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5-AMP-activated protein kinase subunit beta-1

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 A0A060WLZ5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene aakb1, Length 273 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low32.2Very low254 Ų254147.5 Ų147.5100%1.25188%0.881SS**  0125.60-85.9173.2168.700108.1
2G35.4Very low32Very low85 Ų85144.5 Ų144.588%0.87687%0.873SS**  trans82.9105.7159.200000118
3N29.9Very low31.7Very low171 Ų171141.1 Ų141.191%0.91487%0.869SS**  trans-87.9161.2172.9-93.4-9.1000113.2
4N31.6Very low31.4Very low153 Ų153136.1 Ų136.182%0.81886%0.859SS**  trans-69.5161.8164.2-89.8-9.8000114.8
5S33.6Very low31.2Very low107 Ų107140.7 Ų140.775%0.74887%0.866SS**  155.6110.6125-62.80000111.3
6S34.9Very low31Very low109 Ų109136.4 Ų136.476%0.76286%0.858SS**  65.6144.895.880.50000115.3
7S34Very low30.7Very low120 Ų120140.2 Ų140.284%0.83986%0.863SS**  cis179.5162.4-3.7-890000108.7
8G28.8Very low30.7Very low74 Ų74145.4 Ų145.476%0.76386%0.864SS**  trans93.1152.8152.200000117.3
9E30Very low31.2Very low202 Ų202142.7 Ų142.794%0.94485%0.851SS**  cis-170.8176.7-17.9-124.9-175.8158.900107.1
10R28.9Very low30.9Very low244 Ų244145.6 Ų145.692%0.92185%0.847SS**  trans-82.5170-160.4-84.9173.6163.7177.6-4.6118.8
11A28.8Very low30.9Very low103 Ų103146.8 Ų146.885%0.85185%0.845SS**  trans89.4153.9144.800000118
12S29.4Very low30.4Very low112 Ų112145.7 Ų145.778%0.78383%0.827SS**  cis-179.1149-22.2-176.50000107
13A28.9Very low30.1Very low100 Ų100149.4 Ų149.483%0.82683%0.827SS**  trans64.3137.615100000123.6
14G27.5Very low30.1Very low71 Ų71148.2 Ų148.273%0.73282%0.821SS**  130.3100.2119.900000121.1
15Q28.6Very low29.9Very low206 Ų206144.6 Ų144.696%0.96382%0.819SS**  64.3140.8128.1-69.4-175.1-11.200125.6
16G26.7Very low29.7Very low72 Ų72149.3 Ų149.374%0.74283%0.829SS**  trans112.9143.4136.700000116.1
17E27.1Very low29.4Very low200 Ų200148.1 Ų148.194%0.93584%0.835SS**  cis-166.1170.3-6.7-85.6-159.7123.300108.2
18R30.8Very low29.3Very low235 Ų235146.9 Ų146.989%0.88783%0.832SS**  trans-70.9-176.7179.5-38.2-178.8-162.6-178.93.4112.7
19P39.1Very low29.5Very low93 Ų93152.4 Ų152.460%0.60484%0.835SS**  -162.5-179.363.932.3-3.5000120.2
20Y26.2Very low29.6Very low200 Ų200150.1 Ų150.178%0.78483%0.829SS**  trans78146.9156.5-57-60.9000120.4
21Q30.8Very low29.7Very low172 Ų172142 Ų14280%0.80482%0.822SS**  cis-162.1158.14.4-140.6147.5-3200110.4
22R26.8Very low29.9Very low230 Ų230141.9 Ų141.987%0.86882%0.82SS**  trans-79150.6166.1-72.8-178.6-178.8179.5-0.3110.8
23D29.2Very low30.7Very low163 Ų163148.4 Ų148.487%0.87283%0.828SS**  trans-144.9138.5148.7-162.125.6000111
24D29.4Very low31Very low147 Ų147149.4 Ų149.479%0.78683%0.826SS**  trans-102.9144.1-179.8-87.8-51.9000108.8
25G28.7Very low31.5Very low76 Ų76155.5 Ų155.578%0.78483%0.832SS**  trans170.979.117000000119.6
26Q29.9Very low32Very low206 Ų206153.8 Ų153.896%0.96383%0.828SS**  trans28.6131.3139.3-65.4174.92.700122.7
27G28Very low32.5Very low85 Ų85157.3 Ų157.388%0.87683%0.828SS**  trans-178.3109.6154.900000113.1
28A30.9Very low33.1Very low94 Ų94155.9 Ų155.978%0.77782%0.823SS**  trans-96.1168.4-166.300000117.1
29K32.9Very low33.4Very low190 Ų190151.2 Ų151.283%0.82682%0.816SS**  trans92.9136.9155.8-59.1-171.1179.1-176.50117
30D32.1Very low33.2Very low153 Ų153152.1 Ų152.182%0.81883%0.825SS**  cis-142.1153.17.2-84.8-43.2000106.5
31G31.6Very low34.3Very low75 Ų75148.2 Ų148.277%0.77382%0.822SS**  cis104.274.341.100000111.1
32A33.5Very low34.9Very low100 Ų100147.1 Ų147.183%0.82682%0.821SS**  trans-177.8107.4149.300000112.2
33R45Very low35.6Very low249 Ų249144.8 Ų144.894%0.9483%0.826SS**  trans-102.5146152.8-81.9-175.9175.3-176.9-1.7107.7
34P37.2Very low36.3Very low121 Ų121140.9 Ų140.979%0.78682%0.817SS**  trans-112.5147.9137.424.3-10.1000111.3
35K37.9Very low37Very low198 Ų198140.5 Ų140.586%0.86182%0.815SS**  trans-67.6140.2-178.7-63.2163.9175.5176.80110.1
36I37.7Very low37.6Very low170 Ų170144.8 Ų144.887%0.87282%0.819SS**  trans-106.7123159.7-62.1177.3000107.4
37I38.8Very low38.3Very low147 Ų147144.3 Ų144.375%0.75481%0.814SS**  trans-79.8136178.7-68.2166.8000108
38M38.4Very low38.9Very low169 Ų169146.5 Ų146.583%0.83381%0.805SS**  trans11.9138.1143.7-153.9163.5165.500119.5
39D36.6Very low39.7Very low137 Ų137147.3 Ų147.373%0.73380%0.801SS**  trans94.3101.8146.9-138.89.4000117.5
40S35.1Very low40.2Very low112 Ų112149.7 Ų149.778%0.78381%0.805SS**  trans-168.2109.8131.5-134.40000108.9D42S40-D42 PolarHBondContact O-N 2.96Å
41T49.3Very low41Very low118 Ų118151.5 Ų151.572%0.72481%0.808SS**  trans-63.7118.9154.547.10000107.8
42D43.4Very low41.7Very low149 Ų149152.5 Ų152.580%0.79781%0.809SS**  trans174.677.5152.1-85.5-21.7000109.6S40S40-D42 PolarHBondContact O-N 2.96Å
43D43Very low42.2Very low181 Ų181156.1 Ų156.197%0.96881%0.806SS**  trans-109.755.3169.2-98.4-29.8000109.9
44A43.4Very low42.2Very low82 Ų82148.1 Ų148.168%0.67878%0.782SS**  trans-13549.9179.800000111.8
45D43.5Very low42.9Very low139 Ų139144.6 Ų144.674%0.74376%0.763SS**  trans-159.136.1168.4-98.7-28.9000115.3F47D45-F47 PolarHBondContact O-N 2.83Å
46L42.2Very low43.8Very low165 Ų165138.9 Ų138.986%0.86475%0.747SS**THydrogen-bonded Turntrans-81.55.3174-15372.4000114
47F43.4Very low44.7Very low197 Ų197136.1 Ų136.186%0.86473%0.73SS**THydrogen-bonded Turntrans-132.133.6-175.8-77.5-75000114.2D45D45-F47 PolarHBondContact O-N 2.83Å
48N41Very low45.6Very low130 Ų130135 Ų13570%0.69572%0.722SS**SBendtrans-142.1117.2167.4-104.3-27.5000114.7
49T47Very low47Very low111 Ų111132 Ų13268%0.68171%0.708SS**SBendtrans77.982.1146.3-36.50000117
50R44.4Very low48.3Very low241 Ų241131.7 Ų131.791%0.90970%0.702SS**SBendtrans-158.94.1143.6-108.6162.5-156-148.37.2117.6
51E48.6Very low49.6Very low190 Ų190132.7 Ų132.789%0.88869%0.694SS**SBendtrans-102-2.9-175.2-69.1-176.716700115.8
52A46.9Very low50.2Low96 Ų96133.6 Ų133.679%0.79369%0.688SS**SBendtrans-97.7-4.6-173.300000115.7
53K43.3Very low51.2Low177 Ų177131.2 Ų131.277%0.7768%0.675SS**SBendtrans-99.2-16.2-171.6-69-171.6178.5-177.70115
54N44.4Very low52.3Low80 Ų80124.3 Ų124.343%0.42864%0.643SS.*SBendtrans-111.1-2.6-174-64.90.7000113.9P56 Q57 E58N54-P56 VanDerWaalsContact C-CD 3.41Å; N54-P56 VanDerWaalsContact C-N 3.32Å; N54-Q57 CarbonylContact O-C 2.94Å; N54-Q57 WeakPolarHBondContact O-CA 3.35Å; N54-Q57 WeakPolarHBondContact O-CB 3.42Å; N54-Q57 PolarHBondContact O-N 3.08Å; N54-E58 PolarHBondContact O-N 2.85Å
55A53.3Low53.3Low48 Ų48129 Ų12940%0.39764%0.643SS.*Hα-helixtrans-53.1-39179.700000114.3Q57 I59A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-I59 WeakPolarHBondContact O-CB 3.18Å; A55-I59 WeakPolarHBondContact O-CD1 3.35Å; A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.32Å
56P55.8Low54Low78 Ų78126.9 Ų126.951%0.50663%0.629SS.*Hα-helixtrans-69.5-31.5174.6-1630.1000113N54 Q60N54-P56 VanDerWaalsContact C-CD 3.41Å; N54-P56 VanDerWaalsContact C-N 3.32Å; P56-Q60 WeakPolarHBondContact O-CB 3.18Å; P56-Q60 VanDerWaalsContact O-CG 3.24Å; P56-Q60 WeakPolarHBondContact O-CG 3.45Å; P56-Q60 PolarHBondContact O-N 2.74Å
57Q56Low54.6Low111 Ų111126.7 Ų126.752%0.51962%0.617SS.*Hα-helixtrans-77.4-40.9-179.5-77.4178.2-21.400111.6N54 A55 Q60 E61N54-Q57 CarbonylContact O-C 2.94Å; N54-Q57 WeakPolarHBondContact O-CA 3.35Å; N54-Q57 WeakPolarHBondContact O-CB 3.42Å; N54-Q57 PolarHBondContact O-N 3.08Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-Q60 CarbonylContact O-C 3.59Å; Q57-Q60 PolarHBondContact O-N 2.78Å; Q57-E61 WeakPolarHBondContact O-CB 3.18Å; Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 2.85Å
58E59Low55Low125 Ų125121.4 Ų121.458%0.58460%0.597SS**Hα-helixtrans-67-37.5175.9-73.2176.1-17500111.7N54 E61 F62N54-E58 PolarHBondContact O-N 2.85Å; E58-E61 PolarHBondContact O-N 2.86Å; E58-F62 VanDerWaalsContact O-CB 3.25Å; E58-F62 WeakPolarHBondContact O-CB 3.28Å; E58-F62 PolarHBondContact O-N 2.91Å
59I66.6Low55.7Low105 Ų105120.9 Ų120.954%0.53859%0.594SS.*Hα-helixtrans-65.3-42.1171.8-67.8167.9000110.3A55 F62 L63A55-I59 WeakPolarHBondContact O-CB 3.18Å; A55-I59 WeakPolarHBondContact O-CD1 3.35Å; A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.32Å; I59-F62 PolarHBondContact O-N 2.87Å; I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 WeakPolarHBondContact O-CG 3.33Å; I59-L63 PolarHBondContact O-N 2.9Å
60Q64.6Low56Low131 Ų131121 Ų12161%0.61259%0.587SS**Hα-helixtrans-66.1-38.9175.7-81.7174.51200112.8P56 Q57 L63 A64P56-Q60 WeakPolarHBondContact O-CB 3.18Å; P56-Q60 VanDerWaalsContact O-CG 3.24Å; P56-Q60 WeakPolarHBondContact O-CG 3.45Å; P56-Q60 PolarHBondContact O-N 2.74Å; Q57-Q60 CarbonylContact O-C 3.59Å; Q57-Q60 PolarHBondContact O-N 2.78Å; Q60-L63 PolarHBondContact O-N 2.8Å; Q60-A64 VanDerWaalsContact O-CB 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.37Å; Q60-A64 PolarHBondContact O-N 2.92Å
61E62.1Low56.2Low133 Ų133113 Ų11362%0.62157%0.568SS**Hα-helixtrans-68.4-39.9176.2-78.7-178.9171.900111.2Q57 E58 A64 W65Q57-E61 WeakPolarHBondContact O-CB 3.18Å; Q57-E61 WeakPolarHBondContact O-CG 3.5Å; Q57-E61 PolarHBondContact O-N 2.85Å; E58-E61 PolarHBondContact O-N 2.86Å; E61-A64 PolarHBondContact O-N 2.83Å; E61-W65 WeakPolarHBondContact O-CB 3.42Å; E61-W65 PolarHBondContact O-N 3.36Å
62F63.1Low56Low137 Ų137111.2 Ų111.260%0.60156%0.564SS**Hα-helixtrans-62.7-45.1173.1179.5-97.6000112E58 I59 A64 W65 Q66E58-F62 VanDerWaalsContact O-CB 3.25Å; E58-F62 WeakPolarHBondContact O-CB 3.28Å; E58-F62 PolarHBondContact O-N 2.91Å; I59-F62 PolarHBondContact O-N 2.87Å; F62-A64 VanDerWaalsContact C-N 3.34Å; F62-W65 PolarHBondContact O-N 2.9Å; F62-Q66 PolarHBondContact O-N 2.97Å
63L64.4Low56.1Low98 Ų98110.5 Ų110.551%0.51355%0.553SS.*Hα-helixtrans-65.6-36.1174.9-70.2171.3000112I59 Q60 R67I59-L63 HydrophobicContact CG2-CD1 3.98Å; I59-L63 HydrophobicContact CG2-CG 4.47Å; I59-L63 WeakPolarHBondContact O-CB 3.42Å; I59-L63 WeakPolarHBondContact O-CG 3.33Å; I59-L63 PolarHBondContact O-N 2.9Å; Q60-L63 PolarHBondContact O-N 2.8Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 PolarHBondContact O-N 2.85Å; L63-R67 VanDerWaalsContact O-N 3.08Å
64A65.6Low56.3Low36 Ų36112 Ų11230%0.29856%0.56SS.*Hα-helixtrans-67.1-41.2174.700000111.4Q60 E61 F62 R67 D68Q60-A64 VanDerWaalsContact O-CB 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.37Å; Q60-A64 PolarHBondContact O-N 2.92Å; E61-A64 PolarHBondContact O-N 2.83Å; F62-A64 VanDerWaalsContact C-N 3.34Å; A64-R67 PolarHBondContact O-N 2.92Å; A64-D68 WeakPolarHBondContact O-CB 3.33Å; A64-D68 PolarHBondContact O-N 2.99Å
65W64.9Low56.2Low181 Ų181112.6 Ų112.669%0.68657%0.57SS**Hα-helixtrans-65.7-39.5177-128.373.2000112.7E61 F62 D68 L69E61-W65 WeakPolarHBondContact O-CB 3.42Å; E61-W65 PolarHBondContact O-N 3.36Å; F62-W65 PolarHBondContact O-N 2.9Å; W65-D68 PolarHBondContact O-N 2.79Å; W65-L69 HydrophobicContact CE3-CD1 3.61Å; W65-L69 HydrophobicContact CE3-CG 4.3Å; W65-L69 HydrophobicContact CZ3-CD1 3.8Å; W65-L69 HydrophobicContact CZ3-CG 4.43Å; W65-L69 PolarHBondContact O-N 3.13Å
66Q57Low56Low94 Ų94116 Ų11644%0.43959%0.587SS.*Hα-helixtrans-59.9-46.8171-97.7-173.3-4900111.5F62 D68 L69 E70F62-Q66 PolarHBondContact O-N 2.97Å; Q66-D68 VanDerWaalsContact C-N 3.29Å; Q66-D68 PolarHBondContact O-N 2.96Å; Q66-L69 PolarHBondContact O-N 2.92Å; Q66-E70 WeakPolarHBondContact O-CG 3.46Å; Q66-E70 PolarHBondContact O-N 3.34Å; Q66-E70 VanDerWaalsContact O-N 3.13Å
67R56.1Low56.3Low162 Ų162116.2 Ų116.261%0.61159%0.591SS**Hα-helixtrans-65-33.7179.8-161.7-174.668.71671.3112.4L63 A64 S71L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 PolarHBondContact O-N 2.85Å; L63-R67 VanDerWaalsContact O-N 3.08Å; A64-R67 PolarHBondContact O-N 2.92Å; R67-S71 WeakPolarHBondContact O-CB 3.22Å; R67-S71 PolarHBondContact O-N 3.46Å; R67-S71 VanDerWaalsContact O-N 3.13Å
68D51.6Low57.4Low85 Ų85117.8 Ų117.846%0.45560%0.599SS.*Hα-helixtrans-76.4-36.2179.5-70.9-8.5000111.7A64 W65 Q66 E70 S71A64-D68 WeakPolarHBondContact O-CB 3.33Å; A64-D68 PolarHBondContact O-N 2.99Å; W65-D68 PolarHBondContact O-N 2.79Å; Q66-D68 VanDerWaalsContact C-N 3.29Å; Q66-D68 PolarHBondContact O-N 2.96Å; D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.79Å; D68-S71 WeakPolarHBondContact CA-OG 3.43Å; D68-S71 PolarHBondContact O-N 2.95Å; D68-S71 VanDerWaalsContact O-N 3.11Å; D68-S71 PolarHBondContact O-OG 3.44Å
