.73Å; L205-L210 HydrophobicContact CD2-CG 4.27Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-L210 VanDerWaalsContact O-N 3.09Å; H208-L210 PolarHBondContact O-N 3.18Å; L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.37Å
211Q94.1Very high93.4Very high100 Ų10094.8 Ų94.847%0.46754%0.544SS..  trans-86.665.1-177.3-61.3-174.95.900112.2H208 L209 I213 M234H208-Q211 PolarHBondContact O-N 3.35Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-I213 PolarHBondContact O-N 3.31Å; Q211-M234 WeakPolarHBondContact O-CE 3.11Å
212V94.9Very high93.6Very high32 Ų3292.3 Ų92.319%0.19453%0.526CS..  trans-58.3120.3-176.3-171.30000111.6L210 L214 N215 Y239L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.37Å; V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 HydrophobicContact CG1-CB 4.38Å; V212-L214 PolarHBondContact O-N 3.05Å; V212-N215 HydrophobicContact CB-CB 4.12Å; V212-N215 HydrophobicContact CG1-CB 4.45Å; V212-N215 PolarHBondContact O-N 3.48Å; V212-Y239 HydrophobicContact CB-CD1 4.38Å; V212-Y239 HydrophobicContact CB-CE1 4.38Å; V212-Y239 HydrophobicContact CG1-CD1 4Å; V212-Y239 HydrophobicContact CG1-CE1 4.39Å; V212-Y239 HydrophobicContact CG1-CG 4.39Å; V212-Y239 HydrophobicContact CG2-CD1 3.77Å; V212-Y239 HydrophobicContact CG2-CE1 3.75Å
213I95.4Very high93.8Very high6 Ų691.5 Ų91.53%0.03152%0.516CS..G310 helixtrans-64.4-34.4-176.6-170.8166.3000113.1Q211 N215 K216 L227 P228 P230 M234Q211-I213 PolarHBondContact O-N 3.31Å; I213-N215 VanDerWaalsContact C-N 3.25Å; I213-N215 PolarHBondContact O-N 3.46Å; I213-K216 PolarHBondContact O-N 2.84Å; I213-L227 HydrophobicContact CD1-CB 4.03Å; I213-L227 HydrophobicContact CD1-CD1 4.48Å; I213-L227 HydrophobicContact CG1-CB 4.34Å; I213-P228 HydrophobicContact CD1-CG 4.28Å; I213-P228 VanDerWaalsContact CD1-O 3.26Å; I213-P228 WeakPolarHBondContact CD1-O 3.22Å; I213-P228 HydrophobicContact CG1-CG 4.04Å; I213-P230 HydrophobicContact CD1-CB 3.95Å; I213-M234 HydrophobicContact CB-CE 4.35Å; I213-M234 HydrophobicContact CB-SD 4.28Å; I213-M234 HydrophobicContact CG2-SD 4.47Å
214L95.6Very high93.8Very high65 Ų6591.3 Ų91.334%0.3451%0.514SS..G310 helixtrans-74.4-14.2179.3-65.5175.8000113.4V212 L227 T262 L264V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 HydrophobicContact CG1-CB 4.38Å; V212-L214 PolarHBondContact O-N 3.05Å; L214-L227 HydrophobicContact CD2-CD1 3.91Å; L214-L227 HydrophobicContact CD2-CD2 4.23Å; L214-T262 HydrophobicContact CD1-CG2 3.99Å; L214-T262 HydrophobicContact CD2-CG2 3.95Å; L214-T262 HydrophobicContact CG-CG2 4.06Å; L214-L264 HydrophobicContact CD1-CD1 3.98Å; L214-L264 HydrophobicContact CD1-CD2 4.39Å; L214-L264 HydrophobicContact CD1-CG 4.26Å; L214-L264 HydrophobicContact CD2-CD1 4.36Å
215N94.8Very high93.7Very high120 Ų12087.6 Ų87.664%0.64251%0.508SS*.G310 helixtrans-92.80.9175.8-66-3.6000112.2V212 I213V212-N215 HydrophobicContact CB-CB 4.12Å; V212-N215 HydrophobicContact CG1-CB 4.45Å; V212-N215 PolarHBondContact O-N 3.48Å; I213-N215 VanDerWaalsContact C-N 3.25Å; I213-N215 PolarHBondContact O-N 3.46Å
