A0A096N4C2_PAPAN Loading...

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 (Q9Y478), UniProt , Accession A0A096N4C2, Species PAPAN (Papio anubis, Olive baboon), Gene PRKAB1, Length 270 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
1M45.3Very low43.9Very low252 Ų252147.1 Ų147.1100%1.24187%0.866SS**  0129.50-68.6-179.8-170.200107.8
2G51Low43.2Very low83 Ų83149.3 Ų149.386%0.85686%0.862SS**  trans94.469.3172.100000117.8
3N37.4Very low43Very low154 Ų154153.7 Ų153.782%0.82486%0.855SS**  trans-94.9134.1154.4-118.620000107.4
4T51.9Low42.9Very low144 Ų144155 Ų15588%0.88385%0.851SS**  trans-145.3103.4151.355.30000109.7
5S40.4Very low42.4Very low111 Ų111150.2 Ų150.278%0.77685%0.851SS**  trans-75.8147.8160-570000109.9
6S54.9Low42.4Very low123 Ų123146.1 Ų146.186%0.8685%0.852SS**  trans-133113160.3-177.60000108.7
7E39Very low42.3Very low158 Ų158148.6 Ų148.674%0.73885%0.854SS**  trans-99.3163.5167.3-69.9-169.9122.600111
8R40.4Very low42.4Very low227 Ų227150.9 Ų150.986%0.85785%0.852SS**  trans89.7115.2155.7-72-173.6162.589.5-1119.9
9A42Very low42.8Very low96 Ų96149.5 Ų149.579%0.79385%0.848SS**  177.8105.5111.700000108.3
10A36.9Very low42.7Very low95 Ų95148.1 Ų148.179%0.78585%0.845SS**  58.5108.890.300000115.1
11L43.4Very low42.5Very low175 Ų175152.8 Ų152.892%0.91685%0.849SS**  trans-162.5132.1134.8-124.699.7000111.2
12E35.4Very low42.2Very low174 Ų174150.6 Ų150.681%0.81383%0.827SS**  trans-70.4162.1-177.1-57.8-178.3130.900114.7
13R41Very low41.6Very low206 Ų206152 Ų15278%0.77782%0.815SS**  177.9134.8111.6-97.3178.9-149.5-1558.9115.1
14H42.2Very low41.8Very low172 Ų172150 Ų15080%0.79681%0.813SS**  trans65.2126.4155.1-56.7-55.4000118.3
15G34.4Very low41.1Very low83 Ų83148.6 Ų148.686%0.85681%0.808SS**  cis123.899.317.700000109.3
16G42.4Very low40.9Very low84 Ų84147.5 Ų147.587%0.86682%0.815SS**  trans-167.293.317800000112.3
17H40.6Very low40Very low189 Ų189145 Ų14588%0.87581%0.808SS**  trans-92.2156.2179.7-105.2-77.3000112.8
18K44.5Very low39.9Very low190 Ų190143.8 Ų143.883%0.82681%0.812SS**  trans129.2128.9143.5-71.6177.3-175.8-177.10110.9
19T50.5Low40.1Very low125 Ų125141.5 Ų141.577%0.76781%0.808SS**  cis-174.1144.61032.50000107.9
20P40.1Very low39.9Very low121 Ų121144 Ų14479%0.78681%0.808SS**  trans-109.1153.3169.336.9-27.1000112.5
21R39.1Very low40.1Very low246 Ų246143.1 Ų143.193%0.92881%0.809SS**  trans-179.6151.7163.9-101.9167.7-171.9-178.62.6108.8
22R39.8Very low40.1Very low207 Ų207142 Ų14278%0.78180%0.804SS**  cis175.7134.7-21175.9174177.7-152.5-11.6106
23D37.7Very low40.4Very low113 Ų113143.7 Ų143.760%0.60480%0.803SS**  trans55.5145.2149.5-57.6-10.1000125.5
24S41.5Very low40.6Very low112 Ų112138.9 Ų138.978%0.78380%0.798SS**  trans108.6138.9138.9-46.70000114.9
25S37.3Very low40.5Very low113 Ų113139.4 Ų139.479%0.7980%0.798SS**  cis174.3142.1-11.948.30000107
26G36.9Very low41.1Very low88 Ų88143.7 Ų143.791%0.90780%0.8SS**  trans85.6145158.700000116.4
27G35.8Very low41Very low71 Ų71146.9 Ų146.973%0.73280%0.796SS**  cis-177.4144.14.100000110.1
28T35.6Very low41.3Very low133 Ų133145.1 Ų145.182%0.81679%0.79SS**  trans1.2135.1156.457.40000121.3
29K44.1Very low40.9Very low179 Ų179143.2 Ų143.278%0.77879%0.789SS**  164.7133.999.8-95.4-166.4165.8-1780114.4
30D38.2Very low40.4Very low147 Ų147141.7 Ų141.779%0.78678%0.784SS**  trans54.5131.6136.1-58.8-40.6000122.2
31G42.7Very low40.7Very low78 Ų78141.8 Ų141.880%0.80478%0.784SS**  trans170.357.9166.600000117.9
32D41.7Very low40.8Very low151 Ų151137.6 Ų137.681%0.80778%0.775SS**  trans18123.2146.5-134.78000123.2
33R42.3Very low41Very low209 Ų209135.2 Ų135.279%0.78978%0.778SS**  trans22.7171.3137.2-98-175.9170-153.91.7123.3
34P45.3Very low41.3Very low106 Ų106134 Ų13469%0.68878%0.784SS**  cis-139.2175.3-0.324.32.1000117.8
35K39.1Very low41.4Very low183 Ų183136.1 Ų136.180%0.79679%0.786SS**  trans-52.5141.1166.7-62.2169.8173.3-177.10113.4
36I47.9Very low41.6Very low172 Ų172136.9 Ų136.988%0.88278%0.781SS**  trans-123.3122.3156.7-60.8178.4000108
37L40.3Very low41.8Very low152 Ų152142.7 Ų142.780%0.79678%0.781SS**  trans-134.3114.6174.9-172.5153.4000104.5
38M46.2Very low41.9Very low152 Ų152147.7 Ų147.775%0.74979%0.785SS**  trans168.7122146.6-119.3116.6116.100108.2
39D36.8Very low41.8Very low150 Ų150146.9 Ų146.980%0.80279%0.785SS**  64.2103.7107.4-83.1-21.3000114.1
40S39.9Very low41.5Very low93 Ų93146.7 Ų146.765%0.6579%0.787SS**  -175.8141.3113.5-133.10000111.3E42S40-E42 PolarHBondContact O-N 3.5Å
41P45.9Very low41.4Very low123 Ų123148.5 Ų148.580%0.79979%0.791SS**  trans-96.278.3-177.636.8-28.3000110.6
42E42.5Very low41.5Very low158 Ų158151.9 Ų151.974%0.73879%0.789SS**  trans-1385.5-174.3-60.5-172.3-173.200116.4S40 A44S40-E42 PolarHBondContact O-N 3.5Å; E42-A44 PolarHBondContact O-N 2.89Å
43D43.6Very low41.2Very low157 Ų157154.2 Ų154.284%0.8479%0.792SS**  trans-98.638.8177.7-97.8-30.8000113.8D45D43-D45 PolarHBondContact O-N 3.09Å
44A43.4Very low41.1Very low88 Ų88147.1 Ų147.173%0.72778%0.778SS**THydrogen-bonded Turntrans-94.455.4174.500000111.4E42E42-A44 PolarHBondContact O-N 2.89Å
45D42.9Very low41.2Very low156 Ų156146.6 Ų146.683%0.83477%0.774SS**THydrogen-bonded Turntrans-160.922.7171.8-93.1-30.8000115.2D43D43-D45 PolarHBondContact O-N 3.09Å
46L42.8Very low41.6Very low129 Ų129145.1 Ų145.168%0.67577%0.771SS**  trans-128.439.6-171.2-130.591.2000116.3
47F41.7Very low41.7Very low210 Ų210145.4 Ų145.492%0.92177%0.765SS**  trans-135.2101.6158.6-81-80.8000110.4S49F47-S49 PolarHBondContact O-N 3.39Å
48H37.8Very low42.2Very low175 Ų175145.8 Ų145.881%0.8176%0.763SS**  trans-60.6128174.8-74.637.6000110.1E50H48-E50 PolarHBondContact O-N 2.91Å
49S33.5Very low42.5Very low117 Ų117146.2 Ų146.282%0.81876%0.763SS**  trans-59.498.1169-53.90000110.7F47F47-S49 PolarHBondContact O-N 3.39Å
50E37.4Very low43.3Very low174 Ų174146.3 Ų146.381%0.81376%0.757SS**  trans-95.3103.3148.2-75.4-160.6145.200107.4H48 I52H48-E50 PolarHBondContact O-N 2.91Å; E50-I52 VanDerWaalsContact C-N 3.26Å; E50-I52 PolarHBondContact O-N 2.89Å
51E35.1Very low44Very low185 Ų185146.4 Ų146.486%0.86475%0.749SS**  trans-61.485.9169.7-79.5-176.2136.200109.8K53E51-K53 PolarHBondContact O-N 2.98Å
52I45Very low44.6Very low149 Ų149143.2 Ų143.276%0.76473%0.734SS**  trans-7788.2157.4-58.2174.9000105.9E50 A54E50-I52 VanDerWaalsContact C-N 3.26Å; E50-I52 PolarHBondContact O-N 2.89Å; I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 2.68Å
53K35.3Very low45.8Very low200 Ų200141.9 Ų141.987%0.8772%0.722SS**  trans-64.990173.9-153.7177.9-172.7-177.50108.1E51E51-K53 PolarHBondContact O-N 2.98Å
54A39.8Very low46.4Very low60 Ų60138.9 Ų138.950%0.49670%0.703SS.*  trans-63.1134.9-178.200000111.2I52 E56I52-A54 VanDerWaalsContact C-N 3.3Å; I52-A54 PolarHBondContact O-N 2.68Å; A54-E56 PolarHBondContact O-N 2.85Å
55P47.6Very low46.8Very low95 Ų95140.5 Ų140.562%0.61770%0.695SS**THydrogen-bonded Turntrans-78.17.2-17932.1-33.4000113.9K57 E58P55-K57 VanDerWaalsContact C-N 3.27Å; P55-K57 PolarHBondContact O-N 2.9Å; P55-E58 PolarHBondContact O-N 2.88Å
56E48Very low47.4Very low153 Ų153138.7 Ų138.772%0.71569%0.685SS**Hα-helixtrans-69.5-20.6-172.8-65.6-174.9159.300114A54A54-E56 PolarHBondContact O-N 2.85Å
57K51.1Low48Very low178 Ų178138.2 Ų138.277%0.77468%0.683SS**Hα-helixtrans-82.4-25.1-178.1-134.5179.9-175.4-178.90113.2P55P55-K57 VanDerWaalsContact C-N 3.27Å; P55-K57 PolarHBondContact O-N 2.9Å
58E49.6Very low48.7Very low160 Ų160135.6 Ų135.675%0.74867%0.673SS**Hα-helixtrans-81-37.9178-82.2173.516500111.5P55 F60 L61 A62P55-E58 PolarHBondContact O-N 2.88Å; E58-F60 VanDerWaalsContact C-N 3.27Å; E58-F60 PolarHBondContact O-N 2.87Å; E58-L61 PolarHBondContact O-N 2.98Å; E58-A62 PolarHBondContact O-N 3.23Å
59E52.9Low49.4Very low161 Ų161131.7 Ų131.775%0.75266%0.662SS**Hα-helixtrans-63.1-32.7172.4-79.4-171.5154.300112.5L61 A62E59-L61 PolarHBondContact O-N 3.08Å; E59-A62 PolarHBondContact O-N 2.76Å
60F53Low50.4Low152 Ų152132.5 Ų132.567%0.66766%0.657SS**THydrogen-bonded Turntrans-70.7-10.3178.5-160.1-95000114E58 W63E58-F60 VanDerWaalsContact C-N 3.27Å; E58-F60 PolarHBondContact O-N 2.87Å; F60-W63 PolarHBondContact O-NE1 2.86Å
61L54.8Low51.2Low94 Ų94131.3 Ų131.349%0.49266%0.656SS.*THydrogen-bonded Turntrans-109.6-7.3178.6-63.4175.8000113.3E58 E59 W63 Q64E58-L61 PolarHBondContact O-N 2.98Å; E59-L61 PolarHBondContact O-N 3.08Å; L61-W63 PolarHBondContact O-N 2.98Å; L61-Q64 WeakPolarHBondContact O-CB 3.36Å; L61-Q64 PolarHBondContact O-N 2.96Å
62A59.4Low52Low57 Ų57131.6 Ų131.647%0.47166%0.655SS.*Hα-helixtrans-57.9-36.2-177.700000112.9E58 E59 Q64 H65E58-A62 PolarHBondContact O-N 3.23Å; E59-A62 PolarHBondContact O-N 2.76Å; A62-Q64 VanDerWaalsContact C-N 3.27Å; A62-Q64 PolarHBondContact O-N 2.99Å; A62-H65 PolarHBondContact O-N 3.31Å
63W66.6Low52.6Low130 Ų130128 Ų12849%0.49265%0.647SS.*Hα-helixtrans-68.5-21.5178.465.5-87.2000114F60 L61 L67F60-W63 PolarHBondContact O-NE1 2.86Å; L61-W63 PolarHBondContact O-N 2.98Å; W63-L67 HydrophobicContact CE3-CD1 3.93Å; W63-L67 HydrophobicContact CZ3-CD1 3.83Å
64Q57.3Low53.9Low94 Ų94122.7 Ų122.744%0.43963%0.633SS.*Hα-helixtrans-71.5-34.7175.5-74.1-172.5-36.200111.4L61 A62 D66 L67 E68L61-Q64 WeakPolarHBondContact O-CB 3.36Å; L61-Q64 PolarHBondContact O-N 2.96Å; A62-Q64 VanDerWaalsContact C-N 3.27Å; A62-Q64 PolarHBondContact O-N 2.99Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.44Å; Q64-L67 PolarHBondContact O-N 3.22Å; Q64-E68 PolarHBondContact O-N 3.35Å