69L54.3Low58.7Low120 Ų120114.1 Ų114.163%0.62859%0.59SS**Hα-helixtrans-62.7-34.4170.3-83.6162.3000112.7W65 Q66 S71W65-L69 HydrophobicContact CE3-CD1 3.61Å; W65-L69 HydrophobicContact CE3-CG 4.3Å; W65-L69 HydrophobicContact CZ3-CD1 3.8Å; W65-L69 HydrophobicContact CZ3-CG 4.43Å; W65-L69 PolarHBondContact O-N 3.13Å; Q66-L69 PolarHBondContact O-N 2.92Å; L69-S71 VanDerWaalsContact C-N 3.33Å
70E53.4Low59.9Low113 Ų113110.8 Ų110.853%0.52857%0.571SS.*Hα-helixtrans-77.4-19.6174.2-71173.1-174.600112.9Q66 D68Q66-E70 WeakPolarHBondContact O-CG 3.46Å; Q66-E70 PolarHBondContact O-N 3.34Å; Q66-E70 VanDerWaalsContact O-N 3.13Å; D68-E70 VanDerWaalsContact C-N 3.3Å; D68-E70 PolarHBondContact O-N 2.79Å
71S49.5Very low61.3Low72 Ų72108.1 Ų108.150%0.50357%0.565SS.*Hα-helixtrans-85.7-13.9-174.778.40000115R67 D68 L69 S73R67-S71 WeakPolarHBondContact O-CB 3.22Å; R67-S71 PolarHBondContact O-N 3.46Å; R67-S71 VanDerWaalsContact O-N 3.13Å; D68-S71 WeakPolarHBondContact CA-OG 3.43Å; D68-S71 PolarHBondContact O-N 2.95Å; D68-S71 VanDerWaalsContact O-N 3.11Å; D68-S71 PolarHBondContact O-OG 3.44Å; L69-S71 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.06Å
72D45Very low62.9Low153 Ų153102.3 Ų102.382%0.81854%0.539SS*.THydrogen-bonded Turntrans-86.915.8-176.2-147.922.6000114.1
73S47.9Very low64.4Low81 Ų81100.2 Ų100.257%0.56654%0.537SS*.  trans-128.277166.947.80000110.3S71 C75S71-S73 PolarHBondContact O-N 3.06Å; S73-C75 PolarHBondContact O-N 3.24Å
74K47.9Very low65.9Low208 Ų20895.7 Ų95.790%0.90451%0.513SS*.  trans-65.172.1155.1-79.8-177.5178.8173.20109.2
75C43Very low67.3Low94 Ų94100.9 Ų100.964%0.63553%0.525SS*.  trans-86.4136.1156.9-102.30000107.9S73 S77S73-C75 PolarHBondContact O-N 3.24Å; C75-S77 PolarHBondContact O-N 3.32Å; C75-S77 VanDerWaalsContact O-N 3.09Å
76P48Very low68.6Low118 Ų11893.3 Ų93.377%0.76650%0.496SS*.SBendtrans-63116.1177.126.9-31.3000108.5Q78P76-Q78 PolarHBondContact O-N 3Å
77S62.2Low70.3Confident84 Ų8492.6 Ų92.659%0.58750%0.499SS*.  trans41.374.7169.266.50000114.5C75 A79C75-S77 PolarHBondContact O-N 3.32Å; C75-S77 VanDerWaalsContact O-N 3.09Å; S77-A79 PolarHBondContact O-N 2.93Å
78Q78.1Confident71.8Confident144 Ų14486.4 Ų86.467%0.67349%0.485SS*.  trans-55.8114.3173.2-174.7177.96.700109P76 K80P76-Q78 PolarHBondContact O-N 3Å; Q78-K80 WeakPolarHBondContact O-CG 3.47Å
79A87.6Confident73.6Confident48 Ų4887 Ų8740%0.39750%0.501SS..  trans-68.7135.9178.600000109.2S77 D120 L121S77-A79 PolarHBondContact O-N 2.93Å; A79-D120 HydrophobicContact CB-CB 3.7Å; A79-L121 CarbonylContact C-O 3.58Å; A79-L121 WeakPolarHBondContact CA-O 3.19Å
80K90.9Very high75.2Confident35 Ų3582 Ų8215%0.15248%0.479CS..EExtended strand (participates in β ladder)trans-120.6140.8-173.6-53.2-163.9175.6-152.70111Q78 T82 D120 L121 E123 F163Q78-K80 WeakPolarHBondContact O-CG 3.47Å; K80-T82 PolarHBondContact O-N 3.13Å; K80-T82 VanDerWaalsContact O-N 3.11Å; K80-T82 PolarHBondContact O-OG1 2.83Å; K80-D120 WeakPolarHBondContact O-CA 3.26Å; K80-L121 PolarHBondContact N-O 3.19Å; K80-L121 PolarHBondContact O-N 3.07Å; K80-E123 WeakPolarHBondContact CE-OE1 3.19Å; K80-E123 IonicContact NZ-OE1 3.43Å; K80-E123 PolarHBondContact NZ-OE1 2.8Å; K80-F163 HydrophobicContact CB-CD1 3.87Å; K80-F163 HydrophobicContact CB-CD2 4.14Å; K80-F163 HydrophobicContact CB-CE1 3.34Å; K80-F163 HydrophobicContact CB-CE2 3.62Å; K80-F163 HydrophobicContact CB-CG 4.25Å; K80-F163 HydrophobicContact CB-CZ 3.18Å; K80-F163 HydrophobicContact CD-CB 4.24Å; K80-F163 HydrophobicContact CD-CD1 3.97Å; K80-F163 HydrophobicContact CD-CD2 3.15Å; K80-F163 HydrophobicContact CD-CE1 4.15Å; K80-F163 HydrophobicContact CD-CE2 3.35Å; K80-F163 HydrophobicContact CD-CG 3.49Å; K80-F163 VanDerWaalsContact CD-CG 3.49Å; K80-F163 HydrophobicContact CD-CZ 3.86Å; K80-F163 HydrophobicContact CG-CD2 4.28Å; K80-F163 HydrophobicContact CG-CE1 4.38Å; K80-F163 HydrophobicContact CG-CE2 4.1Å; K80-F163 HydrophobicContact CG-CG 4.48Å; K80-F163 HydrophobicContact CG-CZ 4.15Å
81P94.9Very high76.8Confident75 Ų7585 Ų8549%0.48749%0.491SS..EExtended strand (participates in β ladder)trans-67.3112.7-170.825.8-34.7000111.4V118 D120 F163P81-V118 HydrophobicContact CB-CG1 3.65Å; P81-D120 WeakPolarHBondContact CA-OD1 3.39Å; P81-D120 WeakPolarHBondContact CB-OD1 3.32Å; P81-F163 HydrophobicContact CG-CE1 4.27Å; P81-F163 WeakPolarHBondContact O-CE1 3.4Å
82T95.1Very high78.8Confident11 Ų1187.8 Ų87.87%0.06750%0.496CS..EExtended strand (participates in β ladder)trans-112.6129.8-178.6-550000110.1K80 F84 V118 V119 L121 I156 V158K80-T82 PolarHBondContact O-N 3.13Å; K80-T82 VanDerWaalsContact O-N 3.11Å; K80-T82 PolarHBondContact O-OG1 2.83Å; T82-F84 HydrophobicContact CG2-CE2 4.32Å; T82-V118 WeakPolarHBondContact O-CA 3.36Å; T82-V119 WeakPolarHBondContact CB-O 3.41Å; T82-V119 PolarHBondContact N-O 2.86Å; T82-V119 PolarHBondContact O-N 3.08Å; T82-L121 HydrophobicContact CG2-CD1 4.05Å; T82-I156 HydrophobicContact CG2-CD1 3.49Å; T82-I156 VanDerWaalsContact CG2-CD1 3.49Å; T82-I156 HydrophobicContact CG2-CG1 4.44Å; T82-V158 HydrophobicContact CG2-CG2 4.23Å
83V95.1Very high81.2Confident93 Ų9380.7 Ų80.756%0.56446%0.458SS*.EExtended strand (participates in β ladder)trans-90.8120.8-175.9-175.60000110.5V118V83-V118 HydrophobicContact CG2-CG2 4.3Å
84F95Very high83.5Confident3 Ų379.4 Ų79.41%0.01344%0.442CS..EExtended strand (participates in β ladder)trans-99.5122.1167.3-69.6-82.9000109.3T82 V95 F99 A116 A117 V119 L121 Y128 F130 I156T82-F84 HydrophobicContact CG2-CE2 4.32Å; F84-V95 HydrophobicContact CD1-CG2 4.07Å; F84-V95 HydrophobicContact CG-CG2 4.21Å; F84-F99 HydrophobicContact CE2-CE1 4.26Å; F84-F99 HydrophobicContact CE2-CZ 4.39Å; F84-F99 AromaticContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CZ 4.37Å; F84-A116 CarbonylContact O-C 3.55Å; F84-A116 VanDerWaalsContact O-CA 3.22Å; F84-A116 WeakPolarHBondContact O-CA 3.22Å; F84-A117 PolarHBondContact N-O 2.87Å; F84-A117 PolarHBondContact O-N 2.92Å; F84-V119 HydrophobicContact CD2-CB 4.18Å; F84-V119 HydrophobicContact CD2-CG2 3.98Å; F84-V119 HydrophobicContact CE2-CB 4.02Å; F84-V119 HydrophobicContact CE2-CG2 4.22Å; F84-L121 HydrophobicContact CE2-CD1 3.86Å; F84-L121 HydrophobicContact CZ-CD1 3.76Å; F84-Y128 HydrophobicContact CD1-CD1 4.44Å; F84-Y128 AromaticContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CE1 4.48Å; F84-Y128 AromaticContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CG 4.1Å; F84-Y128 AromaticContact CE1-CD1 3.62Å; F84-Y128 HydrophobicContact CE1-CD1 3.62Å; F84-Y128 AromaticContact CE1-CD2 3.72Å; F84-Y128 HydrophobicContact CE1-CD2 3.72Å; F84-Y128 AromaticContact CE1-CE1 3.88Å; F84-Y128 HydrophobicContact CE1-CE1 3.88Å; F84-Y128 AromaticContact CE1-CE2 3.99Å; F84-Y128 HydrophobicContact CE1-CE2 3.99Å; F84-Y128 AromaticContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CZ-CD1 4.5Å; F84-Y128 HydrophobicContact CZ-CG 4.46Å; F84-F130 HydrophobicContact CB-CE1 4.35Å; F84-F130 HydrophobicContact CB-CZ 4.22Å; F84-F130 HydrophobicContact CD1-CZ 4.49Å; F84-I156 HydrophobicContact CE1-CG2 4.2Å; F84-I156 HydrophobicContact CZ-CG2 4.12Å
85R94.8Very high85.8Confident144 Ų14469.5 Ų69.554%0.54340%0.399SS..EExtended strand (participates in β ladder)trans-126.1132.7-176.9-174.5176.966.8179.31.3110.8T87 N114 F115R85-T87 HydrophobicContact CG-CG2 4.46Å; R85-N114 HydrophobicContact CG-CB 4.26Å; R85-F115 CarbonylContact C-O 3.58Å; R85-F115 WeakPolarHBondContact CA-O 3.17Å
86W94.1Very high88.2Confident23 Ų2365 Ų659%0.08737%0.369CS..EExtended strand (participates in β ladder)trans-115.6126.2171-179.3-94.2000110.3G88 I93 L108 N114 F115 F130 V132 T137 L138W86-G88 VanDerWaalsContact CD1-N 3.35Å; W86-G88 VanDerWaalsContact NE1-CA 3.25Å; W86-G88 PolarHBondContact NE1-O 3.46Å; W86-I93 HydrophobicContact CB-CD1 4.45Å; W86-I93 HydrophobicContact CB-CG2 4.33Å; W86-I93 HydrophobicContact CG-CD1 3.88Å; W86-I93 HydrophobicContact CG-CG2 4.3Å; W86-L108 HydrophobicContact CB-CD2 4.03Å; W86-N114 WeakPolarHBondContact O-CA 3.32Å; W86-F115 HydrophobicContact CB-CB 4.26Å; W86-F115 PolarHBondContact N-O 2.83Å; W86-F115 PolarHBondContact O-N 2.91Å; W86-F130 HydrophobicContact CB-CE1 4.44Å; W86-F130 HydrophobicContact CE3-CB 4.09Å; W86-F130 AromaticContact CE3-CD2 3.44Å; W86-F130 HydrophobicContact CE3-CD2 3.44Å; W86-F130 VanDerWaalsContact CE3-CD2 3.44Å; W86-F130 AromaticContact CE3-CE2 3.93Å; W86-F130 HydrophobicContact CE3-CE2 3.93Å; W86-F130 AromaticContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CZ3-CB 4.21Å; W86-F130 AromaticContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CG 4.24Å; W86-V132 HydrophobicContact CD2-CG2 4.3Å; W86-V132 HydrophobicContact CH2-CG2 4.35Å; W86-V132 HydrophobicContact CZ2-CG2 3.79Å; W86-T137 WeakPolarHBondContact CH2-OG1 3.49Å; W86-L138 WeakPolarHBondContact CZ3-O 3.37Å
87T92.1Very high90.4Very high79 Ų7959.4 Ų59.449%0.48533%0.332SS..  trans-104.2-6.8-178.8540000113.2R85R85-T87 HydrophobicContact CG-CG2 4.46Å
88G88.2Confident91.9Very high32 Ų3257.3 Ų57.333%0.3332%0.317SS..SBendtrans-77.4173.3176.600000113.3W86W86-G88 VanDerWaalsContact CD1-N 3.35Å; W86-G88 VanDerWaalsContact NE1-CA 3.25Å; W86-G88 PolarHBondContact NE1-O 3.46Å
89A88.3Confident92.5Very high96 Ų9652.8 Ų52.879%0.79330%0.296SS*.  trans-74.5150.1173.200000111.8V132A89-V132 WeakPolarHBondContact O-CG1 3.3Å
90G87.8Confident92.6Very high16 Ų1651.6 Ų51.617%0.16528%0.283CS..  trans174.1157.9175.400000111F115G90-F115 WeakPolarHBondContact O-CZ 3.31Å
91K87.9Confident92.5Very high177 Ų17756.5 Ų56.577%0.7731%0.311SS*.SBendtrans-94.6-50.2171.9-64.2178.7-178.5175.60110.6D133K91-D133 WeakPolarHBondContact CA-OD1 3.39Å; K91-D133 WeakPolarHBondContact CB-OD1 3.43Å; K91-D133 PolarHBondContact N-OD1 2.99Å; K91-D133 PolarHBondContact N-OD2 3.46Å
92E91.6Very high92.3Very high130 Ų13057.8 Ų57.861%0.60731%0.306SS*.SBendtrans-123.4121.8178.3-63-172.6126.200109.2F94 D133E92-F94 HydrophobicContact CB-CE2 3.85Å; E92-F94 HydrophobicContact CB-CZ 4.36Å; E92-D133 PolarHBondContact N-OD1 3.17Å; E92-D133 PolarHBondContact O-N 2.84Å
93I95.3Very high91.9Very high4 Ų461.2 Ų61.22%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-126.6129.9-175.7-49.9-167.8000108.5W86 L108 F115 F130 C131 V132W86-I93 HydrophobicContact CB-CD1 4.45Å; W86-I93 HydrophobicContact CB-CG2 4.33Å; W86-I93 HydrophobicContact CG-CD1 3.88Å; W86-I93 HydrophobicContact CG-CG2 4.3Å; I93-L108 HydrophobicContact CB-CB 4.42Å; I93-L108 HydrophobicContact CG2-CD1 4.39Å; I93-L108 HydrophobicContact CG2-CD2 3.98Å; I93-L108 PolarHBondContact O-N 2.81Å; I93-F115 HydrophobicContact CB-CD1 4.2Å; I93-F115 HydrophobicContact CB-CG 4.38Å; I93-F115 HydrophobicContact CD1-CB 4.13Å; I93-F115 HydrophobicContact CD1-CD1 3.94Å; I93-F115 HydrophobicContact CD1-CD2 3.43Å; I93-F115 VanDerWaalsContact CD1-CD2 3.43Å; I93-F115 HydrophobicContact CD1-CE1 4.13Å; I93-F115 HydrophobicContact CD1-CE2 3.68Å; I93-F115 HydrophobicContact CD1-CG 3.58Å; I93-F115 HydrophobicContact CD1-CZ 4.02Å; I93-F115 HydrophobicContact CG1-CD1 3.98Å; I93-F115 HydrophobicContact CG1-CD2 4.35Å; I93-F115 HydrophobicContact CG1-CE1 4.08Å; I93-F115 HydrophobicContact CG1-CE2 4.46Å; I93-F115 HydrophobicContact CG1-CG 4.12Å; I93-F115 HydrophobicContact CG1-CZ 4.34Å; I93-F130 HydrophobicContact CG2-CD1 4.18Å; I93-C131 WeakPolarHBondContact CA-O 3.37Å; I93-V132 HydrophobicContact CD1-CG1 4.33Å; I93-V132 HydrophobicContact CD1-CG2 4.32Å; I93-V132 HydrophobicContact CG1-CG1 4.29Å; I93-V132 HydrophobicContact CG1-CG2 4.38Å; I93-V132 HydrophobicContact CG2-CG2 4.02Å
94F95.7Very high91.7Very high53 Ų5360.6 Ų60.623%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-125.9153.1177.3-53.6-96.1000110.6E92 K105 I106 P107 F130 C131E92-F94 HydrophobicContact CB-CE2 3.85Å; E92-F94 HydrophobicContact CB-CZ 4.36Å; F94-K105 HydrophobicContact CB-CB 3.78Å; F94-K105 HydrophobicContact CB-CD 4.45Å; F94-K105 HydrophobicContact CB-CG 4.41Å; F94-K105 HydrophobicContact CD1-CB 3.85Å; F94-K105 HydrophobicContact CG-CB 3.94Å; F94-K105 HydrophobicContact CG-CD 4.46Å; F94-I106 CarbonylContact C-O 3.49Å; F94-I106 WeakPolarHBondContact CA-O 3.45Å; F94-P107 HydrophobicContact CD1-CB 3.87Å; F94-P107 HydrophobicContact CE1-CB 3.79Å; F94-F130 CarbonylContact O-C 3.55Å; F94-F130 WeakPolarHBondContact O-CA 3.39Å; F94-C131 HydrophobicContact CB-CB 4.31Å; F94-C131 PolarHBondContact N-O 3.11Å; F94-C131 PolarHBondContact O-N 3.13Å