216K91.9Very high93.6Very high99 Ų9987.4 Ų87.443%0.4351%0.507SS..SBendtrans-90.1128.4177.5-64.8-174.8178.6-177.20109.3I213 T218 P228I213-K216 PolarHBondContact O-N 2.84Å; K216-T218 PolarHBondContact O-N 2.83Å; K216-P228 HydrophobicContact CD-CG 4.39Å
217D90.4Very high93.6Very high167 Ų16787.7 Ų87.789%0.89350%0.504SS*.PPolyproline II helixtrans-66.2134.1171.7-63.1-47.3000110.3
218T88.8Confident93.5Very high60 Ų6086.1 Ų86.137%0.36850%0.495SS..PPolyproline II helixtrans-96.7152171.155.50000109.8K216 I220K216-T218 PolarHBondContact O-N 2.83Å; T218-I220 PolarHBondContact O-N 3.14Å
219G86.7Confident93.4Very high46 Ų4689.5 Ų89.547%0.47451%0.51SS..PPolyproline II helixtrans-61.8134.9179.700000111.2S221 C222G219-S221 PolarHBondContact O-N 3.45Å; G219-C222 PolarHBondContact O-N 2.72Å; G219-C222 PolarHBondContact O-SG 3.31Å
220I88.3Confident93.5Very high184 Ų18488.7 Ų88.794%0.94451%0.507SS*.THydrogen-bonded Turntrans-58.4-19.1-174.9-34.8163.7000112.6T218T218-I220 PolarHBondContact O-N 3.14Å
221S91.1Very high93.5Very high125 Ų12586 Ų8687%0.87449%0.493SS*.THydrogen-bonded Turntrans-86.3-8.2-179.162.10000115G219G219-S221 PolarHBondContact O-N 3.45Å
222C91.1Very high93.6Very high53 Ų5387.4 Ų87.436%0.35850%0.499SS..SBendtrans-100.7162.7-17870.50000112.5G219G219-C222 PolarHBondContact O-N 2.72Å; G219-C222 PolarHBondContact O-SG 3.31Å
223D94.4Very high93.8Very high93 Ų9388.7 Ų88.750%0.49751%0.507SS..  trans-59.7128.3176175.9-15.9000110.2A225 L226D223-A225 PolarHBondContact O-N 2.92Å; D223-A225 VanDerWaalsContact O-N 3.1Å; D223-A225 WeakPolarHBondContact OD1-CB 3.43Å; D223-A225 PolarHBondContact OD1-N 2.98Å; D223-L226 HydrophobicContact CB-CD1 3.81Å; D223-L226 HydrophobicContact CB-CG 3.89Å; D223-L226 WeakPolarHBondContact O-CB 3.06Å; D223-L226 PolarHBondContact O-N 2.84Å
224P93.5Very high93.8Very high121 Ų12188.8 Ų88.879%0.78651%0.508SS*.THydrogen-bonded Turntrans-57.8-21.9-179.4-25.534.4000115.5L226P224-L226 VanDerWaalsContact C-N 3.3Å
225A94.5Very high93.9Very high83 Ų8386.4 Ų86.469%0.68650%0.495SS*.THydrogen-bonded Turntrans-81.3-10.2176.700000113.2D223D223-A225 PolarHBondContact O-N 2.92Å; D223-A225 VanDerWaalsContact O-N 3.1Å; D223-A225 WeakPolarHBondContact OD1-CB 3.43Å; D223-A225 PolarHBondContact OD1-N 2.98Å
226L95.6Very high94Very high99 Ų9986.3 Ų86.352%0.51849%0.494SS..  trans-84.2132.9178.7-64.5176.6000110.9D223 P224D223-L226 HydrophobicContact CB-CD1 3.81Å; D223-L226 HydrophobicContact CB-CG 3.89Å; D223-L226 WeakPolarHBondContact O-CB 3.06Å; D223-L226 PolarHBondContact O-N 2.84Å; P224-L226 VanDerWaalsContact C-N 3.3Å
227L96.1Very high94.3Very high68 Ų6885.4 Ų85.436%0.35649%0.492SS..  trans-114.5154.6173.3-66.3175000109.6I213 L214 T262I213-L227 HydrophobicContact CD1-CB 4.03Å; I213-L227 HydrophobicContact CD1-CD1 4.48Å; I213-L227 HydrophobicContact CG1-CB 4.34Å; L214-L227 HydrophobicContact CD2-CD1 3.91Å; L214-L227 HydrophobicContact CD2-CD2 4.23Å; L227-T262 HydrophobicContact CD1-CG2 4.35Å; L227-T262 WeakPolarHBondContact CD1-OG1 3.37Å