65H51.9Low55.1Low121 Ų121123.5 Ų123.556%0.5664%0.639SS**Hα-helixtrans-67.3-32.8177.4-167.9-85.9000111.5A62 L67 E68 V69A62-H65 PolarHBondContact O-N 3.31Å; H65-L67 VanDerWaalsContact C-N 3.28Å; H65-L67 PolarHBondContact O-N 2.85Å; H65-E68 PolarHBondContact O-N 2.79Å; H65-V69 VanDerWaalsContact CE1-CG2 3.48Å; H65-V69 WeakPolarHBondContact CE1-CG2 3.47Å; H65-V69 VanDerWaalsContact O-CG2 3.26Å; H65-V69 WeakPolarHBondContact O-CG2 3.25Å; H65-V69 PolarHBondContact O-N 2.87Å
66D54.5Low56.4Low118 Ų118126 Ų12663%0.63164%0.643SS**Hα-helixtrans-66.9-28176.1-66.5-23.7000112.9Q64Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 3.44Å
67L56.5Low58.3Low119 Ų119120.5 Ų120.562%0.62362%0.624SS**Hα-helixtrans-73.7-30.9175.2-70.1170.3000112.5W63 Q64 H65W63-L67 HydrophobicContact CE3-CD1 3.93Å; W63-L67 HydrophobicContact CZ3-CD1 3.83Å; Q64-L67 PolarHBondContact O-N 3.22Å; H65-L67 VanDerWaalsContact C-N 3.28Å; H65-L67 PolarHBondContact O-N 2.85Å
68E54.5Low60.3Low155 Ų155113.2 Ų113.272%0.72459%0.592SS**Hα-helixtrans-87-19.9-176.5-66.8-177.9170.600113.3Q64 H65Q64-E68 PolarHBondContact O-N 3.35Å; H65-E68 PolarHBondContact O-N 2.79Å
69V54.5Low62.6Low94 Ų94109.2 Ų109.257%0.5758%0.579SS**Hα-helixtrans-83.1-18.6-178.21750000113H65 D71H65-V69 VanDerWaalsContact CE1-CG2 3.48Å; H65-V69 WeakPolarHBondContact CE1-CG2 3.47Å; H65-V69 VanDerWaalsContact O-CG2 3.26Å; H65-V69 WeakPolarHBondContact O-CG2 3.25Å; H65-V69 PolarHBondContact O-N 2.87Å; V69-D71 VanDerWaalsContact C-N 3.34Å; V69-D71 PolarHBondContact O-N 2.99Å
70N53.3Low64.7Low134 Ų134102 Ų10272%0.71755%0.546SS*.G310 helixtrans-78.3-10.3-173-159.938000115K72N70-K72 VanDerWaalsContact C-N 3.33Å; N70-K72 PolarHBondContact O-N 2.8Å
71D54.6Low66.8Low149 Ų14999 Ų9980%0.79754%0.541SS*.G310 helixtrans-85.410.4-169.4-102.2-23.3000115.6V69V69-D71 VanDerWaalsContact C-N 3.34Å; V69-D71 PolarHBondContact O-N 2.99Å
72K52.5Low68.9Low191 Ų19194.8 Ų94.883%0.8352%0.518SS*.G310 helixtrans-127.212.6-173.1-68.6-163.2178.6-178.70116.7N70 P74N70-K72 VanDerWaalsContact C-N 3.33Å; N70-K72 PolarHBondContact O-N 2.8Å; K72-P74 WeakPolarHBondContact O-CD 3.41Å
73A56.4Low70.7Confident73 Ų7398.7 Ų98.760%0.60352%0.521SS*.SBendtrans-71.2120.7162.500000108A75A73-A75 PolarHBondContact O-N 2.69Å
74P62.8Low72.2Confident89 Ų8994 Ų9458%0.57850%0.503SS*.  trans-57.7130.9174.824.4-31.7000107.7K72 Q76 A77K72-P74 WeakPolarHBondContact O-CD 3.41Å; P74-Q76 PolarHBondContact O-N 2.63Å; P74-A77 PolarHBondContact O-N 2.83Å
75A65.9Low74Confident76 Ų7693.3 Ų93.363%0.62851%0.505SS*.THydrogen-bonded Turntrans-55.2-2.5-174.700000115.6A73A73-A75 PolarHBondContact O-N 2.69Å
76Q74.8Confident75.8Confident147 Ų14788.6 Ų88.669%0.68749%0.489SS*.THydrogen-bonded Turntrans-91-14.6178.6-62.1-176.2-6.600114.4P74 L118 P119P74-Q76 PolarHBondContact O-N 2.63Å; Q76-L118 CarbonylContact O-C 3.58Å; Q76-P119 VanDerWaalsContact O-CA 3.23Å; Q76-P119 WeakPolarHBondContact O-CA 3.38Å
77A87.8Confident77.4Confident39 Ų3985.7 Ų85.732%0.32249%0.487SS..  trans-110.199.5-179.200000109.8P74 D117P74-A77 PolarHBondContact O-N 2.83Å; A77-D117 HydrophobicContact CB-CB 3.91Å
78R92.9Very high79Confident25 Ų2580.6 Ų80.69%0.09446%0.463CS..EExtended strand (participates in β ladder)trans-120.1116.1-177.1-60.7-169.1174.7162.46111.9T80 D117 L118 E120 V155 K156 F160R78-T80 PolarHBondContact O-N 2.84Å; R78-T80 PolarHBondContact O-OG1 2.92Å; R78-T80 VanDerWaalsContact O-OG1 3.08Å; R78-D117 WeakPolarHBondContact O-CA 2.79Å; R78-L118 WeakPolarHBondContact CB-O 3.23Å; R78-L118 PolarHBondContact N-O 3.41Å; R78-L118 VanDerWaalsContact N-O 3.13Å; R78-L118 PolarHBondContact O-N 2.85Å; R78-E120 IonicContact CZ-OE2 3.18Å; R78-E120 IonicContact NH1-OE2 2.8Å; R78-E120 PolarHBondContact NH1-OE2 2.9Å; R78-E120 IonicContact NH2-OE2 2.75Å; R78-E120 PolarHBondContact NH2-OE2 2.89Å; R78-V155 HydrophobicContact CB-CG1 4.2Å; R78-K156 PolarHBondContact NH1-O 3.31Å; R78-F160 HydrophobicContact CB-CD1 3.97Å; R78-F160 HydrophobicContact CB-CD2 4.13Å; R78-F160 HydrophobicContact CB-CE1 3.53Å; R78-F160 HydrophobicContact CB-CE2 3.72Å; R78-F160 HydrophobicContact CB-CG 4.25Å; R78-F160 HydrophobicContact CB-CZ 3.41Å; R78-F160 VanDerWaalsContact CB-CZ 3.41Å; R78-F160 VanDerWaalsContact CD-CD2 3.49Å; R78-F160 HydrophobicContact CG-CD2 4.28Å; R78-F160 HydrophobicContact CG-CE2 4.23Å; R78-F160 HydrophobicContact CG-CG 4.46Å; R78-F160 HydrophobicContact CG-CZ 4.38Å
79P96.7Very high80.9Confident75 Ų7581.7 Ų81.749%0.48747%0.466SS..EExtended strand (participates in β ladder)trans-62.6104.3-172.6-23.631.7000113.5I115 D117 F160P79-I115 HydrophobicContact CB-CG2 4.06Å; P79-D117 WeakPolarHBondContact CA-OD1 3.12Å; P79-D117 WeakPolarHBondContact CG-OD1 3.47Å; P79-F160 WeakPolarHBondContact O-CE1 2.88Å
80T97.6Very high82.8Confident10 Ų1082.8 Ų82.86%0.06146%0.464CS..EExtended strand (participates in β ladder)trans-106.9125.8-178.1-54.20000109.9R78 F82 I115 L116 L118 I153 V155R78-T80 PolarHBondContact O-N 2.84Å; R78-T80 PolarHBondContact O-OG1 2.92Å; R78-T80 VanDerWaalsContact O-OG1 3.08Å; T80-F82 HydrophobicContact CG2-CE2 3.85Å; T80-F82 HydrophobicContact CG2-CZ 4.07Å; T80-I115 WeakPolarHBondContact O-CA 3.28Å; T80-L116 WeakPolarHBondContact CB-O 3.29Å; T80-L116 PolarHBondContact N-O 3.44Å; T80-L116 PolarHBondContact O-N 2.89Å; T80-L118 HydrophobicContact CG2-CD1 4.16Å; T80-I153 HydrophobicContact CG2-CD1 3.54Å; T80-V155 HydrophobicContact CG2-CG2 4.42Å
81V97.7Very high84.9Confident90 Ų9076.6 Ų76.655%0.54543%0.431SS..EExtended strand (participates in β ladder)trans-89121.9-178.2-176.20000110V113 I115V81-V113 HydrophobicContact CG1-CG1 4.05Å; V81-I115 HydrophobicContact CG2-CG1 4.27Å
82F98Very high87Confident4 Ų472.2 Ų72.22%0.01840%0.404CS..EExtended strand (participates in β ladder)trans-105.5120.9168.2-67.2-89.6000108.9T80 L93 F97 V113 A114 L116 L118 Y125 I153T80-F82 HydrophobicContact CG2-CE2 3.85Å; T80-F82 HydrophobicContact CG2-CZ 4.07Å; F82-L93 HydrophobicContact CB-CD2 3.61Å; F82-L93 HydrophobicContact CD1-CD1 4.05Å; F82-L93 HydrophobicContact CD1-CD2 3.87Å; F82-L93 HydrophobicContact CD2-CD2 3.8Å; F82-L93 HydrophobicContact CE2-CD2 4.46Å; F82-L93 HydrophobicContact CG-CD1 4.43Å; F82-L93 HydrophobicContact CG-CD2 3.46Å; F82-L93 VanDerWaalsContact CG-CD2 3.46Å; F82-F97 HydrophobicContact CE1-CE1 4.23Å; F82-F97 HydrophobicContact CE1-CZ 4.34Å; F82-F97 HydrophobicContact CE2-CE1 4.41Å; F82-F97 HydrophobicContact CE2-CZ 4.3Å; F82-F97 AromaticContact CZ-CE1 3.77Å; F82-F97 HydrophobicContact CZ-CE1 3.77Å; F82-F97 AromaticContact CZ-CZ 3.98Å; F82-F97 HydrophobicContact CZ-CZ 3.98Å; F82-V113 WeakPolarHBondContact O-CA 3.29Å; F82-A114 PolarHBondContact N-O 2.97Å; F82-A114 PolarHBondContact O-N 3.03Å; F82-L116 HydrophobicContact CD2-CB 4.45Å; F82-L116 HydrophobicContact CD2-CD1 4.11Å; F82-L116 HydrophobicContact CD2-CG 4.39Å; F82-L116 HydrophobicContact CE2-CB 4.27Å; F82-L116 HydrophobicContact CE2-CD1 4.13Å; F82-L118 HydrophobicContact CE2-CD1 3.74Å; F82-L118 HydrophobicContact CZ-CD1 3.65Å; F82-Y125 HydrophobicContact CD1-CD1 4.44Å; F82-Y125 AromaticContact CD1-CD2 3.95Å; F82-Y125 HydrophobicContact CD1-CD2 3.95Å; F82-Y125 HydrophobicContact CD1-CE1 4.44Å; F82-Y125 AromaticContact CD1-CE2 3.93Å; F82-Y125 HydrophobicContact CD1-CE2 3.93Å; F82-Y125 HydrophobicContact CD1-CG 4.19Å; F82-Y125 AromaticContact CE1-CD1 3.74Å; F82-Y125 HydrophobicContact CE1-CD1 3.74Å; F82-Y125 HydrophobicContact CE1-CD2 4.02Å; F82-Y125 AromaticContact CE1-CE1 3.93Å; F82-Y125 HydrophobicContact CE1-CE1 3.93Å; F82-Y125 HydrophobicContact CE1-CE2 4.18Å; F82-Y125 AromaticContact CE1-CG 3.78Å; F82-Y125 HydrophobicContact CE1-CG 3.78Å; F82-I153 HydrophobicContact CE1-CG2 4.24Å; F82-I153 HydrophobicContact CZ-CG2 4.22Å
83R97.5Very high89.2Confident139 Ų13963.1 Ų63.153%0.52537%0.365SS..EExtended strand (participates in β ladder)trans-125.7133.1179.5-178.6178.568.4176.50.3110N111 F112 V113R83-N111 HydrophobicContact CG-CB 4.42Å; R83-F112 CarbonylContact C-O 3.56Å; R83-F112 WeakPolarHBondContact CA-O 3.32Å; R83-V113 HydrophobicContact CB-CG2 4.37Å; R83-V113 HydrophobicContact CG-CG2 4.07Å
84W97.5Very high91.2Very high33 Ų3359.7 Ų59.713%0.12534%0.336CS..EExtended strand (participates in β ladder)trans-110.5121.9165.3172.8-98.4000108.9V91 L105 N111 F112 F127 V129 T134 D136W84-V91 HydrophobicContact CB-CG1 4.28Å; W84-V91 HydrophobicContact CG-CG1 4.19Å; W84-L105 HydrophobicContact CB-CD1 4.38Å; W84-N111 CarbonylContact O-C 3.53Å; W84-N111 WeakPolarHBondContact O-CA 3.13Å; W84-F112 HydrophobicContact CB-CB 4.24Å; W84-F112 AromaticContact CD1-CD2 3.95Å; W84-F112 PolarHBondContact N-O 2.77Å; W84-F112 PolarHBondContact O-N 3.43Å; W84-F127 HydrophobicContact CB-CD1 4.05Å; W84-F127 HydrophobicContact CB-CE1 3.82Å; W84-F127 HydrophobicContact CB-CZ 4.18Å; W84-F127 HydrophobicContact CD2-CG 4.43Å; W84-F127 HydrophobicContact CE3-CB 4.25Å; W84-F127 HydrophobicContact CE3-CD1 4.38Å; W84-F127 AromaticContact CE3-CD2 3.59Å; W84-F127 HydrophobicContact CE3-CD2 3.59Å; W84-F127 AromaticContact CE3-CE2 3.93Å; W84-F127 HydrophobicContact CE3-CE2 3.93Å; W84-F127 AromaticContact CE3-CG 3.82Å; W84-F127 HydrophobicContact CE3-CG 3.82Å; W84-F127 HydrophobicContact CE3-CZ 4.47Å; W84-F127 HydrophobicContact CZ3-CD2 4.02Å; W84-F127 HydrophobicContact CZ3-CG 4.42Å; W84-V129 HydrophobicContact CD2-CG2 4.17Å; W84-V129 HydrophobicContact CH2-CG2 4.39Å; W84-V129 HydrophobicContact CZ2-CG2 3.83Å; W84-T134 HydrophobicContact CH2-CG2 3.55Å; W84-T134 HydrophobicContact CZ2-CG2 4.14Å; W84-T134 HydrophobicContact CZ3-CG2 3.96Å; W84-D136 HydrophobicContact CE3-CB 4.39Å; W84-D136 HydrophobicContact CZ3-CB 4.24Å