95V95.7Very high91.6Very high0 Ų065.3 Ų65.30%035%0.352CS..EExtended strand (participates in β ladder)trans-115.3142.716964.30000110.1F84 F99 I106 L108 Y128 F130F84-V95 HydrophobicContact CD1-CG2 4.07Å; F84-V95 HydrophobicContact CG-CG2 4.21Å; V95-F99 HydrophobicContact CG2-CZ 4.48Å; V95-I106 HydrophobicContact CG1-CB 3.92Å; V95-I106 HydrophobicContact CG1-CG2 4.39Å; V95-I106 PolarHBondContact N-O 3.12Å; V95-I106 PolarHBondContact O-N 3.42Å; V95-L108 HydrophobicContact CB-CD1 3.82Å; V95-L108 HydrophobicContact CG1-CD1 3.76Å; V95-Y128 HydrophobicContact CG2-CD2 4.1Å; V95-F130 HydrophobicContact CB-CD1 4.01Å; V95-F130 HydrophobicContact CB-CE1 3.87Å; V95-F130 HydrophobicContact CG2-CD1 4.3Å; V95-F130 HydrophobicContact CG2-CE1 4.03Å
96S95.1Very high91.5Very high0 Ų060.7 Ų60.70%034%0.338CS..EExtended strand (participates in β ladder)trans-143.9151173.3-161.10000108.8N100 W102 T104 Y128 K129S96-N100 PolarHBondContact OG-OD1 2.85Å; S96-W102 WeakPolarHBondContact O-CZ3 3.29Å; S96-W102 WeakPolarHBondContact OG-CA 3.21Å; S96-T104 WeakPolarHBondContact CB-O 3.47Å; S96-T104 PolarHBondContact OG-O 3.49Å; S96-Y128 CarbonylContact O-C 3.57Å; S96-Y128 VanDerWaalsContact O-CA 3.29Å; S96-Y128 WeakPolarHBondContact O-CA 3.36Å; S96-K129 PolarHBondContact N-O 3.13Å; S96-K129 VanDerWaalsContact N-O 3.13Å; S96-K129 PolarHBondContact O-N 3.45Å
97G93.9Very high91.6Very high0 Ų063.4 Ų63.40%036%0.358CS..EExtended strand (participates in β ladder)trans-166.8-170.7-174.300000114.9F99 N100 N101 W102 Q127G97-F99 PolarHBondContact O-N 3.37Å; G97-N100 PolarHBondContact N-OD1 2.9Å; G97-N100 PolarHBondContact O-N 3.33Å; G97-N100 PolarHBondContact O-OD1 2.75Å; G97-N101 PolarHBondContact O-N 3.27Å; G97-W102 PolarHBondContact O-N 2.75Å; G97-Q127 CarbonylContact C-O 3.54Å; G97-Q127 WeakPolarHBondContact CA-O 3.37Å
98S92.6Very high91.8Very high40 Ų4060.3 Ų60.328%0.2834%0.339SS..G310 helixtrans-60.4-34.7178.852.20000112.5N100 N101 H126 Q127S98-N100 PolarHBondContact O-N 3.06Å; S98-N101 PolarHBondContact O-N 3.29Å; S98-N101 VanDerWaalsContact O-N 3.13Å; S98-H126 WeakPolarHBondContact OG-CA 3.36Å; S98-Q127 PolarHBondContact N-O 3.42Å; S98-Q127 PolarHBondContact OG-N 3.19Å; S98-Q127 PolarHBondContact OG-O 2.91Å
99F91.4Very high92Very high49 Ų4964.8 Ų64.822%0.21536%0.355CS..G310 helixtrans-65.4-20.6-178.353-99.7000114.6F84 V95 G97 I106 V119 L121 H126F84-F99 HydrophobicContact CE2-CE1 4.26Å; F84-F99 HydrophobicContact CE2-CZ 4.39Å; F84-F99 AromaticContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CE1 3.88Å; F84-F99 HydrophobicContact CZ-CZ 4.37Å; V95-F99 HydrophobicContact CG2-CZ 4.48Å; G97-F99 PolarHBondContact O-N 3.37Å; F99-I106 HydrophobicContact CE2-CD1 3.8Å; F99-V119 HydrophobicContact CD2-CG1 4.06Å; F99-V119 HydrophobicContact CE2-CG1 3.99Å; F99-L121 HydrophobicContact CB-CD2 3.34Å; F99-L121 HydrophobicContact CD1-CD1 4.24Å; F99-L121 HydrophobicContact CD1-CD2 3.49Å; F99-L121 VanDerWaalsContact CD1-CD2 3.49Å; F99-L121 HydrophobicContact CD2-CD2 3.94Å; F99-L121 HydrophobicContact CE1-CD2 4.24Å; F99-L121 HydrophobicContact CG-CD2 3.3Å; F99-H126 HydrophobicContact CD1-CB 4.37Å
100N89.2Confident92.2Very high24 Ų2467.3 Ų67.313%0.12835%0.348CS..G310 helixtrans-12123.9173.371.5-15.2000112.6S96 G97 S98 W102 A103 T104S96-N100 PolarHBondContact OG-OD1 2.85Å; G97-N100 PolarHBondContact N-OD1 2.9Å; G97-N100 PolarHBondContact O-N 3.33Å; G97-N100 PolarHBondContact O-OD1 2.75Å; S98-N100 PolarHBondContact O-N 3.06Å; N100-W102 PolarHBondContact O-N 2.78Å; N100-W102 PolarHBondContact OD1-N 3.09Å; N100-A103 WeakPolarHBondContact O-CB 3.01Å; N100-A103 PolarHBondContact O-N 2.99Å; N100-T104 PolarHBondContact ND2-O 3.33Å; N100-T104 PolarHBondContact ND2-OG1 3.46Å
101N89.2Confident92.3Very high138 Ų13869.8 Ų69.874%0.73836%0.363SS*.THydrogen-bonded Turntrans51.329.1-178.8-62.7-47.1000113.8G97 S98 A103G97-N101 PolarHBondContact O-N 3.27Å; S98-N101 PolarHBondContact O-N 3.29Å; S98-N101 VanDerWaalsContact O-N 3.13Å; N101-A103 PolarHBondContact O-N 2.83Å
102W90.5Very high92.1Very high102 Ų10270.2 Ų70.239%0.38637%0.368SS..THydrogen-bonded Turntrans56.615.7-174.4-53.288.1000114.4S96 G97 N100 Q127 K129 N153S96-W102 WeakPolarHBondContact O-CZ3 3.29Å; S96-W102 WeakPolarHBondContact OG-CA 3.21Å; G97-W102 PolarHBondContact O-N 2.75Å; N100-W102 PolarHBondContact O-N 2.78Å; N100-W102 PolarHBondContact OD1-N 3.09Å; W102-Q127 HydrophobicContact CZ2-CB 4.12Å; W102-K129 HydrophobicContact CH2-CB 4.06Å; W102-K129 HydrophobicContact CZ3-CB 3.65Å; W102-N153 HydrophobicContact CH2-CB 4.31Å
103A86.4Confident91.8Very high82 Ų8270.9 Ų70.968%0.67838%0.375SS*.THydrogen-bonded Turntrans-84.3-37.9-170.100000112.4N100 N101N100-A103 WeakPolarHBondContact O-CB 3.01Å; N100-A103 PolarHBondContact O-N 2.99Å; N101-A103 PolarHBondContact O-N 2.83Å
104T90.5Very high91.6Very high80 Ų8073 Ų7349%0.49139%0.387SS..  trans-115.7152.9-178.559.50000111.5S96 N100S96-T104 WeakPolarHBondContact CB-O 3.47Å; S96-T104 PolarHBondContact OG-O 3.49Å; N100-T104 PolarHBondContact ND2-O 3.33Å; N100-T104 PolarHBondContact ND2-OG1 3.46Å
105K92.7Very high91.6Very high103 Ų10371.1 Ų71.145%0.44838%0.379SS..  trans-104.7111.2173.6-70.7-173-176.1-173.60107.9F94 P107 C131F94-K105 HydrophobicContact CB-CB 3.78Å; F94-K105 HydrophobicContact CB-CD 4.45Å; F94-K105 HydrophobicContact CB-CG 4.41Å; F94-K105 HydrophobicContact CD1-CB 3.85Å; F94-K105 HydrophobicContact CG-CB 3.94Å; F94-K105 HydrophobicContact CG-CD 4.46Å; K105-P107 WeakPolarHBondContact O-CD 3.46Å; K105-C131 PolarHBondContact NZ-SG 2.78Å; K105-C131 VanDerWaalsContact NZ-SG 3.36Å
106I94.3Very high91.5Very high46 Ų4672.6 Ų72.624%0.23639%0.391CS..EExtended strand (participates in β ladder)trans-83.4118.1179.2-57.7177.5000107.8F94 V95 F99 A117 V119F94-I106 CarbonylContact C-O 3.49Å; F94-I106 WeakPolarHBondContact CA-O 3.45Å; V95-I106 HydrophobicContact CG1-CB 3.92Å; V95-I106 HydrophobicContact CG1-CG2 4.39Å; V95-I106 PolarHBondContact N-O 3.12Å; V95-I106 PolarHBondContact O-N 3.42Å; F99-I106 HydrophobicContact CE2-CD1 3.8Å; I106-A117 HydrophobicContact CG2-CB 4.5Å; I106-V119 HydrophobicContact CD1-CG1 4.23Å; I106-V119 HydrophobicContact CD1-CG2 3.9Å; I106-V119 HydrophobicContact CG2-CG2 4.48Å
107P95.1Very high91.5Very high80 Ų8073 Ų7352%0.51939%0.394SS..EExtended strand (participates in β ladder)trans-68.8138.3-179.927.7-33.3000111F94 K105F94-P107 HydrophobicContact CD1-CB 3.87Å; F94-P107 HydrophobicContact CE1-CB 3.79Å; K105-P107 WeakPolarHBondContact O-CD 3.46Å
108L95.7Very high91.6Very high14 Ų1477.6 Ų77.67%0.07342%0.422CS..PPolyproline II helixtrans-88.1139.1170.6-8167.3000110.2W86 I93 V95 F115 A117 F130W86-L108 HydrophobicContact CB-CD2 4.03Å; I93-L108 HydrophobicContact CB-CB 4.42Å; I93-L108 HydrophobicContact CG2-CD1 4.39Å; I93-L108 HydrophobicContact CG2-CD2 3.98Å; I93-L108 PolarHBondContact O-N 2.81Å; V95-L108 HydrophobicContact CB-CD1 3.82Å; V95-L108 HydrophobicContact CG1-CD1 3.76Å; L108-F115 HydrophobicContact CB-CB 3.84Å; L108-F115 HydrophobicContact CD2-CB 3.82Å; L108-F115 HydrophobicContact CG-CB 4.49Å; L108-A117 HydrophobicContact CD1-CB 4.27Å; L108-A117 HydrophobicContact CG-CB 4Å; L108-F130 HydrophobicContact CD1-CD1 4.4Å; L108-F130 HydrophobicContact CD1-CE1 4.2Å; L108-F130 HydrophobicContact CD2-CD1 4.19Å; L108-F130 HydrophobicContact CD2-CE1 3.68Å
109N94.3Very high91.7Very high126 Ų12676.6 Ų76.667%0.67441%0.414SS*.EExtended strand (participates in β ladder)trans-77.8127174.8-66.7-42.2000109.9F115 A116N109-F115 WeakPolarHBondContact O-CA 3.48Å; N109-A116 PolarHBondContact N-O 2.81Å; N109-A116 PolarHBondContact O-N 3.06Å
110K92.6Very high91.8Very high149 Ų14979.1 Ų79.165%0.64843%0.43SS*.EExtended strand (participates in β ladder)trans-77.9125177.6-173.9173.4-177175.70110.8F115K110-F115 HydrophobicContact CB-CD1 3.77Å; K110-F115 HydrophobicContact CB-CE1 3.5Å; K110-F115 VanDerWaalsContact CB-CE1 3.5Å; K110-F115 HydrophobicContact CB-CZ 4.18Å; K110-F115 HydrophobicContact CD-CE1 3.71Å; K110-F115 HydrophobicContact CD-CZ 3.64Å; K110-F115 HydrophobicContact CG-CD1 4.08Å; K110-F115 HydrophobicContact CG-CE1 3.51Å; K110-F115 HydrophobicContact CG-CE2 4.34Å; K110-F115 HydrophobicContact CG-CZ 3.65Å
111S88.1Confident92Very high69 Ų6978 Ų7848%0.48342%0.424SS..  trans-105.8-170.7166.6-172.80000110N114S111-N114 WeakPolarHBondContact CA-O 3.36Å; S111-N114 VanDerWaalsContact CB-O 3.28Å; S111-N114 WeakPolarHBondContact CB-O 3.41Å; S111-N114 WeakPolarHBondContact CB-OD1 3.46Å; S111-N114 PolarHBondContact N-O 3.17Å
112Q84.8Confident92.2Very high185 Ų18573.3 Ų73.386%0.86440%0.401SS*.SBendtrans-62.9-42.9-178.4-65.7-179-4.400112.3
113N85.7Confident92.3Very high144 Ų14473 Ų7377%0.7740%0.403SS*.SBendtrans-125.6-5.3-172.2-74.351.7000114.1
114N91.1Very high92.6Very high49 Ų4970.1 Ų70.126%0.26238%0.382SS..  trans-149.5162.3-176.660.5-13.1000111.9R85 W86 S111R85-N114 HydrophobicContact CG-CB 4.26Å; W86-N114 WeakPolarHBondContact O-CA 3.32Å; S111-N114 WeakPolarHBondContact CA-O 3.36Å; S111-N114 VanDerWaalsContact CB-O 3.28Å; S111-N114 WeakPolarHBondContact CB-O 3.41Å; S111-N114 WeakPolarHBondContact CB-OD1 3.46Å; S111-N114 PolarHBondContact N-O 3.17Å
115F94.3Very high92.8Very high14 Ų1471.4 Ų71.46%0.06138%0.383CS..EExtended strand (participates in β ladder)trans-111.3136.4169.7-67.1-103.2000107.9R85 W86 G90 I93 L108 N109 K110R85-F115 CarbonylContact C-O 3.58Å; R85-F115 WeakPolarHBondContact CA-O 3.17Å; W86-F115 HydrophobicContact CB-CB 4.26Å; W86-F115 PolarHBondContact N-O 2.83Å; W86-F115 PolarHBondContact O-N 2.91Å; G90-F115 WeakPolarHBondContact O-CZ 3.31Å; I93-F115 HydrophobicContact CB-CD1 4.2Å; I93-F115 HydrophobicContact CB-CG 4.38Å; I93-F115 HydrophobicContact CD1-CB 4.13Å; I93-F115 HydrophobicContact CD1-CD1 3.94Å; I93-F115 HydrophobicContact CD1-CD2 3.43Å; I93-F115 VanDerWaalsContact CD1-CD2 3.43Å; I93-F115 HydrophobicContact CD1-CE1 4.13Å; I93-F115 HydrophobicContact CD1-CE2 3.68Å; I93-F115 HydrophobicContact CD1-CG 3.58Å; I93-F115 HydrophobicContact CD1-CZ 4.02Å; I93-F115 HydrophobicContact CG1-CD1 3.98Å; I93-F115 HydrophobicContact CG1-CD2 4.35Å; I93-F115 HydrophobicContact CG1-CE1 4.08Å; I93-F115 HydrophobicContact CG1-CE2 4.46Å; I93-F115 HydrophobicContact CG1-CG 4.12Å; I93-F115 HydrophobicContact CG1-CZ 4.34Å; L108-F115 HydrophobicContact CB-CB 3.84Å; L108-F115 HydrophobicContact CD2-CB 3.82Å; L108-F115 HydrophobicContact CG-CB 4.49Å; N109-F115 WeakPolarHBondContact O-CA 3.48Å; K110-F115 HydrophobicContact CB-CD1 3.77Å; K110-F115 HydrophobicContact CB-CE1 3.5Å; K110-F115 VanDerWaalsContact CB-CE1 3.5Å; K110-F115 HydrophobicContact CB-CZ 4.18Å; K110-F115 HydrophobicContact CD-CE1 3.71Å; K110-F115 HydrophobicContact CD-CZ 3.64Å; K110-F115 HydrophobicContact CG-CD1 4.08Å; K110-F115 HydrophobicContact CG-CE1 3.51Å; K110-F115 HydrophobicContact CG-CE2 4.34Å; K110-F115 HydrophobicContact CG-CZ 3.65Å
116A95Very high92.8Very high30 Ų3067.3 Ų67.325%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-144148.7-18000000113.4F84 N109F84-A116 CarbonylContact O-C 3.55Å; F84-A116 VanDerWaalsContact O-CA 3.22Å; F84-A116 WeakPolarHBondContact O-CA 3.22Å; N109-A116 PolarHBondContact N-O 2.81Å; N109-A116 PolarHBondContact O-N 3.06Å
117A94.9Very high92.9Very high8 Ų867.1 Ų67.17%0.06636%0.363CS..EExtended strand (participates in β ladder)trans-137.7144.9168.500000109.2F84 I106 L108F84-A117 PolarHBondContact N-O 2.87Å; F84-A117 PolarHBondContact O-N 2.92Å; I106-A117 HydrophobicContact CG2-CB 4.5Å; L108-A117 HydrophobicContact CD1-CB 4.27Å; L108-A117 HydrophobicContact CG-CB 4Å
118V95.3Very high92.9Very high98 Ų9863.9 Ų63.959%0.59434%0.341SS*.EExtended strand (participates in β ladder)trans-105.1124.4171.4-174.70000107.1P81 T82 V83P81-V118 HydrophobicContact CB-CG1 3.65Å; T82-V118 WeakPolarHBondContact O-CA 3.36Å; V83-V118 HydrophobicContact CG2-CG2 4.3Å
119V94.5Very high92.8Very high18 Ų1865.2 Ų65.211%0.10935%0.346CS..EExtended strand (participates in β ladder)trans-126.5128.4180-176.40000107.8T82 F84 F99 I106 L121T82-V119 WeakPolarHBondContact CB-O 3.41Å; T82-V119 PolarHBondContact N-O 2.86Å; T82-V119 PolarHBondContact O-N 3.08Å; F84-V119 HydrophobicContact CD2-CB 4.18Å; F84-V119 HydrophobicContact CD2-CG2 3.98Å; F84-V119 HydrophobicContact CE2-CB 4.02Å; F84-V119 HydrophobicContact CE2-CG2 4.22Å; F99-V119 HydrophobicContact CD2-CG1 4.06Å; F99-V119 HydrophobicContact CE2-CG1 3.99Å; I106-V119 HydrophobicContact CD1-CG1 4.23Å; I106-V119 HydrophobicContact CD1-CG2 3.9Å; I106-V119 HydrophobicContact CG2-CG2 4.48Å; V119-L121 HydrophobicContact CG1-CD2 3.82Å; V119-L121 HydrophobicContact CG1-CG 4.41Å; V119-L121 PolarHBondContact O-N 2.87Å