228P95.3Very high94.7Very high55 Ų5583.2 Ų83.236%0.35748%0.479SS..PPolyproline II helixtrans-62.8165.1172.528.1-35.4000111.4I213 K216 P230I213-P228 HydrophobicContact CD1-CG 4.28Å; I213-P228 VanDerWaalsContact CD1-O 3.26Å; I213-P228 WeakPolarHBondContact CD1-O 3.22Å; I213-P228 HydrophobicContact CG1-CG 4.04Å; K216-P228 HydrophobicContact CD-CG 4.39Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å
229E96.3Very high95.1Very high155 Ų15581.9 Ų81.972%0.72447%0.468SS*.PPolyproline II helixtrans-64.3124.4175.8-173.5171-173.900110.9Y260E229-Y260 HydrophobicContact CG-CD2 4.49Å; E229-Y260 HydrophobicContact CG-CE2 3.92Å
230P97.2Very high95.7Very high12 Ų1283 Ų838%0.07847%0.472CS..PPolyproline II helixtrans-75.2153177.730.8-35.2000111.7I213 P228 M234 L235 T253 Y260I213-P230 HydrophobicContact CD1-CB 3.95Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-M234 HydrophobicContact CB-CG 4.24Å; P230-M234 HydrophobicContact CB-SD 3.76Å; P230-L235 HydrophobicContact CB-CD2 4.13Å; P230-L235 HydrophobicContact CG-CD2 3.91Å; P230-T253 HydrophobicContact CB-CG2 4.32Å; P230-T253 HydrophobicContact CG-CG2 4.08Å; P230-Y260 HydrophobicContact CG-CD1 3.69Å; P230-Y260 HydrophobicContact CG-CD2 3.93Å; P230-Y260 HydrophobicContact CG-CE1 4.18Å; P230-Y260 HydrophobicContact CG-CE2 4.39Å; P230-Y260 HydrophobicContact CG-CG 3.54Å
231N97Very high96.1Very high62 Ų6279.5 Ų79.533%0.33246%0.455SS..PPolyproline II helixtrans-70.2137166.6-170.9-32.4000109.6V233 M234N231-V233 PolarHBondContact O-N 3.12Å; N231-V233 VanDerWaalsContact O-N 3.11Å; N231-V233 PolarHBondContact OD1-N 3.18Å; N231-M234 HydrophobicContact CB-CG 4.43Å; N231-M234 WeakPolarHBondContact O-CG 3.28Å; N231-M234 PolarHBondContact O-N 3.41Å; N231-M234 VanDerWaalsContact O-N 3.12Å
232H97.3Very high96.3Very high131 Ų13178.5 Ų78.561%0.60645%0.448SS*.G310 helixtrans-57.3-29.2-178.670.1-85.1000113.6M234 L235H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 2.87Å; H232-L235 HydrophobicContact CB-CD1 4.49Å; H232-L235 WeakPolarHBondContact O-CB 3.45Å; H232-L235 WeakPolarHBondContact O-CG 3.2Å; H232-L235 PolarHBondContact O-N 2.75Å
233V97.5Very high96.6Very high59 Ų5980.4 Ų80.436%0.35845%0.454SS..G310 helixtrans-70.2-25-179-177.70000112.9N231 H237N231-V233 PolarHBondContact O-N 3.12Å; N231-V233 VanDerWaalsContact O-N 3.11Å; N231-V233 PolarHBondContact OD1-N 3.18Å; V233-H237 PolarHBondContact O-CD2 2.8Å; V233-H237 PolarHBondContact O-NE2 3.02Å
234M96.8Very high96.7Very high8 Ų883.2 Ų83.24%0.03946%0.461CS..G310 helixtrans-86.8-6.8179.362.7144.14500113.9L209 Q211 I213 P230 N231 H232 H237L209-M234 HydrophobicContact CD2-CB 4.44Å; Q211-M234 WeakPolarHBondContact O-CE 3.11Å; I213-M234 HydrophobicContact CB-CE 4.35Å; I213-M234 HydrophobicContact CB-SD 4.28Å; I213-M234 HydrophobicContact CG2-SD 4.47Å; P230-M234 HydrophobicContact CB-CG 4.24Å; P230-M234 HydrophobicContact CB-SD 3.76Å; N231-M234 HydrophobicContact CB-CG 4.43Å; N231-M234 WeakPolarHBondContact O-CG 3.28Å; N231-M234 PolarHBondContact O-N 3.41Å; N231-M234 VanDerWaalsContact O-N 3.12Å; H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 2.87Å; M234-H237 PolarHBondContact O-N 2.91Å