85T95.5Very high92.9Very high79 Ų7955.4 Ų55.449%0.48531%0.308SS..EExtended strand (participates in β ladder)trans-103.8113.2177.5-62.60000109.5N111T85-N111 WeakPolarHBondContact CB-OD1 3.4Å; T85-N111 PolarHBondContact OG1-OD1 3.43Å
86G90.8Very high94.3Very high21 Ų2154.2 Ų54.222%0.21630%0.295CS..SBendtrans159.8-178.4-177.400000113.5N110G86-N110 PolarHBondContact N-O 2.84Å
87G88.6Confident95.4Very high58 Ų5849.6 Ų49.660%0.59827%0.273SS*.  trans-71.6159.417000000112
88G89.8Confident95.8Very high11 Ų1149 Ų4911%0.11327%0.265CS..  trans168.8146.4175.500000110.4R107 F112 D130G88-R107 PolarHBondContact O-NH1 2.92Å; G88-F112 WeakPolarHBondContact O-CZ 3.4Å; G88-D130 WeakPolarHBondContact CA-OD2 3.46Å
89K93.1Very high96Very high179 Ų17954.9 Ų54.978%0.77830%0.298SS*.SBendtrans-89.2-48163.1-64.9-177.1-178177.90109.7D130K89-D130 WeakPolarHBondContact CA-OD1 3.33Å; K89-D130 WeakPolarHBondContact CB-OD1 3.49Å; K89-D130 PolarHBondContact N-OD1 3.46Å; K89-D130 PolarHBondContact N-OD2 3.43Å
90E95.3Very high96Very high116 Ų11656.5 Ų56.554%0.54229%0.294SS..SBendtrans-128.8122.9179.3-61.4-177.8161.400109.7Y92 D130E90-Y92 HydrophobicContact CB-CE2 3.76Å; E90-D130 PolarHBondContact N-OD1 3.49Å; E90-D130 PolarHBondContact O-N 3.26Å
91V97.9Very high96Very high4 Ų459.1 Ų59.12%0.02431%0.313CS..EExtended strand (participates in β ladder)trans-125.5127.3178-175.60000108.7W84 L105 F112 F127 F128 V129W84-V91 HydrophobicContact CB-CG1 4.28Å; W84-V91 HydrophobicContact CG-CG1 4.19Å; V91-L105 HydrophobicContact CB-CD1 4.42Å; V91-L105 HydrophobicContact CG1-CD1 3.65Å; V91-L105 HydrophobicContact CG1-CG 4.26Å; V91-L105 PolarHBondContact O-N 3.19Å; V91-F112 HydrophobicContact CB-CB 4.17Å; V91-F112 HydrophobicContact CB-CD1 3.64Å; V91-F112 HydrophobicContact CB-CD2 4.44Å; V91-F112 HydrophobicContact CB-CE1 4.07Å; V91-F112 HydrophobicContact CB-CG 3.84Å; V91-F112 HydrophobicContact CG1-CB 4.3Å; V91-F112 HydrophobicContact CG1-CG 4.42Å; V91-F112 HydrophobicContact CG2-CB 4.42Å; V91-F112 HydrophobicContact CG2-CD1 3.6Å; V91-F112 HydrophobicContact CG2-CD2 3.79Å; V91-F112 HydrophobicContact CG2-CE1 3.62Å; V91-F112 HydrophobicContact CG2-CE2 3.84Å; V91-F112 HydrophobicContact CG2-CG 3.67Å; V91-F112 HydrophobicContact CG2-CZ 3.75Å; V91-F127 HydrophobicContact CG1-CD1 4.27Å; V91-F128 WeakPolarHBondContact CA-O 3.46Å; V91-V129 HydrophobicContact CG1-CG2 3.95Å; V91-V129 HydrophobicContact CG2-CG1 4.22Å; V91-V129 HydrophobicContact CG2-CG2 4.3Å
92Y98.3Very high96Very high58 Ų5859.7 Ų59.723%0.22731%0.308CS..EExtended strand (participates in β ladder)trans-121.1153176.2-53.5-100.6000111E90 K102 L103 P104 F127 F128E90-Y92 HydrophobicContact CB-CE2 3.76Å; Y92-K102 HydrophobicContact CD1-CB 3.81Å; Y92-K102 HydrophobicContact CG-CB 4.03Å; Y92-L103 CarbonylContact C-O 3.04Å; Y92-L103 WeakPolarHBondContact CA-O 3.48Å; Y92-P104 HydrophobicContact CD1-CB 3.97Å; Y92-P104 HydrophobicContact CE1-CB 3.89Å; Y92-F127 CarbonylContact O-C 3.39Å; Y92-F127 WeakPolarHBondContact O-CA 3.39Å; Y92-F128 AromaticContact CD2-CD1 3.9Å; Y92-F128 HydrophobicContact CD2-CD1 3.9Å; Y92-F128 HydrophobicContact CE2-CD1 4.47Å; Y92-F128 PolarHBondContact N-O 3.35Å; Y92-F128 PolarHBondContact O-N 2.95Å
93L98.4Very high96Very high0 Ų062.1 Ų62.10%032%0.321CS..EExtended strand (participates in β ladder)trans-112.3133.8173.1176.368.1000109.8F82 F97 N98 S101 L103 L105 L116 Y125 F127F82-L93 HydrophobicContact CB-CD2 3.61Å; F82-L93 HydrophobicContact CD1-CD1 4.05Å; F82-L93 HydrophobicContact CD1-CD2 3.87Å; F82-L93 HydrophobicContact CD2-CD2 3.8Å; F82-L93 HydrophobicContact CE2-CD2 4.46Å; F82-L93 HydrophobicContact CG-CD1 4.43Å; F82-L93 HydrophobicContact CG-CD2 3.46Å; F82-L93 VanDerWaalsContact CG-CD2 3.46Å; L93-F97 HydrophobicContact CD2-CE2 4.32Å; L93-F97 HydrophobicContact CD2-CZ 3.99Å; L93-F97 HydrophobicContact CG-CZ 4.13Å; L93-N98 PolarHBondContact O-ND2 2.89Å; L93-S101 VanDerWaalsContact O-O 3.14Å; L93-L103 PolarHBondContact N-O 2.88Å; L93-L103 WeakPolarHBondContact O-CB 3.41Å; L93-L103 PolarHBondContact O-N 2.87Å; L93-L105 HydrophobicContact CB-CD2 3.77Å; L93-L105 HydrophobicContact CB-CG 4.32Å; L93-L105 HydrophobicContact CD2-CD2 4.42Å; L93-L116 HydrophobicContact CD2-CD1 3.89Å; L93-Y125 HydrophobicContact CD1-CD2 3.59Å; L93-Y125 HydrophobicContact CD1-CG 4.17Å; L93-F127 HydrophobicContact CD1-CD1 4.23Å; L93-F127 HydrophobicContact CD1-CE1 3.97Å; L93-F127 HydrophobicContact CD1-CZ 4.38Å
94S98.4Very high96Very high0 Ų059.6 Ų59.60%032%0.323CS..EExtended strand (participates in β ladder)trans-133.9139.3173.4-63.80000109.7S101 Y125 K126S94-S101 WeakPolarHBondContact CA-O 3.39Å; S94-S101 WeakPolarHBondContact CB-O 3.36Å; S94-S101 VanDerWaalsContact OG-C 3.31Å; S94-S101 PolarHBondContact OG-O 3.27Å; S94-Y125 CarbonylContact O-C 3.54Å; S94-Y125 VanDerWaalsContact O-CA 3.23Å; S94-Y125 WeakPolarHBondContact O-CA 3.15Å; S94-K126 PolarHBondContact N-O 2.88Å; S94-K126 PolarHBondContact O-N 2.96Å
95G97.8Very high96Very high0 Ų058.8 Ų58.80%032%0.321CS..EExtended strand (participates in β ladder)trans-162.5-178.4-179.700000113.9F97 N98 N99 W100 Q124G95-F97 PolarHBondContact O-N 3.42Å; G95-N98 PolarHBondContact N-OD1 2.92Å; G95-N98 PolarHBondContact O-N 3.24Å; G95-N98 PolarHBondContact O-OD1 3.16Å; G95-N99 PolarHBondContact O-N 3.2Å; G95-W100 PolarHBondContact O-N 3.47Å; G95-Q124 CarbonylContact C-O 3.47Å; G95-Q124 WeakPolarHBondContact CA-O 3.33Å
96S97Very high96Very high50 Ų5060.3 Ų60.335%0.3533%0.33SS..G310 helixtrans-57.3-35.1178.750.20000112.7N98 H123 Q124S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact O-N 3.43Å; S96-H123 WeakPolarHBondContact OG-CA 3.38Å; S96-Q124 PolarHBondContact N-O 3.27Å; S96-Q124 PolarHBondContact OG-N 3.05Å
97F96.2Very high96.3Very high51 Ų5166.4 Ų66.422%0.22435%0.346CS..G310 helixtrans-71.7-19.7-17848.4-98000114.8F82 L93 G95 L116 L118 H123F82-F97 HydrophobicContact CE1-CE1 4.23Å; F82-F97 HydrophobicContact CE1-CZ 4.34Å; F82-F97 HydrophobicContact CE2-CE1 4.41Å; F82-F97 HydrophobicContact CE2-CZ 4.3Å; F82-F97 AromaticContact CZ-CE1 3.77Å; F82-F97 HydrophobicContact CZ-CE1 3.77Å; F82-F97 AromaticContact CZ-CZ 3.98Å; F82-F97 HydrophobicContact CZ-CZ 3.98Å; L93-F97 HydrophobicContact CD2-CE2 4.32Å; L93-F97 HydrophobicContact CD2-CZ 3.99Å; L93-F97 HydrophobicContact CG-CZ 4.13Å; G95-F97 PolarHBondContact O-N 3.42Å; F97-L116 HydrophobicContact CD2-CD1 3.97Å; F97-L116 HydrophobicContact CE2-CD1 3.42Å; F97-L116 VanDerWaalsContact CE2-CD1 3.42Å; F97-L116 HydrophobicContact CZ-CD1 4.08Å; F97-L118 HydrophobicContact CB-CD2 3.5Å; F97-L118 HydrophobicContact CD1-CD1 4.06Å; F97-L118 HydrophobicContact CD1-CD2 3.94Å; F97-L118 HydrophobicContact CD2-CD2 4.07Å; F97-L118 HydrophobicContact CE1-CD1 4.4Å; F97-L118 HydrophobicContact CG-CD2 3.57Å; F97-H123 HydrophobicContact CD1-CB 4.05Å
98N96Very high96.4Very high27 Ų2766.7 Ų66.714%0.14434%0.339CS..G310 helixtrans-121.524.2-179.973.9-3.2000112.8L93 G95 S96 W100 S101L93-N98 PolarHBondContact O-ND2 2.89Å; G95-N98 PolarHBondContact N-OD1 2.92Å; G95-N98 PolarHBondContact O-N 3.24Å; G95-N98 PolarHBondContact O-OD1 3.16Å; S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact O-N 3.43Å; N98-W100 PolarHBondContact O-N 2.97Å; N98-W100 VanDerWaalsContact O-N 3.16Å; N98-W100 PolarHBondContact OD1-N 3.37Å; N98-S101 PolarHBondContact ND2-O 3.39Å; N98-S101 WeakPolarHBondContact O-CB 3.42Å; N98-S101 PolarHBondContact O-N 3.42Å; N98-S101 PolarHBondContact O-OG 3.25Å; N98-S101 PolarHBondContact OD1-N 3.04Å; N98-S101 PolarHBondContact OD1-O 2.7Å
99N97Very high96.4Very high148 Ų14874 Ų7479%0.79137%0.37SS*.THydrogen-bonded Turntrans50.836.2-176.3-61.9-49.4000112.8G95 S101G95-N99 PolarHBondContact O-N 3.2Å; N99-S101 PolarHBondContact O-N 2.88Å
100W96.9Very high96.4Very high108 Ų10870.6 Ų70.641%0.40936%0.36SS..THydrogen-bonded Turntrans59.623.7-178.5-58.293.6000115.2G95 N98 Q124 K126 N150G95-W100 PolarHBondContact O-N 3.47Å; N98-W100 PolarHBondContact O-N 2.97Å; N98-W100 VanDerWaalsContact O-N 3.16Å; N98-W100 PolarHBondContact OD1-N 3.37Å; W100-Q124 HydrophobicContact CH2-CB 4.2Å; W100-Q124 HydrophobicContact CZ2-CB 4.3Å; W100-K126 HydrophobicContact CZ3-CB 4.19Å; W100-N150 WeakPolarHBondContact CH2-ND2 3.24Å
101S97.6Very high96.4Very high66 Ų6667.4 Ų67.446%0.46235%0.347SS..  trans-71154.8169.461.60000111.3L93 S94 N98 N99 L103L93-S101 VanDerWaalsContact O-O 3.14Å; S94-S101 WeakPolarHBondContact CA-O 3.39Å; S94-S101 WeakPolarHBondContact CB-O 3.36Å; S94-S101 VanDerWaalsContact OG-C 3.31Å; S94-S101 PolarHBondContact OG-O 3.27Å; N98-S101 PolarHBondContact ND2-O 3.39Å; N98-S101 WeakPolarHBondContact O-CB 3.42Å; N98-S101 PolarHBondContact O-N 3.42Å; N98-S101 PolarHBondContact O-OG 3.25Å; N98-S101 PolarHBondContact OD1-N 3.04Å; N98-S101 PolarHBondContact OD1-O 2.7Å; N99-S101 PolarHBondContact O-N 2.88Å; S101-L103 PolarHBondContact O-N 2.82Å