120D94.3Very high92.9Very high103 Ų10359.2 Ų59.255%0.55131%0.314SS*.EExtended strand (participates in β ladder)trans-76.2118176.8-63.1-34.4000109.6A79 K80 P81A79-D120 HydrophobicContact CB-CB 3.7Å; K80-D120 WeakPolarHBondContact O-CA 3.26Å; P81-D120 WeakPolarHBondContact CA-OD1 3.39Å; P81-D120 WeakPolarHBondContact CB-OD1 3.32Å
121L93.6Very high92.9Very high1 Ų152.2 Ų52.21%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-120.4137.8-177.8-61.4-174.9000110.8A79 K80 T82 F84 F99 V119 H126 I156 V158A79-L121 CarbonylContact C-O 3.58Å; A79-L121 WeakPolarHBondContact CA-O 3.19Å; K80-L121 PolarHBondContact N-O 3.19Å; K80-L121 PolarHBondContact O-N 3.07Å; T82-L121 HydrophobicContact CG2-CD1 4.05Å; F84-L121 HydrophobicContact CE2-CD1 3.86Å; F84-L121 HydrophobicContact CZ-CD1 3.76Å; F99-L121 HydrophobicContact CB-CD2 3.34Å; F99-L121 HydrophobicContact CD1-CD1 4.24Å; F99-L121 HydrophobicContact CD1-CD2 3.49Å; F99-L121 VanDerWaalsContact CD1-CD2 3.49Å; F99-L121 HydrophobicContact CD2-CD2 3.94Å; F99-L121 HydrophobicContact CE1-CD2 4.24Å; F99-L121 HydrophobicContact CG-CD2 3.3Å; V119-L121 HydrophobicContact CG1-CD2 3.82Å; V119-L121 HydrophobicContact CG1-CG 4.41Å; V119-L121 PolarHBondContact O-N 2.87Å; L121-H126 HydrophobicContact CD1-CB 4.2Å; L121-I156 HydrophobicContact CD1-CG2 4.43Å; L121-V158 HydrophobicContact CB-CG2 4.15Å; L121-V158 HydrophobicContact CD1-CG2 4.19Å
122P92.7Very high93.3Very high39 Ų3949.6 Ų49.625%0.25327%0.265SS..  trans-65.8158.5170.730.1-34.5000110.5G124 H126P122-G124 PolarHBondContact O-N 2.89Å; P122-H126 PolarHBondContact O-NE2 3.47Å
123E92.3Very high93.6Very high94 Ų9444.9 Ų44.944%0.43925%0.246SC..SBendtrans-58135.5173.6-64.7-178.2-171.800111.1K80 V158 R160K80-E123 WeakPolarHBondContact CE-OE1 3.19Å; K80-E123 IonicContact NZ-OE1 3.43Å; K80-E123 PolarHBondContact NZ-OE1 2.8Å; E123-V158 WeakPolarHBondContact CA-O 3.39Å; E123-R160 VanDerWaalsContact OE1-CA 3.3Å; E123-R160 WeakPolarHBondContact OE1-CA 3.39Å; E123-R160 WeakPolarHBondContact OE1-CB 3.36Å; E123-R160 WeakPolarHBondContact OE1-CG 3.2Å
124G92.5Very high93.9Very high23 Ų2340.4 Ų40.424%0.23723%0.233CC..EExtended strand (participates in β ladder)trans139.1-173.3-177.900000114.1P122 H126 V158P122-G124 PolarHBondContact O-N 2.89Å; G124-H126 PolarHBondContact O-CD2 2.76Å; G124-V158 PolarHBondContact N-O 2.89Å; G124-V158 PolarHBondContact O-N 3.43Å
125E94.4Very high94Very high106 Ų10644.7 Ų44.750%0.49525%0.252SS..EExtended strand (participates in β ladder)trans-86.7127.3177.4-170.5-174.7108.300110.1L145 V155E125-L145 WeakPolarHBondContact OE1-CD2 3.13Å; E125-V155 HydrophobicContact CG-CG2 3.27Å
126H94.6Very high93.9Very high17 Ų1749.3 Ų49.38%0.07927%0.269CS..EExtended strand (participates in β ladder)trans-124.6129.6176.6-63.7-78.8000111S98 F99 L121 P122 G124 V155 I156S98-H126 WeakPolarHBondContact OG-CA 3.36Å; F99-H126 HydrophobicContact CD1-CB 4.37Å; L121-H126 HydrophobicContact CD1-CB 4.2Å; P122-H126 PolarHBondContact O-NE2 3.47Å; G124-H126 PolarHBondContact O-CD2 2.76Å; H126-V155 WeakPolarHBondContact O-CA 3.44Å; H126-I156 HydrophobicContact CB-CG2 3.91Å; H126-I156 PolarHBondContact N-O 3.29Å; H126-I156 PolarHBondContact O-N 3.38Å
127Q94.8Very high93.8Very high42 Ų4250 Ų5020%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-93.2141174.2-64.9-179.528.600109.9G97 S98 W102 L145 N153 N154G97-Q127 CarbonylContact C-O 3.54Å; G97-Q127 WeakPolarHBondContact CA-O 3.37Å; S98-Q127 PolarHBondContact N-O 3.42Å; S98-Q127 PolarHBondContact OG-N 3.19Å; S98-Q127 PolarHBondContact OG-O 2.91Å; W102-Q127 HydrophobicContact CZ2-CB 4.12Å; Q127-L145 HydrophobicContact CG-CD2 4.33Å; Q127-N153 HydrophobicContact CB-CB 4.26Å; Q127-N153 PolarHBondContact OE1-ND2 2.97Å; Q127-N153 VanDerWaalsContact OE1-ND2 3.08Å; Q127-N154 CarbonylContact C-O 3.54Å; Q127-N154 VanDerWaalsContact CA-O 3.26Å; Q127-N154 WeakPolarHBondContact CA-O 3.22Å
128Y95.1Very high93.7Very high13 Ų1352 Ų525%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-148.8165.1179.870.6-82.3000112.3F84 V95 S96 F130 N154 I156F84-Y128 HydrophobicContact CD1-CD1 4.44Å; F84-Y128 AromaticContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CD2 3.8Å; F84-Y128 HydrophobicContact CD1-CE1 4.48Å; F84-Y128 AromaticContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CE2 3.86Å; F84-Y128 HydrophobicContact CD1-CG 4.1Å; F84-Y128 AromaticContact CE1-CD1 3.62Å; F84-Y128 HydrophobicContact CE1-CD1 3.62Å; F84-Y128 AromaticContact CE1-CD2 3.72Å; F84-Y128 HydrophobicContact CE1-CD2 3.72Å; F84-Y128 AromaticContact CE1-CE1 3.88Å; F84-Y128 HydrophobicContact CE1-CE1 3.88Å; F84-Y128 AromaticContact CE1-CE2 3.99Å; F84-Y128 HydrophobicContact CE1-CE2 3.99Å; F84-Y128 AromaticContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CE1-CG 3.52Å; F84-Y128 HydrophobicContact CZ-CD1 4.5Å; F84-Y128 HydrophobicContact CZ-CG 4.46Å; V95-Y128 HydrophobicContact CG2-CD2 4.1Å; S96-Y128 CarbonylContact O-C 3.57Å; S96-Y128 VanDerWaalsContact O-CA 3.29Å; S96-Y128 WeakPolarHBondContact O-CA 3.36Å; Y128-F130 HydrophobicContact CD2-CE2 4.17Å; Y128-F130 HydrophobicContact CD2-CZ 4.41Å; Y128-F130 HydrophobicContact CE2-CD2 4.21Å; Y128-F130 AromaticContact CE2-CE2 3.56Å; Y128-F130 HydrophobicContact CE2-CE2 3.56Å; Y128-F130 AromaticContact CE2-CZ 3.99Å; Y128-F130 HydrophobicContact CE2-CZ 3.99Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.02Å; Y128-N154 HydrophobicContact CE1-CB 3.43Å; Y128-N154 VanDerWaalsContact CE1-CB 3.43Å; Y128-N154 HydrophobicContact CE2-CB 3.59Å; Y128-N154 HydrophobicContact CG-CB 4.14Å; Y128-N154 PolarHBondContact N-O 3.26Å; Y128-N154 PolarHBondContact O-N 2.91Å; Y128-I156 HydrophobicContact CD1-CB 4.47Å; Y128-I156 HydrophobicContact CD1-CG2 4.1Å; Y128-I156 HydrophobicContact CE1-CB 4Å; Y128-I156 HydrophobicContact CE1-CG2 4.11Å
129K94.6Very high93.4Very high42 Ų4248 Ų4818%0.18326%0.255CS..EExtended strand (participates in β ladder)trans-148.2147.7174.3-156.7165.4-168.9165.60110.6S96 W102 W136 T137 L138 V152S96-K129 PolarHBondContact N-O 3.13Å; S96-K129 VanDerWaalsContact N-O 3.13Å; S96-K129 PolarHBondContact O-N 3.45Å; W102-K129 HydrophobicContact CH2-CB 4.06Å; W102-K129 HydrophobicContact CZ3-CB 3.65Å; K129-W136 HydrophobicContact CB-CE3 3.88Å; K129-W136 HydrophobicContact CB-CZ3 4.09Å; K129-W136 HydrophobicContact CD-CB 4.02Å; K129-W136 HydrophobicContact CD-CD2 4.48Å; K129-W136 HydrophobicContact CD-CE3 4.07Å; K129-W136 HydrophobicContact CG-CE3 3.86Å; K129-T137 WeakPolarHBondContact CG-O 3.4Å; K129-L138 HydrophobicContact CD-CD2 4.35Å; K129-L138 HydrophobicContact CG-CD2 4.08Å; K129-V152 PolarHBondContact NZ-O 3.11Å
130F95.5Very high93.1Very high0 Ų052.8 Ų52.80%029%0.286CS..EExtended strand (participates in β ladder)trans-91.6142.6173.8-70.2-71.5000110.6F84 W86 I93 F94 V95 L108 Y128 V132 W136 T137 D139F84-F130 HydrophobicContact CB-CE1 4.35Å; F84-F130 HydrophobicContact CB-CZ 4.22Å; F84-F130 HydrophobicContact CD1-CZ 4.49Å; W86-F130 HydrophobicContact CB-CE1 4.44Å; W86-F130 HydrophobicContact CE3-CB 4.09Å; W86-F130 AromaticContact CE3-CD2 3.44Å; W86-F130 HydrophobicContact CE3-CD2 3.44Å; W86-F130 VanDerWaalsContact CE3-CD2 3.44Å; W86-F130 AromaticContact CE3-CE2 3.93Å; W86-F130 HydrophobicContact CE3-CE2 3.93Å; W86-F130 AromaticContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CE3-CG 3.77Å; W86-F130 HydrophobicContact CZ3-CB 4.21Å; W86-F130 AromaticContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CD2 3.81Å; W86-F130 HydrophobicContact CZ3-CG 4.24Å; I93-F130 HydrophobicContact CG2-CD1 4.18Å; F94-F130 CarbonylContact O-C 3.55Å; F94-F130 WeakPolarHBondContact O-CA 3.39Å; V95-F130 HydrophobicContact CB-CD1 4.01Å; V95-F130 HydrophobicContact CB-CE1 3.87Å; V95-F130 HydrophobicContact CG2-CD1 4.3Å; V95-F130 HydrophobicContact CG2-CE1 4.03Å; L108-F130 HydrophobicContact CD1-CD1 4.4Å; L108-F130 HydrophobicContact CD1-CE1 4.2Å; L108-F130 HydrophobicContact CD2-CD1 4.19Å; L108-F130 HydrophobicContact CD2-CE1 3.68Å; Y128-F130 HydrophobicContact CD2-CE2 4.17Å; Y128-F130 HydrophobicContact CD2-CZ 4.41Å; Y128-F130 HydrophobicContact CE2-CD2 4.21Å; Y128-F130 AromaticContact CE2-CE2 3.56Å; Y128-F130 HydrophobicContact CE2-CE2 3.56Å; Y128-F130 AromaticContact CE2-CZ 3.99Å; Y128-F130 HydrophobicContact CE2-CZ 3.99Å; F130-V132 HydrophobicContact CB-CG2 4.37Å; F130-W136 CarbonylContact O-C 3.57Å; F130-W136 WeakPolarHBondContact O-CA 3.46Å; F130-T137 PolarHBondContact N-O 3.47Å; F130-T137 PolarHBondContact O-N 3.01Å; F130-D139 HydrophobicContact CD2-CB 4.28Å; F130-D139 HydrophobicContact CE2-CB 3.99Å
131C94.1Very high92.8Very high1 Ų153.2 Ų53.21%0.00729%0.292CS..EExtended strand (participates in β ladder)trans-113.6103.6169.4-173.40000107.5I93 F94 K105 Q135 W136I93-C131 WeakPolarHBondContact CA-O 3.37Å; F94-C131 HydrophobicContact CB-CB 4.31Å; F94-C131 PolarHBondContact N-O 3.11Å; F94-C131 PolarHBondContact O-N 3.13Å; K105-C131 PolarHBondContact NZ-SG 2.78Å; K105-C131 VanDerWaalsContact NZ-SG 3.36Å; C131-Q135 CarbonylContact C-O 3.49Å; C131-Q135 VanDerWaalsContact CA-O 3.3Å; C131-Q135 WeakPolarHBondContact CA-O 3.41Å; C131-W136 HydrophobicContact CB-CD2 4.16Å; C131-W136 HydrophobicContact CB-CE3 3.81Å; C131-W136 HydrophobicContact CB-CH2 4.17Å; C131-W136 HydrophobicContact CB-CZ2 4.48Å; C131-W136 HydrophobicContact CB-CZ3 3.81Å
132V94.6Very high92.5Very high14 Ų1454.2 Ų54.29%0.08530%0.302CS..EExtended strand (participates in β ladder)trans-105.2118-177.6-178.60000108.2W86 A89 I93 F130 G134 Q135 T137W86-V132 HydrophobicContact CD2-CG2 4.3Å; W86-V132 HydrophobicContact CH2-CG2 4.35Å; W86-V132 HydrophobicContact CZ2-CG2 3.79Å; A89-V132 WeakPolarHBondContact O-CG1 3.3Å; I93-V132 HydrophobicContact CD1-CG1 4.33Å; I93-V132 HydrophobicContact CD1-CG2 4.32Å; I93-V132 HydrophobicContact CG1-CG1 4.29Å; I93-V132 HydrophobicContact CG1-CG2 4.38Å; I93-V132 HydrophobicContact CG2-CG2 4.02Å; F130-V132 HydrophobicContact CB-CG2 4.37Å; V132-G134 PolarHBondContact O-N 3.03Å; V132-G134 VanDerWaalsContact O-N 3.08Å; V132-Q135 PolarHBondContact N-O 2.82Å; V132-Q135 PolarHBondContact O-N 2.92Å; V132-T137 WeakPolarHBondContact CG2-OG1 3.46Å
133D92.8Very high92.4Very high87 Ų8755.3 Ų55.347%0.46532%0.315SS..THydrogen-bonded Turntrans50.337.1179.9-60.1-27.7000113K91 E92K91-D133 WeakPolarHBondContact CA-OD1 3.39Å; K91-D133 WeakPolarHBondContact CB-OD1 3.43Å; K91-D133 PolarHBondContact N-OD1 2.99Å; K91-D133 PolarHBondContact N-OD2 3.46Å; E92-D133 PolarHBondContact N-OD1 3.17Å; E92-D133 PolarHBondContact O-N 2.84Å
134G90.5Very high92.4Very high49 Ų4954.8 Ų54.851%0.50532%0.318SS..THydrogen-bonded Turntrans87-7.7-179.700000115.6V132V132-G134 PolarHBondContact O-N 3.03Å; V132-G134 VanDerWaalsContact O-N 3.08Å
135Q92.8Very high92.3Very high140 Ų14056.6 Ų56.665%0.65432%0.322SS*.EExtended strand (participates in β ladder)trans-100.7137.6178.9-64-59.3-39.400111.9C131 V132C131-Q135 CarbonylContact C-O 3.49Å; C131-Q135 VanDerWaalsContact CA-O 3.3Å; C131-Q135 WeakPolarHBondContact CA-O 3.41Å; V132-Q135 PolarHBondContact N-O 2.82Å; V132-Q135 PolarHBondContact O-N 2.92Å
136W92.9Very high92.2Very high111 Ų11155.9 Ų55.942%0.4233%0.325SS..EExtended strand (participates in β ladder)trans-82.7118178.7-71.5107.5000111.3K129 F130 C131K129-W136 HydrophobicContact CB-CE3 3.88Å; K129-W136 HydrophobicContact CB-CZ3 4.09Å; K129-W136 HydrophobicContact CD-CB 4.02Å; K129-W136 HydrophobicContact CD-CD2 4.48Å; K129-W136 HydrophobicContact CD-CE3 4.07Å; K129-W136 HydrophobicContact CG-CE3 3.86Å; F130-W136 CarbonylContact O-C 3.57Å; F130-W136 WeakPolarHBondContact O-CA 3.46Å; C131-W136 HydrophobicContact CB-CD2 4.16Å; C131-W136 HydrophobicContact CB-CE3 3.81Å; C131-W136 HydrophobicContact CB-CH2 4.17Å; C131-W136 HydrophobicContact CB-CZ2 4.48Å; C131-W136 HydrophobicContact CB-CZ3 3.81Å
137T92.7Very high91.8Very high44 Ų4457.1 Ų57.127%0.2733%0.334SS..EExtended strand (participates in β ladder)trans-126.2157.3-177.561.30000111.2W86 K129 F130 V132W86-T137 WeakPolarHBondContact CH2-OG1 3.49Å; K129-T137 WeakPolarHBondContact CG-O 3.4Å; F130-T137 PolarHBondContact N-O 3.47Å; F130-T137 PolarHBondContact O-N 3.01Å; V132-T137 WeakPolarHBondContact CG2-OG1 3.46Å