235L97.5Very high96.7Very high14 Ų1485.3 Ų85.37%0.07347%0.466CS..THydrogen-bonded Turntrans-67.3147.7179.8-57.6177.5000110P230 H232 H237 T253 R255 Y260P230-L235 HydrophobicContact CB-CD2 4.13Å; P230-L235 HydrophobicContact CG-CD2 3.91Å; H232-L235 HydrophobicContact CB-CD1 4.49Å; H232-L235 WeakPolarHBondContact O-CB 3.45Å; H232-L235 WeakPolarHBondContact O-CG 3.2Å; H232-L235 PolarHBondContact O-N 2.75Å; L235-H237 PolarHBondContact O-CD2 2.99Å; L235-H237 PolarHBondContact O-N 2.95Å; L235-H237 VanDerWaalsContact O-N 3.13Å; L235-T253 WeakPolarHBondContact CA-O 3.49Å; L235-T253 HydrophobicContact CD2-CG2 3.52Å; L235-R255 HydrophobicContact CD1-CB 4.17Å; L235-Y260 HydrophobicContact CD1-CD1 4.09Å; L235-Y260 HydrophobicContact CD1-CE1 3.83Å; L235-Y260 HydrophobicContact CD2-CD1 4.02Å; L235-Y260 HydrophobicContact CD2-CE1 4.47Å
236N97.6Very high96.8Very high118 Ų11883.4 Ų83.463%0.63145%0.454SS*.THydrogen-bonded Turntrans64.25.5-177.5-44.6-38000115.1T253 H254N236-T253 PolarHBondContact N-O 3.27Å; N236-H254 PolarHBondContact OD1-CD2 3.43Å
237H98.1Very high96.9Very high80 Ų8081 Ų8137%0.3744%0.444SS..  trans-86.4138169.5-70.8-90.3000111.1L209 V233 M234 L235 Y239L209-H237 HydrophobicContact CD2-CB 4.44Å; V233-H237 PolarHBondContact O-CD2 2.8Å; V233-H237 PolarHBondContact O-NE2 3.02Å; M234-H237 PolarHBondContact O-N 2.91Å; L235-H237 PolarHBondContact O-CD2 2.99Å; L235-H237 PolarHBondContact O-N 2.95Å; L235-H237 VanDerWaalsContact O-N 3.13Å; H237-Y239 HydrophobicContact CB-CE2 4.2Å
238L98.2Very high96.9Very high121 Ų12180.9 Ų80.963%0.63444%0.442SS*.EExtended strand (participates in β ladder)trans-82.3127.1177.4-171.972.5000110.5L250L238-L250 HydrophobicContact CD1-CB 4.15Å; L238-L250 HydrophobicContact CD1-CD2 4.37Å; L238-L250 HydrophobicContact CD2-CD2 4.26Å; L238-L250 HydrophobicContact CG-CD2 4.49Å
239Y97.9Very high97.1Very high33 Ų3379.1 Ų79.113%0.12943%0.431CS..EExtended strand (participates in β ladder)trans-113.4135.8168.1-63.3-89.1000109L209 V212 H237 S251L209-Y239 WeakPolarHBondContact O-CE1 3.26Å; L209-Y239 PolarHBondContact O-OH 2.84Å; V212-Y239 HydrophobicContact CB-CD1 4.38Å; V212-Y239 HydrophobicContact CB-CE1 4.38Å; V212-Y239 HydrophobicContact CG1-CD1 4Å; V212-Y239 HydrophobicContact CG1-CE1 4.39Å; V212-Y239 HydrophobicContact CG1-CG 4.39Å; V212-Y239 HydrophobicContact CG2-CD1 3.77Å; V212-Y239 HydrophobicContact CG2-CE1 3.75Å; H237-Y239 HydrophobicContact CB-CE2 4.2Å; Y239-S251 WeakPolarHBondContact CB-OG 3.37Å; Y239-S251 PolarHBondContact N-O 3.21Å; Y239-S251 PolarHBondContact O-N 3.46Å; Y239-S251 PolarHBondContact O-OG 3.28Å
240A97.6Very high97.2Very high69 Ų6973.9 Ų73.957%0.5741%0.407SS*.EExtended strand (participates in β ladder)trans-129.7145.4-179.100000110.5V249 L250A240-V249 WeakPolarHBondContact CA-O 3.48Å; A240-L250 HydrophobicContact CB-CD2 3.66Å
241L96.8Very high97.2Very high110 Ų11074 Ų7458%0.57641%0.408SS*.PPolyproline II helixtrans-86.7155164.2-67.7175.5000109.8I243 V249L241-I243 PolarHBondContact O-N 2.86Å; L241-V249 HydrophobicContact CB-CB 4.3Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG1 4.31Å; L241-V249 PolarHBondContact N-O 2.78Å; L241-V249 VanDerWaalsContact N-O 3.14Å