102K97.7Very high96.3Very high102 Ų10267.4 Ų67.444%0.44335%0.347SS..  trans-85.6102.4-179.9-65.8-174-174.1-174.70110.4Y92 F128Y92-K102 HydrophobicContact CD1-CB 3.81Å; Y92-K102 HydrophobicContact CG-CB 4.03Å; K102-F128 HydrophobicContact CD-CD1 4.13Å; K102-F128 HydrophobicContact CD-CE1 4.48Å; K102-F128 VanDerWaalsContact NZ-CZ 3.26Å
103L97.9Very high96.3Very high55 Ų5566.7 Ų66.729%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-87.8118.1173.4-179.278000109.9Y92 L93 S101 A114 L116Y92-L103 CarbonylContact C-O 3.04Å; Y92-L103 WeakPolarHBondContact CA-O 3.48Å; L93-L103 PolarHBondContact N-O 2.88Å; L93-L103 WeakPolarHBondContact O-CB 3.41Å; L93-L103 PolarHBondContact O-N 2.87Å; S101-L103 PolarHBondContact O-N 2.82Å; L103-A114 HydrophobicContact CD2-CB 4.1Å; L103-L116 HydrophobicContact CD2-CD1 3.78Å; L103-L116 HydrophobicContact CD2-CD2 3.73Å; L103-L116 HydrophobicContact CD2-CG 4.16Å
104P97.6Very high96.2Very high86 Ų8667.4 Ų67.456%0.55835%0.354SS*.EExtended strand (participates in β ladder)trans-68133.2178.527.6-33.6000111.3Y92Y92-P104 HydrophobicContact CD1-CB 3.97Å; Y92-P104 HydrophobicContact CE1-CB 3.89Å
105L97.8Very high96.2Very high16 Ų1672.7 Ų72.78%0.08438%0.381CS..PPolyproline II helixtrans-89.2144.4176.3-60.8-170.9000111.7W84 V91 L93 F112 A114 F127W84-L105 HydrophobicContact CB-CD1 4.38Å; V91-L105 HydrophobicContact CB-CD1 4.42Å; V91-L105 HydrophobicContact CG1-CD1 3.65Å; V91-L105 HydrophobicContact CG1-CG 4.26Å; V91-L105 PolarHBondContact O-N 3.19Å; L93-L105 HydrophobicContact CB-CD2 3.77Å; L93-L105 HydrophobicContact CB-CG 4.32Å; L93-L105 HydrophobicContact CD2-CD2 4.42Å; L105-F112 HydrophobicContact CB-CB 3.8Å; L105-F112 HydrophobicContact CB-CD1 4.42Å; L105-F112 HydrophobicContact CD1-CB 3.87Å; L105-A114 HydrophobicContact CD2-CB 3.39Å; L105-F127 HydrophobicContact CD1-CD1 3.99Å; L105-F127 HydrophobicContact CD1-CE1 3.79Å
106T96.9Very high96.1Very high110 Ų11074.5 Ų74.568%0.67539%0.391SS*.EExtended strand (participates in β ladder)trans-78.7123.5174.6-55.50000110.1F112 V113T106-F112 WeakPolarHBondContact O-CA 3.24Å; T106-V113 PolarHBondContact N-O 3.15Å; T106-V113 PolarHBondContact O-N 2.87Å
107R95.9Very high96.1Very high149 Ų14977 Ų7756%0.56240%0.4SS*.EExtended strand (participates in β ladder)trans-79.9129.3177.6-172.1178.3173.7176.9-4.4111.3G88 H109 F112G88-R107 PolarHBondContact O-NH1 2.92Å; R107-H109 PolarHBondContact NE-O 2.9Å; R107-F112 HydrophobicContact CB-CD1 3.78Å; R107-F112 HydrophobicContact CB-CE1 3.53Å; R107-F112 HydrophobicContact CB-CZ 4.09Å; R107-F112 HydrophobicContact CG-CD1 4.11Å; R107-F112 HydrophobicContact CG-CE1 3.6Å; R107-F112 HydrophobicContact CG-CE2 4.12Å; R107-F112 HydrophobicContact CG-CZ 3.59Å
108S91.6Very high96.1Very high64 Ų6474.7 Ų74.745%0.44839%0.39SS..EExtended strand (participates in β ladder)trans-131.9106.1168.5-179.50000109.7N110 N111S108-N110 PolarHBondContact O-N 2.77Å; S108-N111 CarbonylContact C-O 3.47Å; S108-N111 PolarHBondContact N-O 2.97Å; S108-N111 PolarHBondContact O-N 3.01Å; S108-N111 VanDerWaalsContact O-O 3.11Å
109H90Very high96.1Very high166 Ų16676.5 Ų76.577%0.76940%0.403SS*.THydrogen-bonded Turntrans52.2-105.2-175.6-57.983.9000112.5R107R107-H109 PolarHBondContact NE-O 2.9Å
110N91.7Very high96Very high106 Ų10674.6 Ų74.657%0.56739%0.39SS*.THydrogen-bonded Turntrans-103.37.9-178.3-125.131.6000113.3G86 S108G86-N110 PolarHBondContact N-O 2.84Å; S108-N110 PolarHBondContact O-N 2.77Å
111N95Very high96Very high49 Ų4970.3 Ų70.326%0.26238%0.379SS..EExtended strand (participates in β ladder)trans-121.3149.4179.8-65-56.4000110.6R83 W84 T85 S108 V113R83-N111 HydrophobicContact CG-CB 4.42Å; W84-N111 CarbonylContact O-C 3.53Å; W84-N111 WeakPolarHBondContact O-CA 3.13Å; T85-N111 WeakPolarHBondContact CB-OD1 3.4Å; T85-N111 PolarHBondContact OG1-OD1 3.43Å; S108-N111 CarbonylContact C-O 3.47Å; S108-N111 PolarHBondContact N-O 2.97Å; S108-N111 PolarHBondContact O-N 3.01Å; S108-N111 VanDerWaalsContact O-O 3.11Å; N111-V113 HydrophobicContact CB-CG2 4.4Å
112F97.7Very high96Very high5 Ų572.3 Ų72.32%0.02238%0.381CS..EExtended strand (participates in β ladder)trans-121.8128.9168.9-67.8-102.5000107.9R83 W84 G88 V91 L105 T106 R107R83-F112 CarbonylContact C-O 3.56Å; R83-F112 WeakPolarHBondContact CA-O 3.32Å; W84-F112 HydrophobicContact CB-CB 4.24Å; W84-F112 AromaticContact CD1-CD2 3.95Å; W84-F112 PolarHBondContact N-O 2.77Å; W84-F112 PolarHBondContact O-N 3.43Å; G88-F112 WeakPolarHBondContact O-CZ 3.4Å; V91-F112 HydrophobicContact CB-CB 4.17Å; V91-F112 HydrophobicContact CB-CD1 3.64Å; V91-F112 HydrophobicContact CB-CD2 4.44Å; V91-F112 HydrophobicContact CB-CE1 4.07Å; V91-F112 HydrophobicContact CB-CG 3.84Å; V91-F112 HydrophobicContact CG1-CB 4.3Å; V91-F112 HydrophobicContact CG1-CG 4.42Å; V91-F112 HydrophobicContact CG2-CB 4.42Å; V91-F112 HydrophobicContact CG2-CD1 3.6Å; V91-F112 HydrophobicContact CG2-CD2 3.79Å; V91-F112 HydrophobicContact CG2-CE1 3.62Å; V91-F112 HydrophobicContact CG2-CE2 3.84Å; V91-F112 HydrophobicContact CG2-CG 3.67Å; V91-F112 HydrophobicContact CG2-CZ 3.75Å; L105-F112 HydrophobicContact CB-CB 3.8Å; L105-F112 HydrophobicContact CB-CD1 4.42Å; L105-F112 HydrophobicContact CD1-CB 3.87Å; T106-F112 WeakPolarHBondContact O-CA 3.24Å; R107-F112 HydrophobicContact CB-CD1 3.78Å; R107-F112 HydrophobicContact CB-CE1 3.53Å; R107-F112 HydrophobicContact CB-CZ 4.09Å; R107-F112 HydrophobicContact CG-CD1 4.11Å; R107-F112 HydrophobicContact CG-CE1 3.6Å; R107-F112 HydrophobicContact CG-CE2 4.12Å; R107-F112 HydrophobicContact CG-CZ 3.59Å
113V97.5Very high96Very high42 Ų4268.5 Ų68.526%0.25537%0.365SS..EExtended strand (participates in β ladder)trans-133.8143-170.2-175.70000111.2V81 F82 R83 T106 N111 I115V81-V113 HydrophobicContact CG1-CG1 4.05Å; F82-V113 WeakPolarHBondContact O-CA 3.29Å; R83-V113 HydrophobicContact CB-CG2 4.37Å; R83-V113 HydrophobicContact CG-CG2 4.07Å; T106-V113 PolarHBondContact N-O 3.15Å; T106-V113 PolarHBondContact O-N 2.87Å; N111-V113 HydrophobicContact CB-CG2 4.4Å; V113-I115 HydrophobicContact CG1-CG1 4.47Å
114A97.2Very high96Very high15 Ų1568.4 Ų68.412%0.12436%0.363CS..EExtended strand (participates in β ladder)trans-136.4146.7158.100000109F82 L103 L105F82-A114 PolarHBondContact N-O 2.97Å; F82-A114 PolarHBondContact O-N 3.03Å; L103-A114 HydrophobicContact CD2-CB 4.1Å; L105-A114 HydrophobicContact CD2-CB 3.39Å
115I97.2Very high96Very high111 Ų11164.9 Ų64.957%0.56934%0.339SS*.EExtended strand (participates in β ladder)trans-112.8123.3172.2-54.3-178.6000106.2P79 T80 V81 V113P79-I115 HydrophobicContact CB-CG2 4.06Å; T80-I115 WeakPolarHBondContact O-CA 3.28Å; V81-I115 HydrophobicContact CG2-CG1 4.27Å; V113-I115 HydrophobicContact CG1-CG1 4.47Å
116L96.8Very high96Very high39 Ų3965.5 Ų65.520%0.20434%0.341CS..EExtended strand (participates in β ladder)trans-127.1132.1-176.3-63.5178.2000109.9T80 F82 L93 F97 L103 L118T80-L116 WeakPolarHBondContact CB-O 3.29Å; T80-L116 PolarHBondContact N-O 3.44Å; T80-L116 PolarHBondContact O-N 2.89Å; F82-L116 HydrophobicContact CD2-CB 4.45Å; F82-L116 HydrophobicContact CD2-CD1 4.11Å; F82-L116 HydrophobicContact CD2-CG 4.39Å; F82-L116 HydrophobicContact CE2-CB 4.27Å; F82-L116 HydrophobicContact CE2-CD1 4.13Å; L93-L116 HydrophobicContact CD2-CD1 3.89Å; F97-L116 HydrophobicContact CD2-CD1 3.97Å; F97-L116 HydrophobicContact CE2-CD1 3.42Å; F97-L116 VanDerWaalsContact CE2-CD1 3.42Å; F97-L116 HydrophobicContact CZ-CD1 4.08Å; L103-L116 HydrophobicContact CD2-CD1 3.78Å; L103-L116 HydrophobicContact CD2-CD2 3.73Å; L103-L116 HydrophobicContact CD2-CG 4.16Å; L116-L118 HydrophobicContact CB-CD2 4.26Å; L116-L118 HydrophobicContact CB-CG 4.43Å; L116-L118 PolarHBondContact O-N 2.91Å
117D96.6Very high96.1Very high101 Ų10160.3 Ų60.354%0.5431%0.309SS..EExtended strand (participates in β ladder)trans-76.2115171.8-66.8-35.6000109.7A77 R78 P79A77-D117 HydrophobicContact CB-CB 3.91Å; R78-D117 WeakPolarHBondContact O-CA 2.79Å; P79-D117 WeakPolarHBondContact CA-OD1 3.12Å; P79-D117 WeakPolarHBondContact CG-OD1 3.47Å
118L96.2Very high96.2Very high4 Ų454.6 Ų54.62%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-116.1145-178.4-62.4-172.3000111.6Q76 R78 T80 F82 F97 L116 V155Q76-L118 CarbonylContact O-C 3.58Å; R78-L118 WeakPolarHBondContact CB-O 3.23Å; R78-L118 PolarHBondContact N-O 3.41Å; R78-L118 VanDerWaalsContact N-O 3.13Å; R78-L118 PolarHBondContact O-N 2.85Å; T80-L118 HydrophobicContact CG2-CD1 4.16Å; F82-L118 HydrophobicContact CE2-CD1 3.74Å; F82-L118 HydrophobicContact CZ-CD1 3.65Å; F97-L118 HydrophobicContact CB-CD2 3.5Å; F97-L118 HydrophobicContact CD1-CD1 4.06Å; F97-L118 HydrophobicContact CD1-CD2 3.94Å; F97-L118 HydrophobicContact CD2-CD2 4.07Å; F97-L118 HydrophobicContact CE1-CD1 4.4Å; F97-L118 HydrophobicContact CG-CD2 3.57Å; L116-L118 HydrophobicContact CB-CD2 4.26Å; L116-L118 HydrophobicContact CB-CG 4.43Å; L116-L118 PolarHBondContact O-N 2.91Å; L118-V155 HydrophobicContact CB-CG2 4.11Å; L118-V155 HydrophobicContact CD1-CG2 4.22Å
119P95.3Very high96.5Very high64 Ų6452.4 Ų52.442%0.41627%0.272SS..  trans-63.3152.4166-21.733.4000111.9Q76 G121 H123Q76-P119 VanDerWaalsContact O-CA 3.23Å; Q76-P119 WeakPolarHBondContact O-CA 3.38Å; P119-G121 PolarHBondContact O-N 3.03Å; P119-H123 PolarHBondContact O-NE2 2.82Å