138L92.4Very high91.2Very high51 Ų5165.5 Ų65.527%0.26737%0.369SS..  trans-101149.8173.1-62172.1000109.5W86 K129 P140 V144 V152 N154W86-L138 WeakPolarHBondContact CZ3-O 3.37Å; K129-L138 HydrophobicContact CD-CD2 4.35Å; K129-L138 HydrophobicContact CG-CD2 4.08Å; L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.49Å; L138-V144 HydrophobicContact CD1-CG1 4.33Å; L138-V152 HydrophobicContact CD1-CB 4.1Å; L138-V152 HydrophobicContact CD1-CG1 3.6Å; L138-N154 WeakPolarHBondContact CA-OD1 3.35Å; L138-N154 WeakPolarHBondContact CB-OD1 3.22Å; L138-N154 VanDerWaalsContact CD2-OD1 3.31Å; L138-N154 WeakPolarHBondContact CD2-OD1 3.25Å
139D90.9Very high90.6Very high14 Ų1470.3 Ų70.38%0.07540%0.401CS..  trans-67.5119166.5-174.2-10.2000109.3F130 T141 G142 N154F130-D139 HydrophobicContact CD2-CB 4.28Å; F130-D139 HydrophobicContact CE2-CB 3.99Å; D139-T141 PolarHBondContact O-N 3.37Å; D139-T141 PolarHBondContact OD1-N 3.27Å; D139-T141 PolarHBondContact OD1-OG1 3.24Å; D139-T141 PolarHBondContact OD2-OG1 3.37Å; D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 3.08Å; D139-N154 PolarHBondContact N-OD1 3.18Å; D139-N154 PolarHBondContact O-ND2 3.22Å; D139-N154 VanDerWaalsContact O-ND2 3.12Å
140P88.3Confident90.2Very high118 Ų11871 Ų7177%0.76642%0.419SS*.SBendtrans-65.3-22.2176.5-19.432.7000113.8L138L138-P140 VanDerWaalsContact O-CD 3.32Å; L138-P140 WeakPolarHBondContact O-CD 3.49Å
141T87.5Confident89.8Confident112 Ų11274.2 Ų74.269%0.68744%0.439SS*.SBendtrans-95.1-19.1-178.664.90000113.1D139D139-T141 PolarHBondContact O-N 3.37Å; D139-T141 PolarHBondContact OD1-N 3.27Å; D139-T141 PolarHBondContact OD1-OG1 3.24Å; D139-T141 PolarHBondContact OD2-OG1 3.37Å
142G86.8Confident89.7Confident21 Ų2176.6 Ų76.622%0.21645%0.454CS..SBendtrans-83.1153.6-179.100000112.9D139D139-G142 PolarHBondContact O-N 3.27Å; D139-G142 PolarHBondContact OD1-N 3.08Å
143A90.4Very high89.7Confident62 Ų6276.5 Ų76.551%0.51245%0.453SS..  trans-61.4148.1170.400000110.9N154 V155A143-N154 CarbonylContact O-C 3.39Å; A143-N154 VanDerWaalsContact O-CA 3.22Å; A143-N154 WeakPolarHBondContact O-CA 3.35Å; A143-N154 PolarHBondContact O-ND2 2.98Å; A143-V155 HydrophobicContact CB-CG1 3.75Å; A143-V155 PolarHBondContact O-N 3.39Å
144V92.6Very high89.8Confident83 Ų8372.4 Ų72.450%0.50343%0.431SS..EExtended strand (participates in β ladder)trans-122.6145179.8-65.60000111.1L138 V152 N153L138-V144 HydrophobicContact CD1-CG1 4.33Å; V144-V152 HydrophobicContact CB-CG1 4.14Å; V144-N153 CarbonylContact C-O 3.52Å; V144-N153 WeakPolarHBondContact CA-O 3.23Å
145L90.8Very high90.1Very high61 Ų6171.2 Ų71.232%0.31941%0.414SS..EExtended strand (participates in β ladder)trans-128130.9175.2-173.874.5000109.6E125 Q127 N153 V155E125-L145 WeakPolarHBondContact OE1-CD2 3.13Å; Q127-L145 HydrophobicContact CG-CD2 4.33Å; L145-N153 PolarHBondContact N-O 3.07Å; L145-N153 PolarHBondContact O-N 2.95Å; L145-V155 HydrophobicContact CB-CB 4.07Å; L145-V155 HydrophobicContact CB-CG1 4.12Å
146T91.6Very high90.1Very high92 Ų9266.7 Ų66.756%0.56439%0.393SS*.EExtended strand (participates in β ladder)trans-95.5116.4174.3-560000109.5V152T146-V152 HydrophobicContact CG2-CG2 4.28Å
147T85.9Confident90.2Very high43 Ų4365.9 Ų65.926%0.26439%0.394SS..  trans-71.9156.4177.7-57.40000110.5T149 G150 T151T147-T149 PolarHBondContact O-N 3Å; T147-G150 PolarHBondContact O-N 3.39Å; T147-T151 PolarHBondContact N-O 2.86Å
148K83.6Confident90.2Very high217 Ų21764 Ų6494%0.94338%0.383SS*.THydrogen-bonded Turntrans-53.3-24.1176.7-60.8-179.9-177.7177.80114.2G150K148-G150 VanDerWaalsContact C-N 3.29Å
149T82.1Confident90.2Very high115 Ų11566 Ų6671%0.70639%0.389SS*.THydrogen-bonded Turntrans-83.11176.954.10000113.7T147T147-T149 PolarHBondContact O-N 3Å
150G84.9Confident90Very high56 Ų5672.3 Ų72.358%0.57741%0.412SS*.SBendtrans84.12.3-179.300000115T147 K148T147-G150 PolarHBondContact O-N 3.39Å; K148-G150 VanDerWaalsContact C-N 3.29Å
151T87.5Confident90Very high67 Ų6768.3 Ų68.341%0.41139%0.385SS..  trans-81129.9176.3-55.50000110.7T147T147-T151 PolarHBondContact N-O 2.86Å
152V92.8Very high90.1Very high52 Ų5266.3 Ų66.332%0.31537%0.371SS..EExtended strand (participates in β ladder)trans-97.8125.6175.4-170.30000109.7K129 L138 V144 T146K129-V152 PolarHBondContact NZ-O 3.11Å; L138-V152 HydrophobicContact CD1-CB 4.1Å; L138-V152 HydrophobicContact CD1-CG1 3.6Å; V144-V152 HydrophobicContact CB-CG1 4.14Å; T146-V152 HydrophobicContact CG2-CG2 4.28Å
153N94.1Very high90.2Very high12 Ų1268.4 Ų68.46%0.06437%0.374CS..EExtended strand (participates in β ladder)trans-127.4157.6177.4-65.9-30.9000109.8W102 Q127 V144 L145W102-N153 HydrophobicContact CH2-CB 4.31Å; Q127-N153 HydrophobicContact CB-CB 4.26Å; Q127-N153 PolarHBondContact OE1-ND2 2.97Å; Q127-N153 VanDerWaalsContact OE1-ND2 3.08Å; V144-N153 CarbonylContact C-O 3.52Å; V144-N153 WeakPolarHBondContact CA-O 3.23Å; L145-N153 PolarHBondContact N-O 3.07Å; L145-N153 PolarHBondContact O-N 2.95Å
154N95.3Very high90.3Very high0 Ų070.4 Ų70.40%037%0.373CS..EExtended strand (participates in β ladder)trans-75.7153.4166.4-70.8103.4000109.6Q127 Y128 L138 D139 A143Q127-N154 CarbonylContact C-O 3.54Å; Q127-N154 VanDerWaalsContact CA-O 3.26Å; Q127-N154 WeakPolarHBondContact CA-O 3.22Å; Y128-N154 HydrophobicContact CD1-CB 3.85Å; Y128-N154 HydrophobicContact CD2-CB 4.02Å; Y128-N154 HydrophobicContact CE1-CB 3.43Å; Y128-N154 VanDerWaalsContact CE1-CB 3.43Å; Y128-N154 HydrophobicContact CE2-CB 3.59Å; Y128-N154 HydrophobicContact CG-CB 4.14Å; Y128-N154 PolarHBondContact N-O 3.26Å; Y128-N154 PolarHBondContact O-N 2.91Å; L138-N154 WeakPolarHBondContact CA-OD1 3.35Å; L138-N154 WeakPolarHBondContact CB-OD1 3.22Å; L138-N154 VanDerWaalsContact CD2-OD1 3.31Å; L138-N154 WeakPolarHBondContact CD2-OD1 3.25Å; D139-N154 PolarHBondContact N-OD1 3.18Å; D139-N154 PolarHBondContact O-ND2 3.22Å; D139-N154 VanDerWaalsContact O-ND2 3.12Å; A143-N154 CarbonylContact O-C 3.39Å; A143-N154 VanDerWaalsContact O-CA 3.22Å; A143-N154 WeakPolarHBondContact O-CA 3.35Å; A143-N154 PolarHBondContact O-ND2 2.98Å
155V95.3Very high90.2Very high25 Ų2571.3 Ų71.315%0.15238%0.378CS..EExtended strand (participates in β ladder)trans-128.1139178.264.20000109.9E125 H126 A143 L145E125-V155 HydrophobicContact CG-CG2 3.27Å; H126-V155 WeakPolarHBondContact O-CA 3.44Å; A143-V155 HydrophobicContact CB-CG1 3.75Å; A143-V155 PolarHBondContact O-N 3.39Å; L145-V155 HydrophobicContact CB-CB 4.07Å; L145-V155 HydrophobicContact CB-CG1 4.12Å
156I94.5Very high90.2Very high44 Ų4476.6 Ų76.623%0.22640%0.399CS..EExtended strand (participates in β ladder)trans-127.6134.3171.8-172.9160.7000109T82 F84 L121 H126 Y128T82-I156 HydrophobicContact CG2-CD1 3.49Å; T82-I156 VanDerWaalsContact CG2-CD1 3.49Å; T82-I156 HydrophobicContact CG2-CG1 4.44Å; F84-I156 HydrophobicContact CE1-CG2 4.2Å; F84-I156 HydrophobicContact CZ-CG2 4.12Å; L121-I156 HydrophobicContact CD1-CG2 4.43Å; H126-I156 HydrophobicContact CB-CG2 3.91Å; H126-I156 PolarHBondContact N-O 3.29Å; H126-I156 PolarHBondContact O-N 3.38Å; Y128-I156 HydrophobicContact CD1-CB 4.47Å; Y128-I156 HydrophobicContact CD1-CG2 4.1Å; Y128-I156 HydrophobicContact CE1-CB 4Å; Y128-I156 HydrophobicContact CE1-CG2 4.11Å
157Q93.8Very high90.1Very high95 Ų9575 Ų7544%0.44439%0.387SS..EExtended strand (participates in β ladder)trans-101.6115.5175.1-172.967.82300108.4K159Q157-K159 HydrophobicContact CG-CG 3.89Å
158V93.9Very high90.4Very high4 Ų473.9 Ų73.92%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-95.8107.9175.2-178.50000107.6T82 L121 E123 G124 F163T82-V158 HydrophobicContact CG2-CG2 4.23Å; L121-V158 HydrophobicContact CB-CG2 4.15Å; L121-V158 HydrophobicContact CD1-CG2 4.19Å; E123-V158 WeakPolarHBondContact CA-O 3.39Å; G124-V158 PolarHBondContact N-O 2.89Å; G124-V158 PolarHBondContact O-N 3.43Å; V158-F163 HydrophobicContact CG1-CE2 3.62Å; V158-F163 HydrophobicContact CG1-CZ 3.86Å
159K91.1Very high90.7Very high93 Ų9368.5 Ų68.540%0.40436%0.363SS..  trans-102.6155177.3-58.5176.6-175.2167.30109.8Q157 T161 D162 F163Q157-K159 HydrophobicContact CG-CG 3.89Å; K159-T161 WeakPolarHBondContact CB-OG1 3.19Å; K159-T161 PolarHBondContact O-N 2.9Å; K159-D162 WeakPolarHBondContact CB-OD2 3.22Å; K159-D162 PolarHBondContact N-OD2 2.95Å; K159-D162 PolarHBondContact O-N 3.18Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 WeakPolarHBondContact O-CE2 2.96Å
160R87.9Confident90.9Very high147 Ų14767.5 Ų67.556%0.55535%0.351SS*.G310 helixtrans-55.3-40.1173.1-169.9171.962.1163.62.1112.7E123 D162 F163E123-R160 VanDerWaalsContact OE1-CA 3.3Å; E123-R160 WeakPolarHBondContact OE1-CA 3.39Å; E123-R160 WeakPolarHBondContact OE1-CB 3.36Å; E123-R160 WeakPolarHBondContact OE1-CG 3.2Å; R160-D162 PolarHBondContact O-N 3.48Å; R160-F163 PolarHBondContact O-N 3.33Å
161T88.4Confident91Very high33 Ų3366.7 Ų66.720%0.20233%0.333CS..G310 helixtrans-64.4-21.2-176.650.60000113.5K159 F163 E164 D167 A168 I171K159-T161 WeakPolarHBondContact CB-OG1 3.19Å; K159-T161 PolarHBondContact O-N 2.9Å; T161-F163 PolarHBondContact O-N 3.02Å; T161-E164 PolarHBondContact O-N 2.86Å; T161-D167 HydrophobicContact CG2-CB 4.15Å; T161-A168 PolarHBondContact O-N 2.87Å; T161-I171 VanDerWaalsContact CB-CD1 3.41Å; T161-I171 HydrophobicContact CG2-CD1 3.79Å; T161-I171 WeakPolarHBondContact OG1-CD1 3.19Å
162D89.1Confident90.9Very high71 Ų7167.9 Ų67.938%0.3834%0.337SS..G310 helixtrans-72.7-9.9-177.2-53.6-23.1000112.4K159 R160K159-D162 WeakPolarHBondContact CB-OD2 3.22Å; K159-D162 PolarHBondContact N-OD2 2.95Å; K159-D162 PolarHBondContact O-N 3.18Å; R160-D162 PolarHBondContact O-N 3.48Å
163F88.8Confident90.6Very high64 Ų6467.4 Ų67.428%0.28134%0.336SS..G310 helixtrans-110.3-12.8-175.8-60.3-86.1000113.4K80 P81 V158 K159 R160 T161K80-F163 HydrophobicContact CB-CD1 3.87Å; K80-F163 HydrophobicContact CB-CD2 4.14Å; K80-F163 HydrophobicContact CB-CE1 3.34Å; K80-F163 HydrophobicContact CB-CE2 3.62Å; K80-F163 HydrophobicContact CB-CG 4.25Å; K80-F163 HydrophobicContact CB-CZ 3.18Å; K80-F163 HydrophobicContact CD-CB 4.24Å; K80-F163 HydrophobicContact CD-CD1 3.97Å; K80-F163 HydrophobicContact CD-CD2 3.15Å; K80-F163 HydrophobicContact CD-CE1 4.15Å; K80-F163 HydrophobicContact CD-CE2 3.35Å; K80-F163 HydrophobicContact CD-CG 3.49Å; K80-F163 VanDerWaalsContact CD-CG 3.49Å; K80-F163 HydrophobicContact CD-CZ 3.86Å; K80-F163 HydrophobicContact CG-CD2 4.28Å; K80-F163 HydrophobicContact CG-CE1 4.38Å; K80-F163 HydrophobicContact CG-CE2 4.1Å; K80-F163 HydrophobicContact CG-CG 4.48Å; K80-F163 HydrophobicContact CG-CZ 4.15Å; P81-F163 HydrophobicContact CG-CE1 4.27Å; P81-F163 WeakPolarHBondContact O-CE1 3.4Å; V158-F163 HydrophobicContact CG1-CE2 3.62Å; V158-F163 HydrophobicContact CG1-CZ 3.86Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 WeakPolarHBondContact O-CE2 2.96Å; R160-F163 PolarHBondContact O-N 3.33Å; T161-F163 PolarHBondContact O-N 3.02Å
164E91.6Very high90Very high105 Ų10572.5 Ų72.549%0.49136%0.359SS..SBendtrans-97.7114.5168.6-74.3-57152.600108.7T161 F166 D167 A168T161-E164 PolarHBondContact O-N 2.86Å; E164-F166 VanDerWaalsContact C-N 3.25Å; E164-F166 PolarHBondContact O-N 2.82Å; E164-D167 HydrophobicContact CB-CB 3.97Å; E164-D167 PolarHBondContact O-N 2.84Å; E164-A168 PolarHBondContact O-N 3.04Å
165V90.9Very high89.1Confident101 Ų10179.9 Ų79.961%0.61239%0.394SS*.Hα-helixtrans-57.6-39.4-168.9177.10000112L169V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.46Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.31Å
166F90.5Very high87.8Confident172 Ų17284.4 Ų84.475%0.75443%0.425SS*.Hα-helixtrans-70.3-37.6178.7-65-64.8000112.5E164 M170E164-F166 VanDerWaalsContact C-N 3.25Å; E164-F166 PolarHBondContact O-N 2.82Å; F166-M170 VanDerWaalsContact O-CB 3.23Å; F166-M170 WeakPolarHBondContact O-CB 3.18Å; F166-M170 PolarHBondContact O-N 3.16Å
167D90.4Very high85.9Confident59 Ų5983.8 Ų83.832%0.31643%0.427SS..Hα-helixtrans-69.6-43.3178.1-72.6-9.3000111.1T161 E164 M170 I171T161-D167 HydrophobicContact CG2-CB 4.15Å; E164-D167 HydrophobicContact CB-CB 3.97Å; E164-D167 PolarHBondContact O-N 2.84Å; D167-M170 PolarHBondContact O-N 3.03Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.48Å