242S96.9Very high97.3Very high104 Ų10471.8 Ų71.873%0.72740%0.398SS*.PPolyproline II helixtrans-58132.1167.8-53.40000109.6K244S242-K244 PolarHBondContact O-N 2.9Å
243I96.6Very high97.3Very high93 Ų9365.6 Ų65.648%0.47737%0.37SS..PPolyproline II helixtrans-58.7131.7179.3-63.7158.6000109.4L241 M248 I269L241-I243 PolarHBondContact O-N 2.86Å; I243-M248 HydrophobicContact CD1-CE 4.27Å; I243-M248 HydrophobicContact CG1-CB 4.4Å; I243-M248 HydrophobicContact CG1-CG 4.41Å; I243-I269 HydrophobicContact CB-CD1 4.31Å; I243-I269 HydrophobicContact CD1-CD1 3.48Å; I243-I269 VanDerWaalsContact CD1-CD1 3.48Å; I243-I269 HydrophobicContact CG1-CD1 3.81Å; I243-I269 HydrophobicContact CG2-CD1 3.52Å
244K95.6Very high97.4Very high152 Ų15267 Ų6766%0.66137%0.372SS*.BIsolated β-bridgetrans-139144.9175.3-68.1-176.6-178.7-179.10109.3S242 G246 V247S242-K244 PolarHBondContact O-N 2.9Å; K244-G246 PolarHBondContact O-N 3.5Å; K244-G246 VanDerWaalsContact O-N 3.14Å; K244-V247 PolarHBondContact N-O 2.83Å; K244-V247 PolarHBondContact O-N 2.9Å
245D95.4Very high97.4Very high165 Ų16572.5 Ų72.588%0.88239%0.393SS*.THydrogen-bonded Turntrans53.135.6175.6-52-40.7000114.7V247D245-V247 PolarHBondContact O-N 3.08Å
246G95.5Very high97.5Very high43 Ų4379.1 Ų79.144%0.44342%0.418SS..THydrogen-bonded Turntrans72.111.9-179.900000114.6K244 P268 I269K244-G246 PolarHBondContact O-N 3.5Å; K244-G246 VanDerWaalsContact O-N 3.14Å; G246-P268 WeakPolarHBondContact O-CA 3.48Å; G246-I269 PolarHBondContact O-N 3.3Å
247V97.4Very high97.4Very high49 Ų4981.4 Ų81.430%0.29742%0.422SS..EExtended strand (participates in β ladder)trans-116.2128.5-179.6-177.40000110.8K244 D245 V249 Y266K244-V247 PolarHBondContact N-O 2.83Å; K244-V247 PolarHBondContact O-N 2.9Å; D245-V247 PolarHBondContact O-N 3.08Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å; V247-Y266 HydrophobicContact CG1-CD1 4.08Å
248M97.3Very high97.4Very high65 Ų6587 Ų8732%0.3245%0.445SS..EExtended strand (participates in β ladder)trans-89.1134.3167.8-172.2-176.2-67.500109.8I243 L250 Y266 K267 I269I243-M248 HydrophobicContact CD1-CE 4.27Å; I243-M248 HydrophobicContact CG1-CB 4.4Å; I243-M248 HydrophobicContact CG1-CG 4.41Å; M248-L250 HydrophobicContact CG-CD2 4.06Å; M248-L250 HydrophobicContact CG-CG 4.03Å; M248-L250 HydrophobicContact SD-CD1 3.87Å; M248-L250 HydrophobicContact SD-CD2 3.94Å; M248-L250 HydrophobicContact SD-CG 3.9Å; M248-Y266 WeakPolarHBondContact O-CA 3.37Å; M248-K267 PolarHBondContact N-O 3.24Å; M248-K267 PolarHBondContact O-N 3.44Å; M248-I269 HydrophobicContact CB-CD1 3.99Å; M248-I269 HydrophobicContact CB-CG1 4.03Å; M248-I269 HydrophobicContact CE-CD1 4.05Å; M248-I269 HydrophobicContact CE-CG1 4.46Å
249V98.1Very high97.4Very high19 Ų1988.8 Ų88.812%0.11545%0.448CS..EExtended strand (participates in β ladder)trans-118.7116.6174.4-169.60000109.4A240 L241 V247 L265 Y266A240-V249 WeakPolarHBondContact CA-O 3.48Å; L241-V249 HydrophobicContact CB-CB 4.3Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG1 4.31Å; L241-V249 PolarHBondContact N-O 2.78Å; L241-V249 VanDerWaalsContact N-O 3.14Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å; V249-L265 WeakPolarHBondContact CA-O 