120E95.7Very high96.8Very high108 Ų10848.6 Ų48.651%0.50526%0.257SS..SBendtrans-56.3133.7169.2-169.2173.5156.800110.6R78 V155R78-E120 IonicContact CZ-OE2 3.18Å; R78-E120 IonicContact NH1-OE2 2.8Å; R78-E120 PolarHBondContact NH1-OE2 2.9Å; R78-E120 IonicContact NH2-OE2 2.75Å; R78-E120 PolarHBondContact NH2-OE2 2.89Å; E120-V155 VanDerWaalsContact CG-O 3.24Å; E120-V155 WeakPolarHBondContact CG-O 3.34Å
121G96Very high97Very high19 Ų1945.6 Ų45.620%0.19625%0.252CS..EExtended strand (participates in β ladder)trans141.8-174.3-178.900000113.9P119 Q154 V155P119-G121 PolarHBondContact O-N 3.03Å; G121-Q154 VanDerWaalsContact C-NE2 3.27Å; G121-Q154 PolarHBondContact O-NE2 2.81Å; G121-V155 PolarHBondContact N-O 3.05Å; G121-V155 VanDerWaalsContact N-O 3.12Å; G121-V155 PolarHBondContact O-N 3.02Å
122E97.8Very high97Very high108 Ų10850 Ų5051%0.50527%0.271SS..EExtended strand (participates in β ladder)trans-83.7132.2175.1-175-175.6120.600110I152E122-I152 HydrophobicContact CG-CD1 3.58Å; E122-I152 HydrophobicContact CG-CG1 3.71Å
123H97.7Very high97Very high21 Ų2155.6 Ų55.610%0.09729%0.292CS..EExtended strand (participates in β ladder)trans-130.2137.4171.7-61.8-85.5000110.4S96 F97 P119 I152 I153S96-H123 WeakPolarHBondContact OG-CA 3.38Å; F97-H123 HydrophobicContact CD1-CB 4.05Å; P119-H123 PolarHBondContact O-NE2 2.82Å; H123-I152 WeakPolarHBondContact O-CA 3.07Å; H123-I153 HydrophobicContact CB-CG2 3.91Å; H123-I153 PolarHBondContact N-O 2.91Å; H123-I153 PolarHBondContact O-N 2.98Å
124Q98Very high97Very high54 Ų5455.7 Ų55.725%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-104.5141.1173.9-65.6-176.32500109.9G95 S96 W100 V142 N150 N151G95-Q124 CarbonylContact C-O 3.47Å; G95-Q124 WeakPolarHBondContact CA-O 3.33Å; S96-Q124 PolarHBondContact N-O 3.27Å; S96-Q124 PolarHBondContact OG-N 3.05Å; W100-Q124 HydrophobicContact CH2-CB 4.2Å; W100-Q124 HydrophobicContact CZ2-CB 4.3Å; Q124-V142 HydrophobicContact CG-CG1 3.97Å; Q124-N150 HydrophobicContact CB-CB 4.42Å; Q124-N150 PolarHBondContact OE1-ND2 3.17Å; Q124-N151 WeakPolarHBondContact CA-O 3.4Å
125Y98.4Very high97Very high11 Ų1157.6 Ų57.64%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-147.4165.6-179.169-80.1000112.2F82 L93 S94 F127 N151 I153F82-Y125 HydrophobicContact CD1-CD1 4.44Å; F82-Y125 AromaticContact CD1-CD2 3.95Å; F82-Y125 HydrophobicContact CD1-CD2 3.95Å; F82-Y125 HydrophobicContact CD1-CE1 4.44Å; F82-Y125 AromaticContact CD1-CE2 3.93Å; F82-Y125 HydrophobicContact CD1-CE2 3.93Å; F82-Y125 HydrophobicContact CD1-CG 4.19Å; F82-Y125 AromaticContact CE1-CD1 3.74Å; F82-Y125 HydrophobicContact CE1-CD1 3.74Å; F82-Y125 HydrophobicContact CE1-CD2 4.02Å; F82-Y125 AromaticContact CE1-CE1 3.93Å; F82-Y125 HydrophobicContact CE1-CE1 3.93Å; F82-Y125 HydrophobicContact CE1-CE2 4.18Å; F82-Y125 AromaticContact CE1-CG 3.78Å; F82-Y125 HydrophobicContact CE1-CG 3.78Å; L93-Y125 HydrophobicContact CD1-CD2 3.59Å; L93-Y125 HydrophobicContact CD1-CG 4.17Å; S94-Y125 CarbonylContact O-C 3.54Å; S94-Y125 VanDerWaalsContact O-CA 3.23Å; S94-Y125 WeakPolarHBondContact O-CA 3.15Å; Y125-F127 HydrophobicContact CD2-CE2 4.11Å; Y125-F127 HydrophobicContact CD2-CZ 4.31Å; Y125-F127 HydrophobicContact CE2-CD2 4.47Å; Y125-F127 AromaticContact CE2-CE2 3.61Å; Y125-F127 HydrophobicContact CE2-CE2 3.61Å; Y125-F127 AromaticContact CE2-CZ 3.87Å; Y125-F127 HydrophobicContact CE2-CZ 3.87Å; Y125-N151 HydrophobicContact CD1-CB 3.8Å; Y125-N151 HydrophobicContact CD2-CB 3.96Å; Y125-N151 HydrophobicContact CE1-CB 3.35Å; Y125-N151 HydrophobicContact CE2-CB 3.54Å; Y125-N151 HydrophobicContact CG-CB 4.09Å; Y125-N151 PolarHBondContact N-O 3.4Å; Y125-N151 PolarHBondContact O-N 2.91Å; Y125-I153 HydrophobicContact CD1-CG2 4.11Å; Y125-I153 HydrophobicContact CE1-CB 4.03Å; Y125-I153 HydrophobicContact CE1-CG2 4.03Å
126K98.1Very high97Very high30 Ų3052.9 Ų52.913%0.1328%0.275CS..EExtended strand (participates in β ladder)trans-153.8148.1177.7-170.9174.1-92.1164.20110.1S94 W100 W133 T134 V149 N150S94-K126 PolarHBondContact N-O 2.88Å; S94-K126 PolarHBondContact O-N 2.96Å; W100-K126 HydrophobicContact CZ3-CB 4.19Å; K126-W133 HydrophobicContact CB-CE3 4.28Å; K126-W133 HydrophobicContact CB-CZ3 4.35Å; K126-W133 HydrophobicContact CD-CB 4.17Å; K126-W133 HydrophobicContact CD-CD2 4.34Å; K126-W133 HydrophobicContact CD-CE3 3.73Å; K126-W133 HydrophobicContact CG-CE3 3.82Å; K126-W133 HydrophobicContact CG-CZ3 4.37Å; K126-T134 WeakPolarHBondContact CG-O 3.5Å; K126-V149 WeakPolarHBondContact CE-O 3.44Å; K126-V149 PolarHBondContact NZ-O 2.98Å; K126-N150 WeakPolarHBondContact CE-OD1 3.34Å; K126-N150 PolarHBondContact NZ-OD1 3.31Å
127F98.3Very high96.9Very high1 Ų156.3 Ų56.30%0.00430%0.299CS..EExtended strand (participates in β ladder)trans-93.1146.5175.5-62.3-82.6000111.4W84 V91 Y92 L93 L105 Y125 V129 T134 D136W84-F127 HydrophobicContact CB-CD1 4.05Å; W84-F127 HydrophobicContact CB-CE1 3.82Å; W84-F127 HydrophobicContact CB-CZ 4.18Å; W84-F127 HydrophobicContact CD2-CG 4.43Å; W84-F127 HydrophobicContact CE3-CB 4.25Å; W84-F127 HydrophobicContact CE3-CD1 4.38Å; W84-F127 AromaticContact CE3-CD2 3.59Å; W84-F127 HydrophobicContact CE3-CD2 3.59Å; W84-F127 AromaticContact CE3-CE2 3.93Å; W84-F127 HydrophobicContact CE3-CE2 3.93Å; W84-F127 AromaticContact CE3-CG 3.82Å; W84-F127 HydrophobicContact CE3-CG 3.82Å; W84-F127 HydrophobicContact CE3-CZ 4.47Å; W84-F127 HydrophobicContact CZ3-CD2 4.02Å; W84-F127 HydrophobicContact CZ3-CG 4.42Å; V91-F127 HydrophobicContact CG1-CD1 4.27Å; Y92-F127 CarbonylContact O-C 3.39Å; Y92-F127 WeakPolarHBondContact O-CA 3.39Å; L93-F127 HydrophobicContact CD1-CD1 4.23Å; L93-F127 HydrophobicContact CD1-CE1 3.97Å; L93-F127 HydrophobicContact CD1-CZ 4.38Å; L105-F127 HydrophobicContact CD1-CD1 3.99Å; L105-F127 HydrophobicContact CD1-CE1 3.79Å; Y125-F127 HydrophobicContact CD2-CE2 4.11Å; Y125-F127 HydrophobicContact CD2-CZ 4.31Å; Y125-F127 HydrophobicContact CE2-CD2 4.47Å; Y125-F127 AromaticContact CE2-CE2 3.61Å; Y125-F127 HydrophobicContact CE2-CE2 3.61Å; Y125-F127 AromaticContact CE2-CZ 3.87Å; Y125-F127 HydrophobicContact CE2-CZ 3.87Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; F127-T134 WeakPolarHBondContact CA-O 3.33Å; F127-T134 HydrophobicContact CB-CG2 4.24Å; F127-T134 PolarHBondContact N-O 3.48Å; F127-T134 PolarHBondContact O-N 3.39Å; F127-D136 HydrophobicContact CD2-CB 4.45Å; F127-D136 HydrophobicContact CE2-CB 3.96Å
128F97.9Very high96.9Very high29 Ų2956 Ų5613%0.12731%0.305CS..EExtended strand (participates in β ladder)trans-116.8103.5168.4-172.7-102.6000108V91 Y92 K102 G131 Q132 W133V91-F128 WeakPolarHBondContact CA-O 3.46Å; Y92-F128 AromaticContact CD2-CD1 3.9Å; Y92-F128 HydrophobicContact CD2-CD1 3.9Å; Y92-F128 HydrophobicContact CE2-CD1 4.47Å; Y92-F128 PolarHBondContact N-O 3.35Å; Y92-F128 PolarHBondContact O-N 2.95Å; K102-F128 HydrophobicContact CD-CD1 4.13Å; K102-F128 HydrophobicContact CD-CE1 4.48Å; K102-F128 VanDerWaalsContact NZ-CZ 3.26Å; F128-G131 VanDerWaalsContact CE2-C 3.44Å; F128-G131 VanDerWaalsContact CE2-O 3.25Å; F128-G131 WeakPolarHBondContact CE2-O 3.04Å; F128-G131 VanDerWaalsContact CZ-C 3.4Å; F128-G131 WeakPolarHBondContact CZ-O 3.36Å; F128-Q132 CarbonylContact C-O 3.57Å; F128-Q132 WeakPolarHBondContact CA-O 3.35Å; F128-W133 HydrophobicContact CB-CD2 4.34Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.25Å; F128-W133 HydrophobicContact CB-CZ3 3.92Å; F128-W133 AromaticContact CD2-CD1 3.85Å; F128-W133 AromaticContact CD2-CD2 3.57Å; F128-W133 HydrophobicContact CD2-CD2 3.57Å; F128-W133 AromaticContact CD2-CE2 3.54Å; F128-W133 HydrophobicContact CD2-CE3 4.07Å; F128-W133 AromaticContact CD2-CG 3.8Å; F128-W133 HydrophobicContact CD2-CG 3.8Å; F128-W133 HydrophobicContact CD2-CZ2 4.06Å; F128-W133 AromaticContact CD2-NE1 3.7Å; F128-W133 AromaticContact CE2-CD1 3.92Å; F128-W133 HydrophobicContact CE2-CD2 4.37Å; F128-W133 HydrophobicContact CE2-CG 4.3Å; F128-W133 AromaticContact CE2-NE1 3.77Å; F128-W133 HydrophobicContact CG-CD2 4.42Å
129V97.4Very high97Very high17 Ų1759.8 Ų59.810%0.10332%0.323CS..EExtended strand (participates in β ladder)trans-113.8118.1-171.4179.60000108.2W84 V91 F127 G131 Q132 T134W84-V129 HydrophobicContact CD2-CG2 4.17Å; W84-V129 HydrophobicContact CH2-CG2 4.39Å; W84-V129 HydrophobicContact CZ2-CG2 3.83Å; V91-V129 HydrophobicContact CG1-CG2 3.95Å; V91-V129 HydrophobicContact CG2-CG1 4.22Å; V91-V129 HydrophobicContact CG2-CG2 4.3Å; F127-V129 HydrophobicContact CB-CG2 4.05Å; V129-G131 PolarHBondContact O-N 3.15Å; V129-G131 VanDerWaalsContact O-N 3.08Å; V129-Q132 PolarHBondContact N-O 3.27Å; V129-Q132 PolarHBondContact O-N 3.12Å; V129-T134 HydrophobicContact CB-CG2 4.2Å; V129-T134 HydrophobicContact CG2-CG2 3.71Å
130D96Very high97.1Very high86 Ų8660.5 Ų60.546%0.4633%0.327SS..THydrogen-bonded Turntrans47.841.2176.3-67.5-21.1000114.4G88 K89 E90G88-D130 WeakPolarHBondContact CA-OD2 3.46Å; K89-D130 WeakPolarHBondContact CA-OD1 3.33Å; K89-D130 WeakPolarHBondContact CB-OD1 3.49Å; K89-D130 PolarHBondContact N-OD1 3.46Å; K89-D130 PolarHBondContact N-OD2 3.43Å; E90-D130 PolarHBondContact N-OD1 3.49Å; E90-D130 PolarHBondContact O-N 3.26Å
131G95.7Very high97.2Very high44 Ų4459.3 Ų59.345%0.45432%0.324SS..THydrogen-bonded Turntrans91.1-5.1178.500000115.2F128 V129F128-G131 VanDerWaalsContact CE2-C 3.44Å; F128-G131 VanDerWaalsContact CE2-O 3.25Å; F128-G131 WeakPolarHBondContact CE2-O 3.04Å; F128-G131 VanDerWaalsContact CZ-C 3.4Å; F128-G131 WeakPolarHBondContact CZ-O 3.36Å; V129-G131 PolarHBondContact O-N 3.15Å; V129-G131 VanDerWaalsContact O-N 3.08Å