168A91.1Very high84Confident20 Ų2085.2 Ų85.217%0.16544%0.438CS..Hα-helixtrans-59.1-50.317500000111T161 E164 M170 I171 D172T161-A168 PolarHBondContact O-N 2.87Å; E164-A168 PolarHBondContact O-N 3.04Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.74Å; A168-I171 PolarHBondContact O-N 3.25Å; A168-D172 WeakPolarHBondContact O-CB 3.45Å; A168-D172 PolarHBondContact O-N 3.08Å
169L89.8Confident82.1Confident103 Ų10388.5 Ų88.554%0.53945%0.454SS..Hα-helixtrans-62.3-38.4177.7-73.4173.5000112.2V165 S173V165-L169 HydrophobicContact CG1-CD1 3.95Å; V165-L169 HydrophobicContact CG1-CG 4.46Å; V165-L169 WeakPolarHBondContact O-CB 3.35Å; V165-L169 WeakPolarHBondContact O-CG 3.42Å; V165-L169 PolarHBondContact O-N 3.31Å; L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.27Å; L169-S173 VanDerWaalsContact O-OG 3.07Å
170M86.6Confident80.4Confident94 Ų9487.7 Ų87.746%0.46346%0.46SS..Hα-helixtrans-62.3-45.8176.8177.8177.655.800111.3F166 D167 A168 S173 Q174F166-M170 VanDerWaalsContact O-CB 3.23Å; F166-M170 WeakPolarHBondContact O-CB 3.18Å; F166-M170 PolarHBondContact O-N 3.16Å; D167-M170 PolarHBondContact O-N 3.03Å; A168-M170 VanDerWaalsContact C-N 3.31Å; A168-M170 PolarHBondContact O-N 2.74Å; M170-S173 PolarHBondContact O-N 2.9Å; M170-S173 PolarHBondContact O-OG 3.47Å; M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.2Å
171I87.4Confident78.7Confident39 Ų3984.4 Ų84.420%0.245%0.453CS..Hα-helixtrans-65.6-48.9179-67.9169.4000110.9T161 D167 A168 S173 Q174 E175T161-I171 VanDerWaalsContact CB-CD1 3.41Å; T161-I171 HydrophobicContact CG2-CD1 3.79Å; T161-I171 WeakPolarHBondContact OG1-CD1 3.19Å; D167-I171 WeakPolarHBondContact O-CG1 3.45Å; D167-I171 PolarHBondContact O-N 3.48Å; A168-I171 PolarHBondContact O-N 3.25Å; I171-S173 PolarHBondContact O-N 3.07Å; I171-Q174 WeakPolarHBondContact O-CB 3.34Å; I171-Q174 PolarHBondContact O-N 3.06Å; I171-E175 PolarHBondContact O-N 2.85Å
172D86.4Confident77Confident92 Ų9288.9 Ų88.949%0.49248%0.475SS..Hα-helixtrans-60.1-36.8-179.7-73.2-5.5000111.8A168 Q174 E175 C176A168-D172 WeakPolarHBondContact O-CB 3.45Å; A168-D172 PolarHBondContact O-N 3.08Å; D172-Q174 VanDerWaalsContact C-N 3.31Å; D172-Q174 PolarHBondContact O-N 3.45Å; D172-E175 PolarHBondContact O-N 3.28Å; D172-C176 PolarHBondContact O-N 3.19Å; D172-C176 VanDerWaalsContact O-N 3.08Å
173S85.6Confident75.3Confident42 Ų4291.2 Ų91.229%0.29450%0.497SS..Hα-helixtrans-68.5-30178.773.90000112.6L169 M170 I171 A177 M179L169-S173 WeakPolarHBondContact O-CB 3.37Å; L169-S173 PolarHBondContact O-N 3.45Å; L169-S173 PolarHBondContact O-OG 3.27Å; L169-S173 VanDerWaalsContact O-OG 3.07Å; M170-S173 PolarHBondContact O-N 2.9Å; M170-S173 PolarHBondContact O-OG 3.47Å; I171-S173 PolarHBondContact O-N 3.07Å; S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.14Å; S173-M179 WeakPolarHBondContact O-CE 3.37Å; S173-M179 WeakPolarHBondContact OG-CE 3.24Å
174Q82.3Confident73.8Confident119 Ų11990.8 Ų90.856%0.55650%0.502SS*.Hα-helixtrans-74-31.6173.5-68.3171.714.900112.5M170 I171 D172 M179M170-Q174 WeakPolarHBondContact O-CG 3.35Å; M170-Q174 PolarHBondContact O-N 3.2Å; I171-Q174 WeakPolarHBondContact O-CB 3.34Å; I171-Q174 PolarHBondContact O-N 3.06Å; D172-Q174 VanDerWaalsContact C-N 3.31Å; D172-Q174 PolarHBondContact O-N 3.45Å; Q174-M179 HydrophobicContact CG-CG 4.42Å
175E76.3Confident72.7Confident155 Ų15591.4 Ų91.472%0.72452%0.518SS*.Hα-helixtrans-74.3-32.6176.1-69.2-165.5172.700112.4I171 D172I171-E175 PolarHBondContact O-N 2.85Å; D172-E175 PolarHBondContact O-N 3.28Å
176C66.9Low71.9Confident120 Ų12089.6 Ų89.681%0.81151%0.508SS*.Hα-helixtrans-87.6-20.1-178.9-70.80000114.4D172D172-C176 PolarHBondContact O-N 3.19Å; D172-C176 VanDerWaalsContact O-N 3.08Å
177A54.7Low71Confident31 Ų3185.2 Ų85.226%0.25650%0.497SS..  trans-126.5132.6-173.700000112.2S173 M179 L182S173-A177 WeakPolarHBondContact O-CB 3.37Å; S173-A177 PolarHBondContact O-N 2.74Å; S173-A177 VanDerWaalsContact O-N 3.14Å; A177-M179 HydrophobicContact CB-CE 4.37Å; A177-M179 HydrophobicContact CB-CG 4.08Å; A177-M179 PolarHBondContact O-N 3.24Å; A177-L182 HydrophobicContact CB-CD1 4.35Å
178D55Low70.3Confident126 Ų12684.1 Ų84.167%0.67450%0.5SS*.  trans-56.681.8141.1-168-7.6000107.1S180 D181D178-S180 PolarHBondContact O-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.06Å; D178-D181 PolarHBondContact O-N 3.3Å
179M53.7Low70Confident72 Ų7288.2 Ų88.236%0.35553%0.525SS..G310 helixtrans-60.3-7-173.9-93.2-77.8173.900113.6S173 Q174 A177 D181 L182S173-M179 WeakPolarHBondContact O-CE 3.37Å; S173-M179 WeakPolarHBondContact OG-CE 3.24Å; Q174-M179 HydrophobicContact CG-CG 4.42Å; A177-M179 HydrophobicContact CB-CE 4.37Å; A177-M179 HydrophobicContact CB-CG 4.08Å; A177-M179 PolarHBondContact O-N 3.24Å; M179-D181 PolarHBondContact O-N 3.08Å; M179-L182 HydrophobicContact CE-CD1 4.32Å; M179-L182 HydrophobicContact SD-CD1 4.14Å
180S54.1Low69.9Low76 Ų7692.8 Ų92.853%0.53154%0.536SS..G310 helixtrans-61.2-25.8175.963.30000112.7D178D178-S180 PolarHBondContact O-N 3.33Å; D178-S180 WeakPolarHBondContact OD1-CB 3.36Å; D178-S180 PolarHBondContact OD1-OG 3.06Å
181D52.2Low69.9Low78 Ų7895.2 Ų95.242%0.41755%0.547SS..G310 helixtrans-94.3-7.7-172.9-78.5-14.6000115.6D178 M179 P187D178-D181 PolarHBondContact O-N 3.3Å; M179-D181 PolarHBondContact O-N 3.08Å; D181-P187 HydrophobicContact CB-CB 4.16Å; D181-P187 HydrophobicContact CB-CG 4.48Å; D181-P187 WeakPolarHBondContact OD1-CB 3.49Å
182L54.1Low70.1Confident127 Ų127102.7 Ų102.767%0.66558%0.581SS**SBendtrans-96-14.8-174.7-63.3-178.4000114.4A177 M179A177-L182 HydrophobicContact CB-CD1 4.35Å; M179-L182 HydrophobicContact CE-CD1 4.32Å; M179-L182 HydrophobicContact SD-CD1 4.14Å
183S53.3Low70.3Confident120 Ų120104.5 Ų104.584%0.83959%0.59SS**SBendtrans-85-19.9-176.9-165.30000113.3
184S56.4Low70.5Confident55 Ų55107.7 Ų107.739%0.38561%0.61SS.*SBendtrans-137.8117.9175.1580000110.3P186S184-P186 CarbonylContact C-O 3.48Å; S184-P186 CarbonylContact O-C 3.53Å; S184-P186 PolarHBondContact OG-O 3.44Å
185S68.4Low70.6Confident118 Ų118109.6 Ų109.683%0.82561%0.613SS**SBendtrans-87.6121.9153.8-76.50000107.6
186P74.3Confident71Confident64 Ų64108.7 Ų108.742%0.41661%0.612SS.*SBendcis-79.3152.63.531.9-33.5000113.8S184 Y190S184-P186 CarbonylContact C-O 3.48Å; S184-P186 CarbonylContact O-C 3.53Å; S184-P186 PolarHBondContact OG-O 3.44Å; P186-Y190 HydrophobicContact CG-CE1 4.26Å
187P71.1Confident71.6Confident79 Ų79107.4 Ų107.451%0.51360%0.601SS.*SBendtrans-54.9135.8171.1-26.135.1000111.7D181D181-P187 HydrophobicContact CB-CB 4.16Å; D181-P187 HydrophobicContact CB-CG 4.48Å; D181-P187 WeakPolarHBondContact OD1-CB 3.49Å
188G77.3Confident72.9Confident37 Ų37112.3 Ų112.338%0.38162%0.616SS.*SBendtrans81173.9-179.100000115.5
189P84.3Confident73.7Confident106 Ų106113.4 Ų113.469%0.68863%0.628SS**  trans-70.2151.1179.529.7-34.6000111.7Q191P189-Q191 PolarHBondContact O-N 3.22Å
190Y86.7Confident74.5Confident198 Ų198114 Ų11478%0.77664%0.639SS**  trans-61.5130.8169.4-72.7-87.8000110.5P186P186-Y190 HydrophobicContact CG-CE1 4.26Å
191Q87.7Confident75.2Confident146 Ų146112.3 Ų112.368%0.68262%0.624SS**  trans-126.3156.1179.1-67.5177-8.900110.2P189P189-Q191 PolarHBondContact O-N 3.22Å
192Q92.3Very high75.8Confident195 Ų195117.8 Ų117.891%0.91164%0.644SS**  trans-98-13175.8-66.8-175.3-14.400112.6
193D90.8Very high76.3Confident130 Ų130117.9 Ų117.970%0.69565%0.645SS**SBendtrans-68.3130.5179.5-64.7-55000110.2
194P87.8Confident77.1Confident110 Ų110121.4 Ų121.471%0.71465%0.645SS**PPolyproline II helixtrans-65.4142.2177.927.7-34000110.3I196P194-I196 PolarHBondContact O-N 3.13Å
195Y84.9Confident78.4Confident158 Ų158126 Ų12662%0.6267%0.665SS**PPolyproline II helixtrans-66.1125.6176-178.2-101.5000111.4D201Y195-D201 PolarHBondContact OH-OD1 3.07Å; Y195-D201 PolarHBondContact OH-OD2 3.06Å
196I85.1Confident79.3Confident136 Ų136125.7 Ų125.770%0.69766%0.66SS**PPolyproline II helixtrans-94.6116.7175.6-57.2174.6000108.5P194 K198P194-I196 PolarHBondContact O-N 3.13Å; I196-K198 PolarHBondContact O-N 3.17Å
197T79.8Confident80.2Confident93 Ų93128.5 Ų128.557%0.57168%0.679SS**PPolyproline II helixtrans-66121.5178.2-45.30000110.5D201 L203T197-D201 HydrophobicContact CG2-CB 4.27Å; T197-L203 HydrophobicContact CG2-CD1 4.29Å
198K81.1Confident81.3Confident135 Ų135132.4 Ų132.459%0.58769%0.693SS**PPolyproline II helixtrans-93.8157.5176.2-56.5176.3-176.1174.10109.7I196 S200 D201I196-K198 PolarHBondContact O-N 3.17Å; K198-S200 WeakPolarHBondContact CB-OG 3.47Å; K198-S200 PolarHBondContact O-N 3.45Å; K198-D201 WeakPolarHBondContact CA-OD2 2.97Å; K198-D201 VanDerWaalsContact CB-OD2 3.3Å; K198-D201 WeakPolarHBondContact CB-OD2 2.97Å; K198-D201 PolarHBondContact N-OD2 3.02Å; K198-D201 WeakPolarHBondContact O-CB 3.47Å; K198-D201 PolarHBondContact O-N 3.48Å
199T72.6Confident82.2Confident149 Ų149135.5 Ų135.591%0.91470%0.701SS**THydrogen-bonded Turntrans-64.7-19.9175.751.90000113.5D201T199-D201 VanDerWaalsContact C-N 3.31Å
200S70.1Confident82.8Confident84 Ų84133.4 Ų133.459%0.58769%0.687SS**THydrogen-bonded Turntrans-72.5-24170.9540000113.2K198 K202K198-S200 WeakPolarHBondContact CB-OG 3.47Å; K198-S200 PolarHBondContact O-N 3.45Å; S200-K202 PolarHBondContact O-N 3.14Å
201D69.6Low83.3Confident41 Ų41128.1 Ų128.122%0.21968%0.677CS.*  trans-80.375.8-179.8-49-31.6000106.9Y195 T197 K198 T199 L203Y195-D201 PolarHBondContact OH-OD1 3.07Å; Y195-D201 PolarHBondContact OH-OD2 3.06Å; T197-D201 HydrophobicContact CG2-CB 4.27Å; K198-D201 WeakPolarHBondContact CA-OD2 2.97Å; K198-D201 VanDerWaalsContact CB-OD2 3.3Å; K198-D201 WeakPolarHBondContact CB-OD2 2.97Å; K198-D201 PolarHBondContact N-OD2 3.02Å; K198-D201 WeakPolarHBondContact O-CB 3.47Å; K198-D201 PolarHBondContact O-N 3.48Å; T199-D201 VanDerWaalsContact C-N 3.31Å; D201-L203 HydrophobicContact CB-CG 4.21Å; D201-L203 PolarHBondContact O-N 3.14Å
202K64.8Low83.8Confident192 Ų192125 Ų12584%0.83566%0.662SS**  trans-67.668.2168-68.1-177.2-178.5179.70108.2S200 K204S200-K202 PolarHBondContact O-N 3.14Å; K202-K204 PolarHBondContact O-N 3Å
203L64Low84Confident130 Ų130117.2 Ų117.268%0.68163%0.626SS**  trans-64.7104.8172.3-63.9176.9000106.1T197 D201T197-L203 HydrophobicContact CG2-CD1 4.29Å; D201-L203 HydrophobicContact CB-CG 4.21Å; D201-L203 PolarHBondContact O-N 3.14Å
204K70.9Confident84.3Confident193 Ų193116.7 Ų116.784%0.83962%0.623SS**  trans-55.2152.7157.5-64.1178.2-179177.60106.8K202K202-K204 PolarHBondContact O-N 3Å
205N82.3Confident84.5Confident152 Ų152116.2 Ų116.281%0.81361%0.611SS**SBendtrans-39.6146.1174.8-65.6-32000111.4
206P88.4Confident84.9Confident112 Ų112110.2 Ų110.273%0.72759%0.591SS**PPolyproline II helixtrans-51147179.123.5-34.7000110.4I208P206-I208 PolarHBondContact O-N 2.92Å
207P92.3Very high85.4Confident123 Ų123104 Ų10480%0.79956%0.559SS**PPolyproline II helixtrans-57.7142-177.625.2-34.1000110.3L209P207-L209 PolarHBondContact O-N 2.77Å
208I95.7Very high86.1Confident160 Ų160102.7 Ų102.782%0.82155%0.549SS*.PPolyproline II helixtrans-64.1135.2176.8-59.5169.9000108.4P206 P210P206-I208 PolarHBondContact O-N 2.92Å; I208-P210 WeakPolarHBondContact O-CD 3.45Å
209L96Very high86.7Confident103 Ų103102 Ų10254%0.53955%0.551SS.*PPolyproline II helixtrans-56.7121.9177.3179.166.8000110.5P207 L213 L214P207-L209 PolarHBondContact O-N 2.77Å; L209-L213 HydrophobicContact CD1-CB 4.39Å; L209-L213 HydrophobicContact CD1-CD1 3.94Å; L209-L214 HydrophobicContact CD2-CD2 3.75Å; L209-L214 HydrophobicContact CD2-CG 4.29Å
210P97.1Very high87.6Confident62 Ų6299.4 Ų99.440%0.40353%0.527SS..PPolyproline II helixtrans-61.4127.8175.6-24.535000110.9I208 H212 L213I208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-H212 PolarHBondContact O-N 2.89Å; P210-L213 PolarHBondContact O-N 3.03Å; P210-L213 VanDerWaalsContact O-N 3.09Å
211P97.3Very high88.5Confident86 Ų86103.2 Ų103.256%0.55854%0.541SS*.G310 helixtrans-64-19.6-174.724.9-35000113.4L213 L214P211-L213 PolarHBondContact O-N 2.84Å; P211-L214 WeakPolarHBondContact O-CB 3.41Å; P211-L214 PolarHBondContact O-N 3.19Å; P211-L214 VanDerWaalsContact O-N 3.08Å
212H96.9Very high89.3Confident82 Ų82104 Ų10438%0.3855%0.547SS..G310 helixtrans-58.7-32.5174.7-60.994.1000113P210 L214 Q215P210-H212 PolarHBondContact O-N 2.89Å; H212-L214 PolarHBondContact O-N 3.46Å; H212-Q215 PolarHBondContact O-N 3.45Å