3.27Å; V249-Y266 HydrophobicContact CB-CD1 4.41Å; V249-Y266 HydrophobicContact CB-CE1 4.26Å; V249-Y266 HydrophobicContact CG1-CD1 4.22Å; V249-Y266 HydrophobicContact CG1-CD2 4.39Å; V249-Y266 HydrophobicContact CG1-CE1 3.83Å; V249-Y266 HydrophobicContact CG1-CE2 4.02Å; V249-Y266 HydrophobicContact CG1-CG 4.47Å; V249-Y266 HydrophobicContact CG2-CD1 3.48Å; V249-Y266 VanDerWaalsContact CG2-CD1 3.48Å; V249-Y266 HydrophobicContact CG2-CE1 3.38Å; V249-Y266 HydrophobicContact CG2-CG 4.31Å
250L98Very high97.4Very high45 Ų4590.3 Ų90.324%0.23645%0.454CS..EExtended strand (participates in β ladder)trans-115.3148.2178.7-62.2-178.7000110L238 A240 M248 L264 L265L238-L250 HydrophobicContact CD1-CB 4.15Å; L238-L250 HydrophobicContact CD1-CD2 4.37Å; L238-L250 HydrophobicContact CD2-CD2 4.26Å; L238-L250 HydrophobicContact CG-CD2 4.49Å; A240-L250 HydrophobicContact CB-CD2 3.66Å; M248-L250 HydrophobicContact CG-CD2 4.06Å; M248-L250 HydrophobicContact CG-CG 4.03Å; M248-L250 HydrophobicContact SD-CD1 3.87Å; M248-L250 HydrophobicContact SD-CD2 3.94Å; M248-L250 HydrophobicContact SD-CG 3.9Å; L250-L264 CarbonylContact O-C 3.58Å; L250-L264 WeakPolarHBondContact O-CA 3.23Å; L250-L265 PolarHBondContact N-O 3.35Å; L250-L265 PolarHBondContact O-N 3.08Å
251S98.3Very high97.5Very high14 Ų1490.7 Ų90.710%0.09845%0.449CS..EExtended strand (participates in β ladder)trans-146150.8174.169.10000112.1Y239 T263Y239-S251 WeakPolarHBondContact CB-OG 3.37Å; Y239-S251 PolarHBondContact N-O 3.21Å; Y239-S251 PolarHBondContact O-N 3.46Å; Y239-S251 PolarHBondContact O-OG 3.28Å; S251-T263 WeakPolarHBondContact CA-O 3.41Å; S251-T263 WeakPolarHBondContact CB-O 3.31Å
252A98.3Very high97.6Very high15 Ų1586.8 Ų86.812%0.12443%0.43CS..EExtended strand (participates in β ladder)trans-152.1145.917200000109.6T262 T263A252-T262 WeakPolarHBondContact O-CA 3.35Å; A252-T263 PolarHBondContact N-O 2.92Å; A252-T263 PolarHBondContact O-N 3.32Å
253T98.5Very high97.6Very high1 Ų185.7 Ų85.71%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-99.4121.5174.8-53.10000109.7P230 L235 N236 V261 T262P230-T253 HydrophobicContact CB-CG2 4.32Å; P230-T253 HydrophobicContact CG-CG2 4.08Å; L235-T253 WeakPolarHBondContact CA-O 3.49Å; L235-T253 HydrophobicContact CD2-CG2 3.52Å; N236-T253 PolarHBondContact N-O 3.27Å; T253-V261 WeakPolarHBondContact CA-O 3.44Å; T253-T262 WeakPolarHBondContact CG2-OG1 3.33Å; T253-T262 PolarHBondContact OG1-OG1 2.94Å
254H98.4Very high97.7Very high88 Ų8885 Ų8541%0.40742%0.416SS..EExtended strand (participates in β ladder)trans-114.6149.7179.2-63.196.6000110.9N236 Y260 V261N236-H254 PolarHBondContact OD1-CD2 3.43Å; H254-Y260 WeakPolarHBondContact O-CA 3.42Å; H254-V261 PolarHBondContact N-O 3.02Å; H254-V261 PolarHBondContact O-N 3.1Å
255R98.4Very high97.8Very high124 Ų12482.4 Ų82.447%0.46841%0.409SS..EExtended strand (participates in β ladder)trans-94.7127173.3-173.9-175.3-65.5-123.5-3.4109.7L235 K257 K259 Y260L235-R255 HydrophobicContact CD1-CB 4.17Å; R255-K257 WeakPolarHBondContact CD-O 3.48Å; R255-K257 WeakPolarHBondContact CG-O 3.44Å; R255-K259 CarbonylContact C-O 3.42Å; R255-K259 WeakPolarHBondContact CA-O 3.42Å; R255-Y260 HydrophobicContact CB-CD1 4.2Å; R255-Y260 HydrophobicContact CB-CE1 4.32Å; R255-Y260 HydrophobicContact CG-CD1 4.23Å; R255-Y260 HydrophobicContact CG-CE1 4.04Å; R255-Y260 PolarHBondContact NH1-OH 2.81Å; R255-Y260 PolarHBondContact NH2-OH 2.89Å