132Q96.7Very high97.3Very high140 Ų14060.5 Ų60.565%0.65433%0.327SS*.EExtended strand (participates in β ladder)trans-112.6134.6-176.4-61.8-64.1-21.200111.8F128 V129F128-Q132 CarbonylContact C-O 3.57Å; F128-Q132 WeakPolarHBondContact CA-O 3.35Å; V129-Q132 PolarHBondContact N-O 3.27Å; V129-Q132 PolarHBondContact O-N 3.12Å
133W96.7Very high97.2Very high123 Ų12359.4 Ų59.447%0.46633%0.328SS..EExtended strand (participates in β ladder)trans-78.8121.9171.8-78.1109.9000110.1K126 F128K126-W133 HydrophobicContact CB-CE3 4.28Å; K126-W133 HydrophobicContact CB-CZ3 4.35Å; K126-W133 HydrophobicContact CD-CB 4.17Å; K126-W133 HydrophobicContact CD-CD2 4.34Å; K126-W133 HydrophobicContact CD-CE3 3.73Å; K126-W133 HydrophobicContact CG-CE3 3.82Å; K126-W133 HydrophobicContact CG-CZ3 4.37Å; F128-W133 HydrophobicContact CB-CD2 4.34Å; F128-W133 HydrophobicContact CB-CE3 3.96Å; F128-W133 HydrophobicContact CB-CH2 4.25Å; F128-W133 HydrophobicContact CB-CZ3 3.92Å; F128-W133 AromaticContact CD2-CD1 3.85Å; F128-W133 AromaticContact CD2-CD2 3.57Å; F128-W133 HydrophobicContact CD2-CD2 3.57Å; F128-W133 AromaticContact CD2-CE2 3.54Å; F128-W133 HydrophobicContact CD2-CE3 4.07Å; F128-W133 AromaticContact CD2-CG 3.8Å; F128-W133 HydrophobicContact CD2-CG 3.8Å; F128-W133 HydrophobicContact CD2-CZ2 4.06Å; F128-W133 AromaticContact CD2-NE1 3.7Å; F128-W133 AromaticContact CE2-CD1 3.92Å; F128-W133 HydrophobicContact CE2-CD2 4.37Å; F128-W133 HydrophobicContact CE2-CG 4.3Å; F128-W133 AromaticContact CE2-NE1 3.77Å; F128-W133 HydrophobicContact CG-CD2 4.42Å
134T97Very high96.8Very high45 Ų4561.3 Ų61.328%0.27634%0.343SS..EExtended strand (participates in β ladder)trans-142.3154.5-179.9-169.50000111.4W84 K126 F127 V129W84-T134 HydrophobicContact CH2-CG2 3.55Å; W84-T134 HydrophobicContact CZ2-CG2 4.14Å; W84-T134 HydrophobicContact CZ3-CG2 3.96Å; K126-T134 WeakPolarHBondContact CG-O 3.5Å; F127-T134 WeakPolarHBondContact CA-O 3.33Å; F127-T134 HydrophobicContact CB-CG2 4.24Å; F127-T134 PolarHBondContact N-O 3.48Å; F127-T134 PolarHBondContact O-N 3.39Å; V129-T134 HydrophobicContact CB-CG2 4.2Å; V129-T134 HydrophobicContact CG2-CG2 3.71Å
135H96.9Very high96.5Very high54 Ų5468.4 Ų68.425%0.2538%0.377CS..  trans-101.9163.2168.466.6-85.3000109.1P137 N151H135-P137 WeakPolarHBondContact O-CD 3.45Å; H135-N151 VanDerWaalsContact CA-OD1 3.29Å; H135-N151 WeakPolarHBondContact CA-OD1 3.37Å; H135-N151 VanDerWaalsContact CB-OD1 3.28Å; H135-N151 WeakPolarHBondContact CB-OD1 3.33Å
136D97Very high96.2Very high13 Ų1375.5 Ų75.57%0.0741%0.414CS..  trans-82.4116.3168.7-169.4-33.1000109.4W84 F127 S138 E139 N151W84-D136 HydrophobicContact CE3-CB 4.39Å; W84-D136 HydrophobicContact CZ3-CB 4.24Å; F127-D136 HydrophobicContact CD2-CB 4.45Å; F127-D136 HydrophobicContact CE2-CB 3.96Å; D136-S138 PolarHBondContact O-N 3.46Å; D136-S138 WeakPolarHBondContact OD1-CB 3.23Å; D136-S138 PolarHBondContact OD1-N 3.13Å; D136-S138 PolarHBondContact OD1-OG 3.31Å; D136-E139 HydrophobicContact CB-CB 4.25Å; D136-E139 HydrophobicContact CB-CG 4.13Å; D136-E139 PolarHBondContact O-N 2.98Å; D136-N151 PolarHBondContact N-OD1 3.08Å; D136-N151 PolarHBondContact O-ND2 2.79Å
137P96.2Very high95.9Very high110 Ų11076.7 Ų76.771%0.71444%0.435SS*.THydrogen-bonded Turntrans-70.3-15.5180-18.733.3000114.6H135H135-P137 WeakPolarHBondContact O-CD 3.45Å
138S96.3Very high95.7Very high94 Ų9479.7 Ų79.766%0.65745%0.454SS*.THydrogen-bonded Turntrans-85.5-15.6179.568.70000113.2D136D136-S138 PolarHBondContact O-N 3.46Å; D136-S138 WeakPolarHBondContact OD1-CB 3.23Å; D136-S138 PolarHBondContact OD1-N 3.13Å; D136-S138 PolarHBondContact OD1-OG 3.31Å
139E97.5Very high95.7Very high85 Ų8580.3 Ų80.340%0.39746%0.46SS..SBendtrans-103.2156.6-179.2-63.4-62.1160.800111.3D136D136-E139 HydrophobicContact CB-CB 4.25Å; D136-E139 HydrophobicContact CB-CG 4.13Å; D136-E139 PolarHBondContact O-N 2.98Å
140P97.8Very high95.7Very high79 Ų7980.1 Ų80.151%0.51346%0.458SS..  trans-55.7145.5176.7-25.335.1000113.3N151 I152P140-N151 VanDerWaalsContact O-CA 3.29Å; P140-N151 WeakPolarHBondContact O-CA 3.27Å; P140-N151 PolarHBondContact O-ND2 3.34Å; P140-I152 HydrophobicContact CB-CG2 3.84Å; P140-I152 PolarHBondContact O-N 3.01Å
141I98.1Very high95.8Very high83 Ų8376 Ų7643%0.42644%0.436SS..EExtended strand (participates in β ladder)trans-127.7156.8179.660.6168.1000112.6V149 N150 N151I141-V149 HydrophobicContact CB-CG1 4.21Å; I141-V149 HydrophobicContact CD1-CG1 3.92Å; I141-V149 HydrophobicContact CG2-CG1 4.41Å; I141-N150 CarbonylContact C-O 3.56Å; I141-N150 VanDerWaalsContact CA-O 3.24Å; I141-N150 WeakPolarHBondContact CA-O 3.47Å; I141-N150 WeakPolarHBondContact CB-O 3.43Å; I141-N151 WeakPolarHBondContact CG2-ND2 3.49Å
142V97.5Very high95.9Very high44 Ų4475.6 Ų75.627%0.26742%0.423SS..EExtended strand (participates in β ladder)trans-130.6138.6170.264.50000109.7Q124 N150 I152Q124-V142 HydrophobicContact CG-CG1 3.97Å; V142-N150 HydrophobicContact CG1-CB 4.49Å; V142-N150 PolarHBondContact N-O 3.33Å; V142-N150 PolarHBondContact O-N 2.94Å; V142-I152 HydrophobicContact CB-CB 4.36Å; V142-I152 HydrophobicContact CB-CD1 4.3Å; V142-I152 HydrophobicContact CB-CG2 4.41Å; V142-I152 HydrophobicContact CG1-CB 4.09Å; V142-I152 HydrophobicContact CG1-CD1 4.36Å
143T96.4Very high96Very high85 Ų8571 Ų7152%0.52140%0.402SS..EExtended strand (participates in β ladder)trans-111.1121.1178.6-55.60000109.7T148 V149T143-T148 WeakPolarHBondContact CA-O 3.41Å; T143-V149 HydrophobicContact CG2-CG2 4.14Å
144S89.9Confident96Very high61 Ų6169.3 Ų69.343%0.42740%0.4SS..  trans-71.4159.2175.1178.40000111.5L146 G147 T148S144-L146 PolarHBondContact O-N 3.21Å; S144-L146 VanDerWaalsContact O-N 3.09Å; S144-G147 PolarHBondContact O-N 2.67Å; S144-T148 PolarHBondContact N-O 3.34Å
145Q90.9Very high96Very high203 Ų20367.4 Ų67.495%0.94939%0.388SS*.THydrogen-bonded Turntrans-57.2-23.8174.1-61.1179.313.100112.9G147Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å
146L92.6Very high95.9Very high159 Ų15969.9 Ų69.983%0.83240%0.398SS*.THydrogen-bonded Turntrans-83.82.5176.4-60175.5000113.6S144S144-L146 PolarHBondContact O-N 3.21Å; S144-L146 VanDerWaalsContact O-N 3.09Å
147G92.3Very high95.7Very high55 Ų5575.1 Ų75.157%0.56742%0.42SS*.SBendtrans84.61.9-179.100000115S144 Q145 V149S144-G147 PolarHBondContact O-N 2.67Å; Q145-G147 VanDerWaalsContact C-N 3.28Å; Q145-G147 PolarHBondContact O-N 3.3Å; G147-V149 PolarHBondContact O-N 3.38Å
148T93.5Very high95.5Very high65 Ų6572.4 Ų72.440%0.39940%0.402SS..  trans-72.6121.4175.9-53.60000110.8T143 S144T143-T148 WeakPolarHBondContact CA-O 3.41Å; S144-T148 PolarHBondContact N-O 3.34Å
149V97.1Very high95.3Very high41 Ų4171.4 Ų71.425%0.24839%0.389CS..EExtended strand (participates in β ladder)trans-98.8119.9176.1-177.30000110K126 I141 T143 G147K126-V149 WeakPolarHBondContact CE-O 3.44Å; K126-V149 PolarHBondContact NZ-O 2.98Å; I141-V149 HydrophobicContact CB-CG1 4.21Å; I141-V149 HydrophobicContact CD1-CG1 3.92Å; I141-V149 HydrophobicContact CG2-CG1 4.41Å; T143-V149 HydrophobicContact CG2-CG2 4.14Å; G147-V149 PolarHBondContact O-N 3.38Å
150N97.9Very high95.1Very high14 Ų1470.7 Ų70.78%0.07539%0.385CS..EExtended strand (participates in β ladder)trans-121.3157.7174.9-65.3-25.3000109.9W100 Q124 K126 I141 V142W100-N150 WeakPolarHBondContact CH2-ND2 3.24Å; Q124-N150 HydrophobicContact CB-CB 4.42Å; Q124-N150 PolarHBondContact OE1-ND2 3.17Å; K126-N150 WeakPolarHBondContact CE-OD1 3.34Å; K126-N150 PolarHBondContact NZ-OD1 3.31Å; I141-N150 CarbonylContact C-O 3.56Å; I141-N150 VanDerWaalsContact CA-O 3.24Å; I141-N150 WeakPolarHBondContact CA-O 3.47Å; I141-N150 WeakPolarHBondContact CB-O 3.43Å; V142-N150 HydrophobicContact CG1-CB 4.49Å; V142-N150 PolarHBondContact N-O 3.33Å; V142-N150 PolarHBondContact O-N 2.94Å
151N98.3Very high94.8Very high0 Ų071.6 Ų71.60%038%0.382CS..EExtended strand (participates in β ladder)trans-73.5154163.1-69.2109.8000110.3Q124 Y125 H135 D136 P140 I141Q124-N151 WeakPolarHBondContact CA-O 3.4Å; Y125-N151 HydrophobicContact CD1-CB 3.8Å; Y125-N151 HydrophobicContact CD2-CB 3.96Å; Y125-N151 HydrophobicContact CE1-CB 3.35Å; Y125-N151 HydrophobicContact CE2-CB 3.54Å; Y125-N151 HydrophobicContact CG-CB 4.09Å; Y125-N151 PolarHBondContact N-O 3.4Å; Y125-N151 PolarHBondContact O-N 2.91Å; H135-N151 VanDerWaalsContact CA-OD1 3.29Å; H135-N151 WeakPolarHBondContact CA-OD1 3.37Å; H135-N151 VanDerWaalsContact CB-OD1 3.28Å; H135-N151 WeakPolarHBondContact CB-OD1 3.33Å; D136-N151 PolarHBondContact N-OD1 3.08Å; D136-N151 PolarHBondContact O-ND2 2.79Å; P140-N151 VanDerWaalsContact O-CA 3.29Å; P140-N151 WeakPolarHBondContact O-CA 3.27Å; P140-N151 PolarHBondContact O-ND2 3.34Å; I141-N151 WeakPolarHBondContact CG2-ND2 3.49Å
152I98.2Very high94.5Very high34 Ų3472.3 Ų72.317%0.17439%0.39CS..EExtended strand (participates in β ladder)trans-130.8133.2178.9-175.2170.1000109.4E122 H123 P140 V142E122-I152 HydrophobicContact CG-CD1 3.58Å; E122-I152 HydrophobicContact CG-CG1 3.71Å; H123-I152 WeakPolarHBondContact O-CA 3.07Å; P140-I152 HydrophobicContact CB-CG2 3.84Å; P140-I152 PolarHBondContact O-N 3.01Å; V142-I152 HydrophobicContact CB-CB 4.36Å; V142-I152 HydrophobicContact CB-CD1 4.3Å; V142-I152 HydrophobicContact CB-CG2 4.41Å; V142-I152 HydrophobicContact CG1-CB 4.09Å; V142-I152 HydrophobicContact CG1-CD1 4.36Å