213L96.7Very high90.4Very high30 Ų3097 Ų9716%0.15753%0.53CS..G310 helixtrans-73.8-12.1178.9-60.4-176.6000112.9L209 P210 P211 Q215 M238 H241 Y243L209-L213 HydrophobicContact CD1-CB 4.39Å; L209-L213 HydrophobicContact CD1-CD1 3.94Å; P210-L213 PolarHBondContact O-N 3.03Å; P210-L213 VanDerWaalsContact O-N 3.09Å; P211-L213 PolarHBondContact O-N 2.84Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-M238 HydrophobicContact CD2-CB 4.44Å; L213-H241 HydrophobicContact CD2-CB 4.42Å; L213-Y243 WeakPolarHBondContact O-CE1 3.44Å; L213-Y243 PolarHBondContact O-OH 3.44Å
214L96.3Very high91.4Very high119 Ų11998.4 Ų98.462%0.62354%0.544SS*.G310 helixtrans-83.6-13174.9-58.4174.7000112.2L209 P211 H212 V216L209-L214 HydrophobicContact CD2-CD2 3.75Å; L209-L214 HydrophobicContact CD2-CG 4.29Å; P211-L214 WeakPolarHBondContact O-CB 3.41Å; P211-L214 PolarHBondContact O-N 3.19Å; P211-L214 VanDerWaalsContact O-N 3.08Å; H212-L214 PolarHBondContact O-N 3.46Å; L214-V216 VanDerWaalsContact C-N 3.28Å; L214-V216 PolarHBondContact O-N 3.09Å
215Q93.3Very high92.4Very high101 Ų10195 Ų9547%0.47254%0.544SS..SBendtrans-85.464.6-178.2-60.8-176.55.200111.4H212 L213 L217 M238H212-Q215 PolarHBondContact O-N 3.45Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-L217 PolarHBondContact O-N 3.27Å; Q215-M238 WeakPolarHBondContact O-CE 3.41Å
216V93.6Very high92.7Very high32 Ų3290.4 Ų90.419%0.19452%0.523CS..  trans-56.5121.2-175.5-173.90000111.3L214 L218 N219 Y243L214-V216 VanDerWaalsContact C-N 3.28Å; L214-V216 PolarHBondContact O-N 3.09Å; V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.35Å; V216-N219 HydrophobicContact CB-CB 4.08Å; V216-N219 HydrophobicContact CG1-CB 4.36Å; V216-N219 PolarHBondContact O-N 3.21Å; V216-Y243 HydrophobicContact CB-CD1 4.41Å; V216-Y243 HydrophobicContact CB-CE1 4.38Å; V216-Y243 HydrophobicContact CG1-CD1 4.01Å; V216-Y243 HydrophobicContact CG1-CE1 4.39Å; V216-Y243 HydrophobicContact CG1-CG 4.45Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.81Å
217L94Very high93Very high5 Ų589.5 Ų89.53%0.02651%0.512CS..G310 helixtrans-60.7-42.3-175.8-173.968.4000112.5Q215 N219 K220 L231 P232 P234 M238 T266Q215-L217 PolarHBondContact O-N 3.27Å; L217-N219 PolarHBondContact O-N 3.39Å; L217-K220 WeakPolarHBondContact O-CB 3.41Å; L217-K220 PolarHBondContact O-N 2.85Å; L217-L231 HydrophobicContact CD2-CB 4.19Å; L217-L231 HydrophobicContact CD2-CD1 3.87Å; L217-L231 HydrophobicContact CG-CB 4.45Å; L217-L231 HydrophobicContact CG-CD1 4.39Å; L217-P232 HydrophobicContact CD1-CG 3.78Å; L217-P234 HydrophobicContact CD2-CB 4.3Å; L217-M238 HydrophobicContact CB-CE 4.24Å; L217-M238 HydrophobicContact CB-SD 4.17Å; L217-T266 WeakPolarHBondContact CD2-OG1 3.49Å
218L94.7Very high93Very high66 Ų6689.2 Ų89.235%0.34651%0.51SS..G310 helixtrans-74.4-10.9-177.8-63.5176.7000113.8V216 K220 L231 T266 L268V216-L218 VanDerWaalsContact C-N 3.34Å; V216-L218 PolarHBondContact O-N 3.35Å; L218-K220 VanDerWaalsContact C-N 3.34Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CD2 4.15Å; L218-T266 HydrophobicContact CD1-CG2 4Å; L218-T266 HydrophobicContact CD2-CG2 3.9Å; L218-T266 HydrophobicContact CG-CG2 4.05Å; L218-L268 HydrophobicContact CD1-CD1 3.95Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.21Å; L218-L268 HydrophobicContact CD2-CD1 4.47Å
219N94.3Very high92.9Very high119 Ų11985.6 Ų85.664%0.63650%0.504SS*.G310 helixtrans-920.1175.2-66.3-1.7000112.2V216 L217V216-N219 HydrophobicContact CB-CB 4.08Å; V216-N219 HydrophobicContact CG1-CB 4.36Å; V216-N219 PolarHBondContact O-N 3.21Å; L217-N219 PolarHBondContact O-N 3.39Å
220K90.8Very high92.9Very high96 Ų9685.6 Ų85.642%0.41750%0.504SS..SBendtrans-88.8129.1177.2-63.8-175179.1-177.60109.4L217 L218 P232L217-K220 WeakPolarHBondContact O-CB 3.41Å; L217-K220 PolarHBondContact O-N 2.85Å; L218-K220 VanDerWaalsContact C-N 3.34Å; K220-P232 HydrophobicContact CD-CG 4.3Å
221D89.3Confident92.8Very high164 Ų16486.1 Ų86.188%0.87750%0.503SS*.PPolyproline II helixtrans-67.2135.2172-62.6-49.4000110.4
222T87.5Confident92.6Very high57 Ų5784.6 Ų84.635%0.3549%0.493SS..PPolyproline II helixtrans-97.2149.717054.60000109.4V224T222-V224 PolarHBondContact O-N 3.32Å
223G86.4Confident92.6Very high46 Ų4688.3 Ų88.347%0.47451%0.511SS..PPolyproline II helixtrans-63135.3-179.400000110.9S225 C226G223-S225 PolarHBondContact O-N 3.46Å; G223-C226 PolarHBondContact O-N 3.13Å; G223-C226 PolarHBondContact O-SG 2.97Å
224V86.8Confident92.6Very high159 Ų15987.5 Ų87.596%0.96451%0.507SS*.THydrogen-bonded Turntrans-57.5-13.5-177.6-640000114.9T222T222-V224 PolarHBondContact O-N 3.32Å
225S90.4Very high92.6Very high122 Ų12284.9 Ų84.985%0.85349%0.494SS*.THydrogen-bonded Turntrans-89.4-10.1179.361.30000114.7G223G223-S225 PolarHBondContact O-N 3.46Å
226C89.9Confident92.8Very high55 Ų5586.5 Ų86.537%0.37250%0.501SS..SBendtrans-98.8163.1179.766.70000112.5G223G223-C226 PolarHBondContact O-N 3.13Å; G223-C226 PolarHBondContact O-SG 2.97Å
227D93.7Very high93Very high92 Ų9287.7 Ų87.749%0.49251%0.509SS..  trans-58.2128.5173.9176.8-13.8000110.4A229 L230D227-A229 PolarHBondContact O-N 2.9Å; D227-A229 VanDerWaalsContact O-N 3.14Å; D227-A229 WeakPolarHBondContact OD1-CB 3.43Å; D227-A229 PolarHBondContact OD1-N 3.34Å; D227-L230 HydrophobicContact CB-CD1 3.82Å; D227-L230 HydrophobicContact CB-CG 3.89Å; D227-L230 WeakPolarHBondContact O-CB 3.46Å; D227-L230 PolarHBondContact O-N 2.87Å
228P92.6Very high93.1Very high118 Ų11887.7 Ų87.777%0.76651%0.509SS*.THydrogen-bonded Turntrans-58.1-22.4179.7-25.334.4000115.4L230P228-L230 VanDerWaalsContact C-N 3.31Å
229A93.8Very high93.2Very high83 Ų8385.2 Ų85.269%0.68650%0.495SS*.THydrogen-bonded Turntrans-81.3-10.8177.300000113.1D227D227-A229 PolarHBondContact O-N 2.9Å; D227-A229 VanDerWaalsContact O-N 3.14Å; D227-A229 WeakPolarHBondContact OD1-CB 3.43Å; D227-A229 PolarHBondContact OD1-N 3.34Å
230L94.8Very high93.4Very high103 Ų10385.2 Ų85.254%0.53950%0.495SS..  trans-84.4132.6179-64.7177.2000110.9D227 P228D227-L230 HydrophobicContact CB-CD1 3.82Å; D227-L230 HydrophobicContact CB-CG 3.89Å; D227-L230 WeakPolarHBondContact O-CB 3.46Å; D227-L230 PolarHBondContact O-N 2.87Å; P228-L230 VanDerWaalsContact C-N 3.31Å
231L95.2Very high93.7Very high73 Ų7384.3 Ų84.338%0.38249%0.493SS..  trans-114.6153.6174.2-65.4173.9000109.6L217 L218 T266L217-L231 HydrophobicContact CD2-CB 4.19Å; L217-L231 HydrophobicContact CD2-CD1 3.87Å; L217-L231 HydrophobicContact CG-CB 4.45Å; L217-L231 HydrophobicContact CG-CD1 4.39Å; L218-L231 HydrophobicContact CD2-CD1 3.82Å; L218-L231 HydrophobicContact CD2-CD2 4.15Å; L231-T266 HydrophobicContact CD1-CG2 4.33Å
232P94.4Very high94.2Very high55 Ų5582.2 Ų82.236%0.35748%0.481SS..PPolyproline II helixtrans-64.6162.2172.726.9-32.1000111.2L217 K220 P234L217-P232 HydrophobicContact CD1-CG 3.78Å; K220-P232 HydrophobicContact CD-CG 4.3Å; P232-P234 WeakPolarHBondContact O-CD 3.34Å
233E95.7Very high94.6Very high160 Ų16081.1 Ų81.175%0.74847%0.47SS*.PPolyproline II helixtrans-62.4124.4178.6-171.3175.9174.500110.9Y264E233-Y264 HydrophobicContact CG-CE2 4.24Å
234P96.9Very high95.2Very high12 Ų1282.1 Ų82.18%0.07847%0.474CS..PPolyproline II helixtrans-77.8152.8179.231.8-35000111.7L217 P232 M238 L239 T257 Y264L217-P234 HydrophobicContact CD2-CB 4.3Å; P232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-M238 HydrophobicContact CB-CG 4.19Å; P234-M238 HydrophobicContact CB-SD 3.71Å; P234-L239 HydrophobicContact CB-CD2 4.17Å; P234-L239 HydrophobicContact CG-CD2 3.93Å; P234-T257 HydrophobicContact CB-CG2 4.38Å; P234-T257 HydrophobicContact CG-CG2 4.12Å; P234-Y264 HydrophobicContact CG-CD1 3.7Å; P234-Y264 HydrophobicContact CG-CD2 4.01Å; P234-Y264 HydrophobicContact CG-CE1 4.24Å; P234-Y264 HydrophobicContact CG-CG 3.55Å
235N96.8Very high95.6Very high64 Ų6479.8 Ų79.834%0.34246%0.456SS..PPolyproline II helixtrans-70.6136.2167.5-171.5-33.4000109.8V237 M238N235-V237 PolarHBondContact O-N 3.35Å; N235-V237 PolarHBondContact OD1-N 3.28Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; N235-M238 HydrophobicContact CB-CG 4.45Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 3.35Å
236H97.3Very high95.9Very high136 Ų13678.8 Ų78.863%0.6345%0.449SS*.G310 helixtrans-55.6-28.6-179.271.3-84.9000113.9M238 L239H236-M238 VanDerWaalsContact C-N 3.34Å; H236-M238 PolarHBondContact O-N 3.48Å; H236-L239 HydrophobicContact CB-CD1 4.49Å; H236-L239 WeakPolarHBondContact O-CG 3.39Å; H236-L239 PolarHBondContact O-N 2.96Å
237V97.8Very high96.2Very high57 Ų5780.7 Ų80.735%0.34545%0.454SS..G310 helixtrans-70.6-26-179.5-177.60000112.9N235 L239 H241N235-V237 PolarHBondContact O-N 3.35Å; N235-V237 PolarHBondContact OD1-N 3.28Å; N235-V237 VanDerWaalsContact OD1-N 3.16Å; V237-L239 VanDerWaalsContact C-N 3.34Å; V237-H241 PolarHBondContact O-CD2 2.62Å; V237-H241 PolarHBondContact O-NE2 2.95Å
238M96.6Very high96.2Very high5 Ų583.7 Ų83.73%0.02546%0.463CS..G310 helixtrans-85.8-7.2-18063.8144.253.800113.8L213 Q215 L217 P234 N235 H236 H241L213-M238 HydrophobicContact CD2-CB 4.44Å; Q215-M238 WeakPolarHBondContact O-CE 3.41Å; L217-M238 HydrophobicContact CB-CE 4.24Å; L217-M238 HydrophobicContact CB-SD 4.17Å; P234-M238 HydrophobicContact CB-CG 4.19Å; P234-M238 HydrophobicContact CB-SD 3.71Å; N235-M238 HydrophobicContact CB-CG 4.45Å; N235-M238 WeakPolarHBondContact O-CG 3.42Å; N235-M238 PolarHBondContact O-N 3.35Å; H236-M238 VanDerWaalsContact C-N 3.34Å; H236-M238 PolarHBondContact O-N 3.48Å; M238-H241 PolarHBondContact O-N 2.86Å
239L97.3Very high96.3Very high13 Ų1385.9 Ų85.97%0.06847%0.468CS..THydrogen-bonded Turntrans-67.7147.8-179.9-57.3177000110.2P234 H236 V237 H241 T257 R259 Y264P234-L239 HydrophobicContact CB-CD2 4.17Å; P234-L239 HydrophobicContact CG-CD2 3.93Å; H236-L239 HydrophobicContact CB-CD1 4.49Å; H236-L239 WeakPolarHBondContact O-CG 3.39Å; H236-L239 PolarHBondContact O-N 2.96Å; V237-L239 VanDerWaalsContact C-N 3.34Å; L239-H241 PolarHBondContact O-CD2 2.84Å; L239-H241 PolarHBondContact O-N 3.2Å; L239-H241 VanDerWaalsContact O-N 3.13Å; L239-T257 WeakPolarHBondContact CA-O 3.45Å; L239-T257 HydrophobicContact CD2-CG2 3.54Å; L239-R259 HydrophobicContact CD1-CB 4.22Å; L239-Y264 HydrophobicContact CD1-CD1 4.03Å; L239-Y264 HydrophobicContact CD1-CE1 3.71Å; L239-Y264 HydrophobicContact CD2-CD1 3.91Å; L239-Y264 HydrophobicContact CD2-CE1 4.36Å
240N97.6Very high96.4Very high119 Ų11983.9 Ų83.964%0.63646%0.456SS*.THydrogen-bonded Turntrans646-177.4-44.1-39.8000115T257 H258N240-T257 PolarHBondContact N-O 2.71Å; N240-H258 PolarHBondContact OD1-CD2 3.36Å
241H98Very high96.5Very high78 Ų7881.4 Ų81.436%0.36145%0.445SS..  trans-86.4137.6169.7-70.6-88.9000110.9L213 V237 M238 L239 Y243L213-H241 HydrophobicContact CD2-CB 4.42Å; V237-H241 PolarHBondContact O-CD2 2.62Å; V237-H241 PolarHBondContact O-NE2 2.95Å; M238-H241 PolarHBondContact O-N 2.86Å; L239-H241 PolarHBondContact O-CD2 2.84Å; L239-H241 PolarHBondContact O-N 3.2Å; L239-H241 VanDerWaalsContact O-N 3.13Å; H241-Y243 HydrophobicContact CB-CE2 4.24Å
242L98.1Very high96.6Very high120 Ų12081 Ų8163%0.62844%0.442SS*.EExtended strand (participates in β ladder)trans-82.3126.2177.4-173.272.1000110.4L254L242-L254 HydrophobicContact CD1-CB 4.14Å; L242-L254 HydrophobicContact CD1-CD2 4.36Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å
243Y97.8Very high96.7Very high33 Ų3379.3 Ų79.313%0.12943%0.43CS..EExtended strand (participates in β ladder)trans-112.1135.8167.8-62.8-88.9000108.9L213 V216 H241 S255L213-Y243 WeakPolarHBondContact O-CE1 3.44Å; L213-Y243 PolarHBondContact O-OH 3.44Å; V216-Y243 HydrophobicContact CB-CD1 4.41Å; V216-Y243 HydrophobicContact CB-CE1 4.38Å; V216-Y243 HydrophobicContact CG1-CD1 4.01Å; V216-Y243 HydrophobicContact CG1-CE1 4.39Å; V216-Y243 HydrophobicContact CG1-CG 4.45Å; V216-Y243 HydrophobicContact CG2-CD1 3.84Å; V216-Y243 HydrophobicContact CG2-CE1 3.81Å; H241-Y243 HydrophobicContact CB-CE2 4.24Å; Y243-S255 WeakPolarHBondContact CB-OG 3.48Å; Y243-S255 PolarHBondContact N-O 2.76Å; Y243-S255 PolarHBondContact O-N 2.94Å; Y243-S255 VanDerWaalsContact O-O 3.14Å; Y243-S255 PolarHBondContact O-OG 2.8Å
244A97.2Very high96.9Very high67 Ų6773.8 Ų73.855%0.55441%0.406SS*.EExtended strand (participates in β ladder)trans-130144.5-179.300000110.3V253 L254A244-V253 WeakPolarHBondContact CA-O 3.48Å; A244-L254 HydrophobicContact CB-CD2 3.66Å
245L96.3Very high96.9Very high111 Ų11173.9 Ų73.958%0.58141%0.407SS*.PPolyproline II helixtrans-86.3155.4164.6-68.2175.1000109.8I247 V253L245-I247 PolarHBondContact O-N 3.42Å; L245-V253 HydrophobicContact CB-CB 4.29Å; L245-V253 HydrophobicContact CD1-CB 4.33Å; L245-V253 HydrophobicContact CD1-CG1 4.32Å; L245-V253 PolarHBondContact N-O 3.23Å; L245-V253 VanDerWaalsContact N-O 3.12Å