256Y97.9Very high97.9Very high153 Ų15381.5 Ų81.560%0.639%0.394SS*.EExtended strand (participates in β ladder)trans-117108.7167.5-179.5-107.3000109.4K258 K259Y256-K258 PolarHBondContact O-N 2.92Å; Y256-K258 VanDerWaalsContact O-N 3.08Å; Y256-K259 PolarHBondContact N-O 2.86Å; Y256-K259 PolarHBondContact O-N 3.03Å
257K97.1Very high98Very high166 Ų16685.6 Ų85.672%0.72240%0.399SS*.THydrogen-bonded Turntrans54.3-110.6-170.3-56.4-178.1179-176.60111R255R255-K257 WeakPolarHBondContact CD-O 3.48Å; R255-K257 WeakPolarHBondContact CG-O 3.44Å
258K97.8Very high98Very high197 Ų19788 Ų8886%0.85742%0.416SS*.THydrogen-bonded Turntrans-105.410.9178.4-61.5-172.4177.7-176.30113.1Y256Y256-K258 PolarHBondContact O-N 2.92Å; Y256-K258 VanDerWaalsContact O-N 3.08Å
259K98Very high97.7Very high159 Ų15992.1 Ų92.169%0.69144%0.438SS*.EExtended strand (participates in β ladder)trans-115.1158.2179.9-61.8-168.1177-166.20110.6R255 Y256R255-K259 CarbonylContact C-O 3.42Å; R255-K259 WeakPolarHBondContact CA-O 3.42Å; Y256-K259 PolarHBondContact N-O 2.86Å; Y256-K259 PolarHBondContact O-N 3.03Å
260Y98.5Very high97.7Very high66 Ų6695.8 Ų95.826%0.25945%0.454SS..EExtended strand (participates in β ladder)trans-118.8139.4178.5-51.6-77.8000109.7E229 P230 L235 H254 R255E229-Y260 HydrophobicContact CG-CD2 4.49Å; E229-Y260 HydrophobicContact CG-CE2 3.92Å; P230-Y260 HydrophobicContact CG-CD1 3.69Å; P230-Y260 HydrophobicContact CG-CD2 3.93Å; P230-Y260 HydrophobicContact CG-CE1 4.18Å; P230-Y260 HydrophobicContact CG-CE2 4.39Å; P230-Y260 HydrophobicContact CG-CG 3.54Å; L235-Y260 HydrophobicContact CD1-CD1 4.09Å; L235-Y260 HydrophobicContact CD1-CE1 3.83Å; L235-Y260 HydrophobicContact CD2-CD1 4.02Å; L235-Y260 HydrophobicContact CD2-CE1 4.47Å; H254-Y260 WeakPolarHBondContact O-CA 3.42Å; R255-Y260 HydrophobicContact CB-CD1 4.2Å; R255-Y260 HydrophobicContact CB-CE1 4.32Å; R255-Y260 HydrophobicContact CG-CD1 4.23Å; R255-Y260 HydrophobicContact CG-CE1 4.04Å; R255-Y260 PolarHBondContact NH1-OH 2.81Å; R255-Y260 PolarHBondContact NH2-OH 2.89Å
261V98.3Very high97.7Very high76 Ų7698.4 Ų98.446%0.46147%0.465SS..EExtended strand (participates in β ladder)trans-131.5122.5177.8-177.40000108T253 H254T253-V261 WeakPolarHBondContact CA-O 3.44Å; H254-V261 PolarHBondContact N-O 3.02Å; H254-V261 PolarHBondContact O-N 3.1Å
262T98.4Very high97.6Very high28 Ų28103.1 Ų103.117%0.17249%0.486CS..EExtended strand (participates in β ladder)trans-96.9111.3170.5-55.30000108.1L214 L227 A252 T253 L264L214-T262 HydrophobicContact CD1-CG2 3.99Å; L214-T262 HydrophobicContact CD2-CG2 3.95Å; L214-T262 HydrophobicContact CG-CG2 4.06Å; L227-T262 HydrophobicContact CD1-CG2 4.35Å; L227-T262 WeakPolarHBondContact CD1-OG1 3.37Å; A252-T262 WeakPolarHBondContact O-CA 3.35Å; T253-T262 WeakPolarHBondContact CG2-OG1 3.33Å; T253-T262 PolarHBondContact OG1-OG1 2.94Å; T262-L264 HydrophobicContact CG2-CD1 4.24Å