153I98Very high94.2Very high43 Ų4378.4 Ų78.422%0.22141%0.413CS..EExtended strand (participates in β ladder)trans-126.9136.7174.6-173.7164.1000109.5T80 F82 H123 Y125T80-I153 HydrophobicContact CG2-CD1 3.54Å; F82-I153 HydrophobicContact CE1-CG2 4.24Å; F82-I153 HydrophobicContact CZ-CG2 4.22Å; H123-I153 HydrophobicContact CB-CG2 3.91Å; H123-I153 PolarHBondContact N-O 2.91Å; H123-I153 PolarHBondContact O-N 2.98Å; Y125-I153 HydrophobicContact CD1-CG2 4.11Å; Y125-I153 HydrophobicContact CE1-CB 4.03Å; Y125-I153 HydrophobicContact CE1-CG2 4.03Å
154Q97.4Very high94.1Very high89 Ų8977.3 Ų77.342%0.41640%0.404SS..EExtended strand (participates in β ladder)trans-106.9106.8173.8-17666.238.600108.7G121 K156G121-Q154 VanDerWaalsContact C-NE2 3.27Å; G121-Q154 PolarHBondContact O-NE2 2.81Å; Q154-K156 HydrophobicContact CG-CD 4.43Å; Q154-K156 HydrophobicContact CG-CG 3.84Å; Q154-K156 PolarHBondContact O-N 2.91Å
155V96.8Very high94.2Very high4 Ų475.5 Ų75.52%0.02439%0.393CS..EExtended strand (participates in β ladder)trans-78.7114.8174.9179.60000107.4R78 T80 L118 E120 G121 F160R78-V155 HydrophobicContact CB-CG1 4.2Å; T80-V155 HydrophobicContact CG2-CG2 4.42Å; L118-V155 HydrophobicContact CB-CG2 4.11Å; L118-V155 HydrophobicContact CD1-CG2 4.22Å; E120-V155 VanDerWaalsContact CG-O 3.24Å; E120-V155 WeakPolarHBondContact CG-O 3.34Å; G121-V155 PolarHBondContact N-O 3.05Å; G121-V155 VanDerWaalsContact N-O 3.12Å; G121-V155 PolarHBondContact O-N 3.02Å; V155-F160 HydrophobicContact CG1-CE2 3.65Å; V155-F160 HydrophobicContact CG1-CZ 3.85Å
156K94.5Very high94.2Very high107 Ų10770.9 Ų70.947%0.46537%0.374SS..  trans-114.4158.6179.7-58.5178.7-179.1176.10111.2R78 Q154 T158 D159 F160R78-K156 PolarHBondContact NH1-O 3.31Å; Q154-K156 HydrophobicContact CG-CD 4.43Å; Q154-K156 HydrophobicContact CG-CG 3.84Å; Q154-K156 PolarHBondContact O-N 2.91Å; K156-T158 VanDerWaalsContact C-N 3.34Å; K156-T158 PolarHBondContact O-N 2.75Å; K156-D159 WeakPolarHBondContact CB-OD2 3.23Å; K156-D159 PolarHBondContact N-OD2 2.68Å; K156-D159 PolarHBondContact O-N 2.8Å; K156-F160 WeakPolarHBondContact O-CD2 3.12Å; K156-F160 WeakPolarHBondContact O-CE2 3.37Å
157K91.9Very high94.1Very high123 Ų12368 Ų6854%0.53536%0.357SS..G310 helixtrans-63.6-40.3177.7-172.2179.1175.2-174.70112.9D159 F160K157-D159 PolarHBondContact O-N 3.16Å; K157-D159 VanDerWaalsContact O-N 3.12Å; K157-F160 PolarHBondContact O-N 3.12Å; K157-F160 VanDerWaalsContact O-N 3.16Å
158T92.4Very high93.8Very high52 Ų5267.2 Ų67.232%0.31934%0.342SS..G310 helixtrans-61.1-21.2-177.351.50000113.9K156 F160 D164 A165K156-T158 VanDerWaalsContact C-N 3.34Å; K156-T158 PolarHBondContact O-N 2.75Å; T158-F160 VanDerWaalsContact C-N 3.25Å; T158-F160 PolarHBondContact O-N 3Å; T158-D164 HydrophobicContact CG2-CB 4.46Å; T158-A165 PolarHBondContact O-N 3.07Å
159D93.3Very high93.6Very high74 Ų7468.2 Ų68.240%0.39635%0.345SS..G310 helixtrans-77.8-13.7-177.9-54.3-32.8000112.3K156 K157K156-D159 WeakPolarHBondContact CB-OD2 3.23Å; K156-D159 PolarHBondContact N-OD2 2.68Å; K156-D159 PolarHBondContact O-N 2.8Å; K157-D159 PolarHBondContact O-N 3.16Å; K157-D159 VanDerWaalsContact O-N 3.12Å
160F92.6Very high93Very high69 Ų6968.7 Ų68.730%0.30335%0.35SS..THydrogen-bonded Turntrans-108.3-16.9-176.2-58.6-85000113.2R78 P79 V155 K156 K157 T158R78-F160 HydrophobicContact CB-CD1 3.97Å; R78-F160 HydrophobicContact CB-CD2 4.13Å; R78-F160 HydrophobicContact CB-CE1 3.53Å; R78-F160 HydrophobicContact CB-CE2 3.72Å; R78-F160 HydrophobicContact CB-CG 4.25Å; R78-F160 HydrophobicContact CB-CZ 3.41Å; R78-F160 VanDerWaalsContact CB-CZ 3.41Å; R78-F160 VanDerWaalsContact CD-CD2 3.49Å; R78-F160 HydrophobicContact CG-CD2 4.28Å; R78-F160 HydrophobicContact CG-CE2 4.23Å; R78-F160 HydrophobicContact CG-CG 4.46Å; R78-F160 HydrophobicContact CG-CZ 4.38Å; P79-F160 WeakPolarHBondContact O-CE1 2.88Å; V155-F160 HydrophobicContact CG1-CE2 3.65Å; V155-F160 HydrophobicContact CG1-CZ 3.85Å; K156-F160 WeakPolarHBondContact O-CD2 3.12Å; K156-F160 WeakPolarHBondContact O-CE2 3.37Å; K157-F160 PolarHBondContact O-N 3.12Å; K157-F160 VanDerWaalsContact O-N 3.16Å; T158-F160 VanDerWaalsContact C-N 3.25Å; T158-F160 PolarHBondContact O-N 3Å
161E91.5Very high92.1Very high98 Ų9875 Ų7546%0.45838%0.379SS..SBendtrans-85.6110.4170.2-64-60.2158.100108.4F163 D164 A165E161-F163 VanDerWaalsContact C-N 3.27Å; E161-F163 PolarHBondContact O-N 3.25Å; E161-F163 VanDerWaalsContact O-N 3.15Å; E161-D164 HydrophobicContact CB-CB 3.91Å; E161-D164 PolarHBondContact O-N 2.92Å; E161-A165 PolarHBondContact O-N 2.9Å
162V91.8Very high91.1Very high99 Ų9982.1 Ų82.160%0.641%0.41SS*.Hα-helixtrans-52.6-43.9-169.7176.40000112.5L166V162-L166 HydrophobicContact CG1-CD1 4.1Å; V162-L166 WeakPolarHBondContact O-CB 3.45Å; V162-L166 VanDerWaalsContact O-CG 3.25Å; V162-L166 WeakPolarHBondContact O-CG 3.42Å; V162-L166 PolarHBondContact O-N 2.99Å
163F91.8Very high89.5Confident172 Ų17284 Ų8475%0.75443%0.425SS*.Hα-helixtrans-72.9-34-179.4-63.6-62.1000113E161 M167E161-F163 VanDerWaalsContact C-N 3.27Å; E161-F163 PolarHBondContact O-N 3.25Å; E161-F163 VanDerWaalsContact O-N 3.15Å; F163-M167 VanDerWaalsContact O-CB 3.28Å; F163-M167 WeakPolarHBondContact O-CB 3.34Å; F163-M167 PolarHBondContact O-N 3.15Å
164D92.7Very high87.6Confident62 Ų6287.1 Ų87.133%0.33245%0.451SS..Hα-helixtrans-70.2-42.2176.5-68.1-18.3000110.6T158 E161 M167 V168T158-D164 HydrophobicContact CG2-CB 4.46Å; E161-D164 HydrophobicContact CB-CB 3.91Å; E161-D164 PolarHBondContact O-N 2.92Å; D164-M167 PolarHBondContact O-N 3.43Å; D164-V168 WeakPolarHBondContact O-CG2 3.48Å; D164-V168 PolarHBondContact O-N 3.11Å
165A93Very high85.7Confident22 Ų2289.5 Ų89.518%0.18247%0.466CS..Hα-helixtrans-58.3-49.6174.900000110.8T158 E161 M167 V168 D169T158-A165 PolarHBondContact O-N 3.07Å; E161-A165 PolarHBondContact O-N 2.9Å; A165-M167 VanDerWaalsContact C-N 3.33Å; A165-M167 PolarHBondContact O-N 3.18Å; A165-V168 PolarHBondContact O-N 3.27Å; A165-D169 WeakPolarHBondContact O-CB 3.47Å; A165-D169 PolarHBondContact O-N 3.21Å
166L91.1Very high83.7Confident106 Ų10691.5 Ų91.556%0.55548%0.478SS*.Hα-helixtrans-61.6-39.3176.4-72.1173000112.6V162 S170V162-L166 HydrophobicContact CG1-CD1 4.1Å; V162-L166 WeakPolarHBondContact O-CB 3.45Å; V162-L166 VanDerWaalsContact O-CG 3.25Å; V162-L166 WeakPolarHBondContact O-CG 3.42Å; V162-L166 PolarHBondContact O-N 2.99Å; L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.49Å
167M89.1Confident81.6Confident98 Ų9891.5 Ų91.548%0.48349%0.492SS..Hα-helixtrans-64.1-46.8177.2179.4177.45900111.3F163 D164 A165 D169 S170 Q171F163-M167 VanDerWaalsContact O-CB 3.28Å; F163-M167 WeakPolarHBondContact O-CB 3.34Å; F163-M167 PolarHBondContact O-N 3.15Å; D164-M167 PolarHBondContact O-N 3.43Å; A165-M167 VanDerWaalsContact C-N 3.33Å; A165-M167 PolarHBondContact O-N 3.18Å; M167-D169 VanDerWaalsContact C-N 3.35Å; M167-S170 PolarHBondContact O-N 3.49Å; M167-S170 PolarHBondContact O-OG 3.27Å; M167-Q171 PolarHBondContact O-N 3.36Å
168V87.9Confident79.7Confident39 Ų3989.4 Ų89.424%0.23648%0.484CS..Hα-helixtrans-64.6-40.4178.7171.70000111.2D164 A165 S170 Q171 K172D164-V168 WeakPolarHBondContact O-CG2 3.48Å; D164-V168 PolarHBondContact O-N 3.11Å; A165-V168 PolarHBondContact O-N 3.27Å; V168-S170 VanDerWaalsContact C-N 3.35Å; V168-Q171 PolarHBondContact O-N 3.05Å; V168-K172 HydrophobicContact CG1-CD 4.38Å; V168-K172 PolarHBondContact O-N 3.25Å; V168-K172 VanDerWaalsContact O-N 3.17Å
169D87.7Confident77.8Confident87 Ų8792 Ų9247%0.46550%0.495SS..Hα-helixtrans-66.8-37.5178.8-75-11.4000112.1A165 M167 Q171 K172 C173A165-D169 WeakPolarHBondContact O-CB 3.47Å; A165-D169 PolarHBondContact O-N 3.21Å; M167-D169 VanDerWaalsContact C-N 3.35Å; D169-Q171 VanDerWaalsContact C-N 3.25Å; D169-Q171 PolarHBondContact O-N 3.48Å; D169-K172 PolarHBondContact O-N 3.26Å; D169-C173 PolarHBondContact O-N 3.39Å
170S84.3Confident75.7Confident50 Ų5091.8 Ų91.835%0.3550%0.5SS..Hα-helixtrans-59.5-37.8173.477.70000111.7L166 M167 V168 C173 V176L166-S170 WeakPolarHBondContact O-CB 3.3Å; L166-S170 PolarHBondContact O-N 3.49Å; M167-S170 PolarHBondContact O-N 3.49Å; M167-S170 PolarHBondContact O-OG 3.27Å; V168-S170 VanDerWaalsContact C-N 3.35Å; S170-C173 VanDerWaalsContact O-O 3.11Å; S170-V176 WeakPolarHBondContact O-CG2 3.28Å
171Q80.2Confident74Confident146 Ų14692.5 Ų92.568%0.68251%0.513SS*.Hα-helixtrans-74.6-32.1179.8-66.81765.600113.3M167 V168 D169M167-Q171 PolarHBondContact O-N 3.36Å; V168-Q171 PolarHBondContact O-N 3.05Å; D169-Q171 VanDerWaalsContact C-N 3.25Å; D169-Q171 PolarHBondContact O-N 3.48Å
172K77.1Confident72.6Confident150 Ų15093.4 Ų93.465%0.65253%0.53SS*.Hα-helixtrans-73.5-35.5178-71.1176-173.6162.90112.2V168 D169 S174V168-K172 HydrophobicContact CG1-CD 4.38Å; V168-K172 PolarHBondContact O-N 3.25Å; V168-K172 VanDerWaalsContact O-N 3.17Å; D169-K172 PolarHBondContact O-N 3.26Å; K172-S174 VanDerWaalsContact C-N 3.33Å; K172-S174 PolarHBondContact O-N 3.25Å
173C65.6Low71.3Confident74 Ų7492.7 Ų92.750%0.553%0.528SS..  trans-75.787.6169.6-76.40000108.6D169 S170 D175 V176D169-C173 PolarHBondContact O-N 3.39Å; S170-C173 VanDerWaalsContact O-O 3.11Å; C173-D175 PolarHBondContact O-N 3.24Å; C173-V176 HydrophobicContact CB-CG1 4Å; C173-V176 WeakPolarHBondContact O-CG2 3.35Å; C173-V176 PolarHBondContact O-N 3.22Å