246S96.4Very high97Very high101 Ų10171.4 Ų71.471%0.70640%0.395SS*.PPolyproline II helixtrans-58.2132168.1-54.20000109.8K248S246-K248 PolarHBondContact O-N 3.06Å
247I95.9Very high97Very high94 Ų9465.1 Ų65.148%0.48237%0.366SS..PPolyproline II helixtrans-58.9131179.1-63.4158.5000109.3L245 M252 I273L245-I247 PolarHBondContact O-N 3.42Å; I247-M252 HydrophobicContact CD1-CE 4.22Å; I247-M252 HydrophobicContact CG1-CB 4.36Å; I247-M252 HydrophobicContact CG1-CG 4.41Å; I247-I273 HydrophobicContact CB-CD1 4.28Å; I247-I273 HydrophobicContact CD1-CD1 3.48Å; I247-I273 VanDerWaalsContact CD1-CD1 3.48Å; I247-I273 HydrophobicContact CG1-CD1 3.81Å; I247-I273 HydrophobicContact CG2-CD1 3.47Å; I247-I273 VanDerWaalsContact CG2-CD1 3.47Å
248K94.6Very high97Very high155 Ų15566.7 Ų66.767%0.67437%0.37SS*.BIsolated β-bridgetrans-138143.6175.8-68.2-176.8-178.8-178.50109.1S246 G250 V251S246-K248 PolarHBondContact O-N 3.06Å; K248-G250 PolarHBondContact O-N 2.71Å; K248-G250 VanDerWaalsContact O-N 3.13Å; K248-V251 PolarHBondContact N-O 2.96Å; K248-V251 PolarHBondContact O-N 3.21Å
249D94.6Very high97.1Very high164 Ų16474.1 Ų74.188%0.87740%0.398SS*.THydrogen-bonded Turntrans52.935.6175.7-52.4-42.4000114.6V251D249-V251 PolarHBondContact O-N 3.32Å
250G94.9Very high97.1Very high42 Ų4280.8 Ų80.843%0.43342%0.423SS..THydrogen-bonded Turntrans72.410.9-179.800000114.8K248 P272 I273K248-G250 PolarHBondContact O-N 2.71Å; K248-G250 VanDerWaalsContact O-N 3.13Å; G250-P272 WeakPolarHBondContact O-CA 3.47Å; G250-I273 PolarHBondContact O-N 2.93Å
251V97.1Very high97.1Very high50 Ų5082.7 Ų82.730%0.30343%0.426SS..EExtended strand (participates in β ladder)trans-114.7128.4179.9-176.70000110.8K248 D249 V253 Y270K248-V251 PolarHBondContact N-O 2.96Å; K248-V251 PolarHBondContact O-N 3.21Å; D249-V251 PolarHBondContact O-N 3.32Å; V251-V253 HydrophobicContact CG1-CG2 4.46Å; V251-Y270 HydrophobicContact CG1-CD1 4.12Å
252M97.1Very high97.1Very high64 Ų6488.5 Ų88.532%0.31545%0.45SS..EExtended strand (participates in β ladder)trans-90.4134.6168.6-173.9-175.8-67.500109.9I247 L254 Y270 K271 I273I247-M252 HydrophobicContact CD1-CE 4.22Å; I247-M252 HydrophobicContact CG1-CB 4.36Å; I247-M252 HydrophobicContact CG1-CG 4.41Å; M252-L254 HydrophobicContact CG-CD2 4.04Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.9Å; M252-L254 HydrophobicContact SD-CD2 3.92Å; M252-L254 HydrophobicContact SD-CG 3.91Å; M252-Y270 WeakPolarHBondContact O-CA 3.19Å; M252-K271 PolarHBondContact N-O 2.78Å; M252-K271 PolarHBondContact O-N 3.34Å; M252-I273 HydrophobicContact CB-CD1 4.09Å; M252-I273 HydrophobicContact CB-CG1 4.09Å; M252-I273 HydrophobicContact CE-CD1 4.13Å; M252-I273 HydrophobicContact CE-CG1 4.5Å
253V97.9Very high97.1Very high20 Ų2090.2 Ų90.212%0.12145%0.452CS..EExtended strand (participates in β ladder)trans-119.1117174.8-169.50000109.5A244 L245 V251 L269 Y270A244-V253 WeakPolarHBondContact CA-O 3.48Å; L245-V253 HydrophobicContact CB-CB 4.29Å; L245-V253 HydrophobicContact CD1-CB 4.33Å; L245-V253 HydrophobicContact CD1-CG1 4.32Å; L245-V253 PolarHBondContact N-O 3.23Å; L245-V253 VanDerWaalsContact N-O 3.12Å; V251-V253 HydrophobicContact CG1-CG2 4.46Å; V253-L269 WeakPolarHBondContact CA-O 3.49Å; V253-Y270 HydrophobicContact CB-CD1 4.39Å; V253-Y270 HydrophobicContact CB-CE1 4.25Å; V253-Y270 HydrophobicContact CG1-CD1 4.19Å; V253-Y270 HydrophobicContact CG1-CD2 4.43Å; V253-Y270 HydrophobicContact CG1-CE1 3.8Å; V253-Y270 HydrophobicContact CG1-CE2 4.06Å; V253-Y270 HydrophobicContact CG1-CG 4.48Å; V253-Y270 HydrophobicContact CG2-CD1 3.47Å; V253-Y270 VanDerWaalsContact CG2-CD1 3.47Å; V253-Y270 HydrophobicContact CG2-CE1 3.39Å; V253-Y270 HydrophobicContact CG2-CG 4.33Å
254L97.8Very high97.1Very high44 Ų4492.7 Ų92.723%0.2346%0.462CS..EExtended strand (participates in β ladder)trans-115.3148.1178.8-61.9-178.6000110L242 A244 M252 L268 L269L242-L254 HydrophobicContact CD1-CB 4.14Å; L242-L254 HydrophobicContact CD1-CD2 4.36Å; L242-L254 HydrophobicContact CD2-CD2 4.3Å; A244-L254 HydrophobicContact CB-CD2 3.66Å; M252-L254 HydrophobicContact CG-CD2 4.04Å; M252-L254 HydrophobicContact CG-CG 4.03Å; M252-L254 HydrophobicContact SD-CD1 3.9Å; M252-L254 HydrophobicContact SD-CD2 3.92Å; M252-L254 HydrophobicContact SD-CG 3.91Å; L254-L268 CarbonylContact O-C 3.54Å; L254-L268 WeakPolarHBondContact O-CA 3.45Å; L254-L269 PolarHBondContact N-O 3.12Å; L254-L269 PolarHBondContact O-N 2.97Å
255S98Very high97.1Very high14 Ų1493.3 Ų93.310%0.09846%0.458CS..EExtended strand (participates in β ladder)trans-146.3150.2174.567.60000112.1Y243 T267Y243-S255 WeakPolarHBondContact CB-OG 3.48Å; Y243-S255 PolarHBondContact N-O 2.76Å; Y243-S255 PolarHBondContact O-N 2.94Å; Y243-S255 VanDerWaalsContact O-O 3.14Å; Y243-S255 PolarHBondContact O-OG 2.8Å; S255-T267 WeakPolarHBondContact CA-O 3.36Å; S255-T267 WeakPolarHBondContact CB-O 3.34Å
256A98.1Very high97.2Very high13 Ų1389.3 Ų89.311%0.10744%0.439CS..EExtended strand (participates in β ladder)trans-152.8145172.500000109.8T267A256-T267 PolarHBondContact N-O 3.31Å; A256-T267 PolarHBondContact O-N 3.13Å
257T98.4Very high97.3Very high3 Ų388.3 Ų88.32%0.01843%0.429CS..EExtended strand (participates in β ladder)trans-98.9122.7175.5-52.50000109.7P234 L239 N240 V265 T266P234-T257 HydrophobicContact CB-CG2 4.38Å; P234-T257 HydrophobicContact CG-CG2 4.12Å; L239-T257 WeakPolarHBondContact CA-O 3.45Å; L239-T257 HydrophobicContact CD2-CG2 3.54Å; N240-T257 PolarHBondContact N-O 2.71Å; T257-V265 WeakPolarHBondContact CA-O 3.41Å; T257-T266 WeakPolarHBondContact CG2-OG1 3.48Å; T257-T266 PolarHBondContact OG1-OG1 3.39Å
258H98.3Very high97.4Very high90 Ų9087.5 Ų87.542%0.41743%0.425SS..EExtended strand (participates in β ladder)trans-116.5149.3179.6-63.394.3000110.8N240 Y264 V265N240-H258 PolarHBondContact OD1-CD2 3.36Å; H258-Y264 WeakPolarHBondContact O-CA 3.44Å; H258-V265 PolarHBondContact N-O 3.42Å; H258-V265 PolarHBondContact O-N 3.33Å
259R98.3Very high97.6Very high162 Ų16284.8 Ų84.861%0.61142%0.417SS*.EExtended strand (participates in β ladder)trans-94.6124.6173.6-171.2179.874-1472.2110.1L239 K261 K263 Y264L239-R259 HydrophobicContact CD1-CB 4.22Å; R259-K261 WeakPolarHBondContact CD-O 3.42Å; R259-K261 WeakPolarHBondContact CG-O 3.44Å; R259-K263 CarbonylContact C-O 3.57Å; R259-K263 WeakPolarHBondContact CA-O 3.3Å; R259-Y264 HydrophobicContact CB-CD1 4.15Å; R259-Y264 HydrophobicContact CB-CE1 4.18Å; R259-Y264 HydrophobicContact CG-CD1 4.16Å; R259-Y264 HydrophobicContact CG-CE1 3.89Å
260Y97.8Very high97.7Very high152 Ų15283.9 Ų83.960%0.59640%0.402SS*.EExtended strand (participates in β ladder)trans-114.1111.3167.5-179.3-99.4000109.4K262 K263Y260-K262 PolarHBondContact O-N 3.4Å; Y260-K262 VanDerWaalsContact O-N 3.07Å; Y260-K263 PolarHBondContact N-O 2.85Å; Y260-K263 PolarHBondContact O-N 2.91Å
261K96.8Very high97.8Very high160 Ų16088.2 Ų88.270%0.69641%0.409SS*.THydrogen-bonded Turntrans53.1-111.6-170.4-58.2180178.6179.70110.8R259R259-K261 WeakPolarHBondContact CD-O 3.42Å; R259-K261 WeakPolarHBondContact CG-O 3.44Å
262K97.6Very high97.8Very high200 Ų20090.5 Ų90.587%0.8743%0.425SS*.THydrogen-bonded Turntrans-106.113.1178.3-61.4-173.2177.8-177.40113.2Y260Y260-K262 PolarHBondContact O-N 3.4Å; Y260-K262 VanDerWaalsContact O-N 3.07Å
263K97.8Very high97.4Very high155 Ų15594.8 Ų94.867%0.67445%0.448SS*.EExtended strand (participates in β ladder)trans-116.6157.8179.8-62.3-168.7177.3-1690110.6R259 Y260R259-K263 CarbonylContact C-O 3.57Å; R259-K263 WeakPolarHBondContact CA-O 3.3Å; Y260-K263 PolarHBondContact N-O 2.85Å; Y260-K263 PolarHBondContact O-N 2.91Å
264Y98.4Very high97.4Very high86 Ų8698.5 Ų98.534%0.33746%0.464SS..EExtended strand (participates in β ladder)trans-118.4137.6178.8-53.3-79.9000109.7E233 P234 L239 H258 R259E233-Y264 HydrophobicContact CG-CE2 4.24Å; P234-Y264 HydrophobicContact CG-CD1 3.7Å; P234-Y264 HydrophobicContact CG-CD2 4.01Å; P234-Y264 HydrophobicContact CG-CE1 4.24Å; P234-Y264 HydrophobicContact CG-CG 3.55Å; L239-Y264 HydrophobicContact CD1-CD1 4.03Å; L239-Y264 HydrophobicContact CD1-CE1 3.71Å; L239-Y264 HydrophobicContact CD2-CD1 3.91Å; L239-Y264 HydrophobicContact CD2-CE1 4.36Å; H258-Y264 WeakPolarHBondContact O-CA 3.44Å; R259-Y264 HydrophobicContact CB-CD1 4.15Å; R259-Y264 HydrophobicContact CB-CE1 4.18Å; R259-Y264 HydrophobicContact CG-CD1 4.16Å; R259-Y264 HydrophobicContact CG-CE1 3.89Å
265V98.1Very high97.4Very high79 Ų79101.4 Ų101.448%0.47948%0.476SS..EExtended strand (participates in β ladder)trans-130.4123.9178.3-1770000108.1T257 H258T257-V265 WeakPolarHBondContact CA-O 3.41Å; H258-V265 PolarHBondContact N-O 3.42Å; H258-V265 PolarHBondContact O-N 3.33Å
266T98.2Very high97.3Very high28 Ų28106.2 Ų106.217%0.17250%0.497CS..EExtended strand (participates in β ladder)trans-99.5109.5172.1-56.90000108.4L217 L218 L231 T257 L268L217-T266 WeakPolarHBondContact CD2-OG1 3.49Å; L218-T266 HydrophobicContact CD1-CG2 4Å; L218-T266 HydrophobicContact CD2-CG2 3.9Å; L218-T266 HydrophobicContact CG-CG2 4.05Å; L231-T266 HydrophobicContact CD1-CG2 4.33Å; T257-T266 WeakPolarHBondContact CG2-OG1 3.48Å; T257-T266 PolarHBondContact OG1-OG1 3.39Å; T266-L268 HydrophobicContact CG2-CD1 4.25Å
267T97.9Very high97.3Very high80 Ų80111.7 Ų111.749%0.49152%0.52SS..EExtended strand (participates in β ladder)trans-96.1135.6-179.4-52.90000109.3S255 A256S255-T267 WeakPolarHBondContact CA-O 3.36Å; S255-T267 WeakPolarHBondContact CB-O 3.34Å; A256-T267 PolarHBondContact N-O 3.31Å; A256-T267 PolarHBondContact O-N 3.13Å
268L98.1Very high97.2Very high77 Ų77118.5 Ų118.540%0.40355%0.552SS.*EExtended strand (participates in β ladder)trans-109.9134.3171.7-72.673.9000109L218 L254 T266 Y270L218-L268 HydrophobicContact CD1-CD1 3.95Å; L218-L268 HydrophobicContact CD1-CD2 4.32Å; L218-L268 HydrophobicContact CD1-CG 4.21Å; L218-L268 HydrophobicContact CD2-CD1 4.47Å; L254-L268 CarbonylContact O-C 3.54Å; L254-L268 WeakPolarHBondContact O-CA 3.45Å; T266-L268 HydrophobicContact CG2-CD1 4.25Å; L268-Y270 HydrophobicContact CB-CE2 4.14Å; L268-Y270 HydrophobicContact CD2-CE2 4.37Å
269L97.8Very high97.2Very high97 Ų97120.4 Ų120.451%0.50856%0.561SS.*EExtended strand (participates in β ladder)trans-118.6121.8175.4176.265.6000109.3V253 L254V253-L269 WeakPolarHBondContact CA-O 3.49Å; L254-L269 PolarHBondContact N-O 3.12Å; L254-L269 PolarHBondContact O-N 2.97Å
270Y97.8Very high97.1Very high146 Ų146117.4 Ų117.457%0.57356%0.557SS**EExtended strand (participates in β ladder)trans-101.1120.3170.8-69.1-102.4000108.3V251 M252 V253 L268V251-Y270 HydrophobicContact CG1-CD1 4.12Å; M252-Y270 WeakPolarHBondContact O-CA 3.19Å; V253-Y270 HydrophobicContact CB-CD1 4.39Å; V253-Y270 HydrophobicContact CB-CE1 4.25Å; V253-Y270 HydrophobicContact CG1-CD1 4.19Å; V253-Y270 HydrophobicContact CG1-CD2 4.43Å; V253-Y270 HydrophobicContact CG1-CE1 3.8Å; V253-Y270 HydrophobicContact CG1-CE2 4.06Å; V253-Y270 HydrophobicContact CG1-CG 4.48Å; V253-Y270 HydrophobicContact CG2-CD1 3.47Å; V253-Y270 VanDerWaalsContact CG2-CD1 3.47Å; V253-Y270 HydrophobicContact CG2-CE1 3.39Å; V253-Y270 HydrophobicContact CG2-CG 4.33Å; L268-Y270 HydrophobicContact CB-CE2 4.14Å; L268-Y270 HydrophobicContact CD2-CE2 4.37Å
271K97.2Very high97Very high132 Ų132114.8 Ų114.857%0.57455%0.554SS**EExtended strand (participates in β ladder)trans-134.1123.1-177.5-175.2178.6174178.50110.5M252M252-K271 PolarHBondContact N-O 2.78Å; M252-K271 PolarHBondContact O-N 3.34Å
272P96.1Very high97.1Very high99 Ų99111 Ų11164%0.64354%0.542SS*.EExtended strand (participates in β ladder)trans-60.9148.9170.3-21.133000111.8G250G250-P272 WeakPolarHBondContact O-CA 3.47Å
273I89.8Confident97Very high153 Ų153102.9 Ų102.979%0.78551%0.512SS*.  trans-100.20177.5-55.1-177.5000110.4I247 G250 M252I247-I273 HydrophobicContact CB-CD1 4.28Å; I247-I273 HydrophobicContact CD1-CD1 3.48Å; I247-I273 VanDerWaalsContact CD1-CD1 3.48Å; I247-I273 HydrophobicContact CG1-CD1 3.81Å; I247-I273 HydrophobicContact CG2-CD1 3.47Å; I247-I273 VanDerWaalsContact CG2-CD1 3.47Å; G250-I273 PolarHBondContact O-N 2.93Å; M252-I273 HydrophobicContact CB-CD1 4.09Å; M252-I273 HydrophobicContact CB-CG1 4.09Å; M252-I273 HydrophobicContact CE-CD1 4.13Å; M252-I273 HydrophobicContact CE-CG1 4.5Å

Retrieved 273 of 273 residues in 97.8 ms (Link to these results)