263T98.2Very high97.6Very high81 Ų81108.3 Ų108.350%0.49751%0.507SS..EExtended strand (participates in β ladder)trans-97.4135.4179.7-54.20000109.2S251 A252S251-T263 WeakPolarHBondContact CA-O 3.41Å; S251-T263 WeakPolarHBondContact CB-O 3.31Å; A252-T263 PolarHBondContact N-O 2.92Å; A252-T263 PolarHBondContact O-N 3.32Å
264L98.4Very high97.5Very high79 Ų79115 Ų11541%0.41454%0.538SS..EExtended strand (participates in β ladder)trans-110.1134171.7-73.373.7000108.8L214 L250 T262 Y266L214-L264 HydrophobicContact CD1-CD1 3.98Å; L214-L264 HydrophobicContact CD1-CD2 4.39Å; L214-L264 HydrophobicContact CD1-CG 4.26Å; L214-L264 HydrophobicContact CD2-CD1 4.36Å; L250-L264 CarbonylContact O-C 3.58Å; L250-L264 WeakPolarHBondContact O-CA 3.23Å; T262-L264 HydrophobicContact CG2-CD1 4.24Å; L264-Y266 HydrophobicContact CB-CE2 4.17Å; L264-Y266 HydrophobicContact CD2-CE2 4.37Å
265L97.9Very high97.5Very high98 Ų98116.8 Ų116.851%0.51355%0.547SS..EExtended strand (participates in β ladder)trans-118122.6174.9176.165.7000109.1V249 L250V249-L265 WeakPolarHBondContact CA-O 3.27Å; L250-L265 PolarHBondContact N-O 3.35Å; L250-L265 PolarHBondContact O-N 3.08Å
266Y97.9Very high97.4Very high146 Ų146116.3 Ų116.357%0.57355%0.553SS**EExtended strand (participates in β ladder)trans-101.2119.7170.2-69.7-103.5000108.2V247 M248 V249 L264V247-Y266 HydrophobicContact CG1-CD1 4.08Å; M248-Y266 WeakPolarHBondContact O-CA 3.37Å; V249-Y266 HydrophobicContact CB-CD1 4.41Å; V249-Y266 HydrophobicContact CB-CE1 4.26Å; V249-Y266 HydrophobicContact CG1-CD1 4.22Å; V249-Y266 HydrophobicContact CG1-CD2 4.39Å; V249-Y266 HydrophobicContact CG1-CE1 3.83Å; V249-Y266 HydrophobicContact CG1-CE2 4.02Å; V249-Y266 HydrophobicContact CG1-CG 4.47Å; V249-Y266 HydrophobicContact CG2-CD1 3.48Å; V249-Y266 VanDerWaalsContact CG2-CD1 3.48Å; V249-Y266 HydrophobicContact CG2-CE1 3.38Å; V249-Y266 HydrophobicContact CG2-CG 4.31Å; L264-Y266 HydrophobicContact CB-CE2 4.17Å; L264-Y266 HydrophobicContact CD2-CE2 4.37Å
267K97.5Very high97.4Very high129 Ų129113.5 Ų113.556%0.56155%0.549SS*.EExtended strand (participates in β ladder)trans-132.8123.6-177.7-173-178.9174.4-178.70110.5M248M248-K267 PolarHBondContact N-O 3.24Å; M248-K267 PolarHBondContact O-N 3.44Å
268P96.5Very high97.4Very high99 Ų99109.1 Ų109.164%0.64353%0.534SS*.EExtended strand (participates in β ladder)trans-60.8148.9170.7-21.433.1000111.9G246G246-P268 WeakPolarHBondContact O-CA 3.48Å
269I91.3Very high97.4Very high151 Ų151101.1 Ų101.177%0.77451%0.505SS*.  trans-104.40176.5-51.9-177.8000110.1I243 G246 M248I243-I269 HydrophobicContact CB-CD1 4.31Å; I243-I269 HydrophobicContact CD1-CD1 3.48Å; I243-I269 VanDerWaalsContact CD1-CD1 3.48Å; I243-I269 HydrophobicContact CG1-CD1 3.81Å; I243-I269 HydrophobicContact CG2-CD1 3.52Å; G246-I269 PolarHBondContact O-N 3.3Å; M248-I269 HydrophobicContact CB-CD1 3.99Å; M248-I269 HydrophobicContact CB-CG1 4.03Å; M248-I269 HydrophobicContact CE-CD1 4.05Å; M248-I269 HydrophobicContact CE-CG1 4.46Å

Retrieved 269 of 269 residues in 128.7 ms (Link to these results)