174S57.9Low69.7Low108 Ų10889.1 Ų89.176%0.75552%0.522SS*.G310 helixtrans-55.2-9.1176560000114.3K172K172-S174 VanDerWaalsContact C-N 3.33Å; K172-S174 PolarHBondContact O-N 3.25Å
175D55.8Low68.1Low139 Ų13987.1 Ų87.174%0.74352%0.516SS*.G310 helixtrans-83.1-3.7177.7-1419.1000114.4C173C173-D175 PolarHBondContact O-N 3.24Å
176V55.3Low66.5Low46 Ų4689.4 Ų89.428%0.27953%0.529SS..G310 helixtrans-99.43.4180-48.40000114.5S170 C173 E178 L179S170-V176 WeakPolarHBondContact O-CG2 3.28Å; C173-V176 HydrophobicContact CB-CG1 4Å; C173-V176 WeakPolarHBondContact O-CG2 3.35Å; C173-V176 PolarHBondContact O-N 3.22Å; V176-E178 PolarHBondContact O-N 3.32Å; V176-L179 HydrophobicContact CB-CB 4.48Å; V176-L179 HydrophobicContact CB-CD1 3.91Å; V176-L179 HydrophobicContact CB-CG 4.2Å; V176-L179 HydrophobicContact CG1-CD1 3.89Å; V176-L179 PolarHBondContact O-N 3.32Å
177S51.3Low65.1Low107 Ų10790.5 Ų90.575%0.74853%0.527SS*.THydrogen-bonded Turntrans-60.1-13.7170.1-72.10000112.4
178E50.5Low64.1Low80 Ų8092 Ų9237%0.37453%0.532SS..THydrogen-bonded Turntrans-92.54.6172.9-58.3-162.5169.100114.4V176 G185 P186V176-E178 PolarHBondContact O-N 3.32Å; E178-G185 CarbonylContact C-O 3.55Å; E178-G185 CarbonylContact O-C 3.32Å; E178-G185 VanDerWaalsContact O-CA 3.3Å; E178-G185 WeakPolarHBondContact O-CA 3.25Å; E178-G185 PolarHBondContact O-N 3.22Å; E178-P186 HydrophobicContact CB-CB 4.38Å; E178-P186 VanDerWaalsContact CD-CB 3.45Å; E178-P186 HydrophobicContact CG-CB 3.82Å; E178-P186 HydrophobicContact CG-CG 4.43Å; E178-P186 WeakPolarHBondContact OE1-CB 3.47Å; E178-P186 VanDerWaalsContact OE2-CD 3.27Å; E178-P186 WeakPolarHBondContact OE2-CD 3.5Å; E178-P186 WeakPolarHBondContact OE2-CG 3.43Å
179L52.7Low63.5Low105 Ų10599.8 Ų99.855%0.5557%0.566SS.*  trans-104.529.5-178.4-54.9-178.2000112.9V176 S181 P184V176-L179 HydrophobicContact CB-CB 4.48Å; V176-L179 HydrophobicContact CB-CD1 3.91Å; V176-L179 HydrophobicContact CB-CG 4.2Å; V176-L179 HydrophobicContact CG1-CD1 3.89Å; V176-L179 PolarHBondContact O-N 3.32Å; L179-S181 PolarHBondContact O-N 3.2Å; L179-S181 VanDerWaalsContact O-N 3.11Å; L179-P184 HydrophobicContact CD2-CB 3.71Å
180S50.5Low62.9Low71 Ų71103 Ų10350%0.49758%0.578SS.*SBendtrans-76.597.1175.9-167.30000111.2Y187S180-Y187 WeakPolarHBondContact O-CD2 2.99Å; S180-Y187 WeakPolarHBondContact O-CE2 3.18Å
181S57.3Low62.5Low84 Ų84105.4 Ų105.459%0.58759%0.593SS**SBendtrans60.3134.6168.769.10000117.1L179 P183 Y187L179-S181 PolarHBondContact O-N 3.2Å; L179-S181 VanDerWaalsContact O-N 3.11Å; S181-P183 CarbonylContact O-C 3.56Å; S181-P183 VanDerWaalsContact O-C 3.32Å; S181-Y187 WeakPolarHBondContact O-CE2 3.39Å; S181-Y187 PolarHBondContact O-OH 3.45Å
182S61Low62.2Low116 Ų116106.8 Ų106.881%0.81159%0.593SS**SBendtrans-47.2124.6-176.6-175.50000113
183P64.3Low62Low84 Ų84104.8 Ų104.855%0.54559%0.593SS.*SBendcis-81.6143.35.6-8.626.3000112.7S181 G185 Y187S181-P183 CarbonylContact O-C 3.56Å; S181-P183 VanDerWaalsContact O-C 3.32Å; P183-G185 PolarHBondContact O-N 3.47Å; P183-Y187 VanDerWaalsContact CD-OH 3.31Å; P183-Y187 WeakPolarHBondContact CD-OH 3.31Å; P183-Y187 WeakPolarHBondContact O-CE2 3.43Å
184P57.8Low62.2Low97 Ų97104.9 Ų104.963%0.6359%0.594SS**PPolyproline II helixtrans-50.5126.1164.4-24.935.3000111.2L179L179-P184 HydrophobicContact CD2-CB 3.71Å
185G60.2Low62.7Low21 Ų21106.1 Ų106.122%0.21659%0.585CS.*SBendtrans164.6159.2179.100000112.3E178 P183 Y187E178-G185 CarbonylContact C-O 3.55Å; E178-G185 CarbonylContact O-C 3.32Å; E178-G185 VanDerWaalsContact O-CA 3.3Å; E178-G185 WeakPolarHBondContact O-CA 3.25Å; E178-G185 PolarHBondContact O-N 3.22Å; P183-G185 PolarHBondContact O-N 3.47Å; G185-Y187 WeakPolarHBondContact O-CD2 3.17Å; G185-Y187 PolarHBondContact O-N 3.1Å
186P58.1Low63.2Low69 Ų69103.8 Ų103.845%0.44858%0.578SS.*  trans-61.2105.5-178.213.2-18.8000111.3E178 H188E178-P186 HydrophobicContact CB-CB 4.38Å; E178-P186 VanDerWaalsContact CD-CB 3.45Å; E178-P186 HydrophobicContact CG-CB 3.82Å; E178-P186 HydrophobicContact CG-CG 4.43Å; E178-P186 WeakPolarHBondContact OE1-CB 3.47Å; E178-P186 VanDerWaalsContact OE2-CD 3.27Å; E178-P186 WeakPolarHBondContact OE2-CD 3.5Å; E178-P186 WeakPolarHBondContact OE2-CG 3.43Å; P186-H188 WeakPolarHBondContact CB-NE2 3.32Å; P186-H188 PolarHBondContact O-N 3.48Å
187Y61.8Low63.7Low129 Ų129109.8 Ų109.851%0.50660%0.603SS.*  trans-86.991.1164.2-74.8-91.3000107.8S180 S181 P183 G185S180-Y187 WeakPolarHBondContact O-CD2 2.99Å; S180-Y187 WeakPolarHBondContact O-CE2 3.18Å; S181-Y187 WeakPolarHBondContact O-CE2 3.39Å; S181-Y187 PolarHBondContact O-OH 3.45Å; P183-Y187 VanDerWaalsContact CD-OH 3.31Å; P183-Y187 WeakPolarHBondContact CD-OH 3.31Å; P183-Y187 WeakPolarHBondContact O-CE2 3.43Å; G185-Y187 WeakPolarHBondContact O-CD2 3.17Å; G185-Y187 PolarHBondContact O-N 3.1Å
188H69.3Low64.2Low131 Ų131110.1 Ų110.161%0.60659%0.593SS**  trans-93142.7171.9-58.1-44.8000110.4P186 E190P186-H188 WeakPolarHBondContact CB-NE2 3.32Å; P186-H188 PolarHBondContact O-N 3.48Å; H188-E190 VanDerWaalsContact C-N 3.3Å; H188-E190 HydrophobicContact CB-CB 4.47Å
189Q76Confident64.6Low202 Ų202115.4 Ų115.494%0.94461%0.609SS**  trans-90.7-0.3171.1-65.4-178.3-15.700112.2
190E74Confident65.3Low154 Ų154119.2 Ų119.272%0.7262%0.622SS**SBendtrans-62.7143.7176.8-71.9-65.1156.700110.5H188 Y192H188-E190 VanDerWaalsContact C-N 3.3Å; H188-E190 HydrophobicContact CB-CB 4.47Å; E190-Y192 PolarHBondContact O-N 3.31Å
191P76.5Confident66.7Low101 Ų101127 Ų12766%0.65664%0.64SS**  trans-49.3134173.4-25.834.2000110.7V193P191-V193 PolarHBondContact O-N 2.92Å
192Y73.1Confident68.1Low175 Ų175127.2 Ų127.269%0.68665%0.647SS**  trans-57.8111.3-179.6178.5-101.7000110.6E190 C194E190-Y192 PolarHBondContact O-N 3.31Å; Y192-C194 HydrophobicContact CD1-CB 4.47Å; Y192-C194 HydrophobicContact CE1-CB 3.66Å; Y192-C194 PolarHBondContact OH-SG 3.27Å
193V73.5Confident69.4Low108 Ų108127.1 Ų127.166%0.65564%0.644SS**  trans-103.1110170.4-177.50000107.4P191 K195P191-V193 PolarHBondContact O-N 2.92Å; V193-K195 PolarHBondContact O-N 3.07Å
194C68.7Low70.8Confident76 Ų76129.1 Ų129.151%0.51466%0.657SS.*  trans-65.8100.9-179.6-155.70000109.9Y192Y192-C194 HydrophobicContact CD1-CB 4.47Å; Y192-C194 HydrophobicContact CE1-CB 3.66Å; Y192-C194 PolarHBondContact OH-SG 3.27Å
195K68.2Low72.7Confident133 Ų133132.2 Ų132.258%0.57867%0.666SS**  trans-79.8133.2178.2-68.7179.2-176.4171.80109.6V193 E197 E198V193-K195 PolarHBondContact O-N 3.07Å; K195-E197 PolarHBondContact O-N 3.19Å; K195-E197 VanDerWaalsContact O-N 3.15Å; K195-E198 PolarHBondContact O-N 3.32Å
196P66.9Low74.4Confident91 Ų91136 Ų13659%0.59168%0.681SS**G310 helixtrans-62.4-21.4-18021.6-30.5000113.8E198 R199P196-E198 PolarHBondContact O-N 3.12Å; P196-R199 WeakPolarHBondContact O-CB 3.26Å; P196-R199 WeakPolarHBondContact O-CG 3.48Å; P196-R199 PolarHBondContact O-N 3.36Å
197E65.1Low76.2Confident171 Ų171135.9 Ų135.980%0.79968%0.68SS**G310 helixtrans-74.7-20.1-177.9-57.4-156.4166.300114.5K195 R199K195-E197 PolarHBondContact O-N 3.19Å; K195-E197 VanDerWaalsContact O-N 3.15Å; E197-R199 PolarHBondContact O-N 3.16Å
198E62.4Low77.9Confident114 Ų114134 Ų13453%0.53368%0.684SS.*G310 helixtrans-72.5-11.8177.1-72172.8-171.600112.8K195 P196 F200K195-E198 PolarHBondContact O-N 3.32Å; P196-E198 PolarHBondContact O-N 3.12Å; E198-F200 PolarHBondContact O-N 3.46Å; E198-F200 VanDerWaalsContact O-N 3.15Å
199R60.2Low79.2Confident191 Ų191132 Ų13272%0.72168%0.675SS**G310 helixtrans-72.1-7-170.9-66.9-172.2-175.1-179.13.8115.4P196 E197P196-R199 WeakPolarHBondContact O-CB 3.26Å; P196-R199 WeakPolarHBondContact O-CG 3.48Å; P196-R199 PolarHBondContact O-N 3.36Å; E197-R199 PolarHBondContact O-N 3.16Å
200F66.3Low80.2Confident185 Ų185123.9 Ų123.981%0.81164%0.638SS**G310 helixtrans-98.73.9-171.6-64.2-72.3000115.3E198E198-F200 PolarHBondContact O-N 3.46Å; E198-F200 VanDerWaalsContact O-N 3.15Å
201R79.2Confident81.2Confident235 Ų235122.3 Ų122.389%0.88763%0.633SS**PPolyproline II helixtrans-93.2120.9175.1-63.1-168.4-176.6-145.43.3110.1
202A86.7Confident82Confident88 Ų88122.5 Ų122.573%0.72763%0.625SS**PPolyproline II helixtrans-63.7142.1168.900000109.4
203P90.2Very high83Confident115 Ų115115.5 Ų115.575%0.74760%0.601SS**PPolyproline II helixtrans-56.1143.7173.4-24.433.8000111.2
204P93Very high84Confident126 Ų126110.6 Ų110.682%0.81857%0.571SS**PPolyproline II helixtrans-62.2142.517726.3-33.5000110.7L206P204-L206 PolarHBondContact O-N 3.19Å
205I96.6Very high85.3Confident161 Ų161110.1 Ų110.183%0.82656%0.563SS**PPolyproline II helixtrans-65.2134.8175.7-60172.6000108.7P207I205-P207 WeakPolarHBondContact O-CD 3.49Å
206L96.4Very high86.6Confident101 Ų101109.4 Ų109.453%0.52957%0.565SS.*PPolyproline II helixtrans-58.1121.5179.3179.366.7000110.8P204 L210 L211P204-L206 PolarHBondContact O-N 3.19Å; L206-L210 HydrophobicContact CD1-CB 4.35Å; L206-L210 HydrophobicContact CD1-CD1 3.95Å; L206-L211 HydrophobicContact CD2-CD2 3.66Å; L206-L211 HydrophobicContact CD2-CG 4.21Å
207P97.2Very high87.8Confident67 Ų67109.6 Ų109.644%0.43556%0.557SS.*PPolyproline II helixtrans-61.1128.2175.4-2535.4000110.9I205 H209 L210I205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-H209 PolarHBondContact O-N 2.78Å; P207-L210 PolarHBondContact O-N 2.69Å; P207-L210 VanDerWaalsContact O-N 3.07Å
208P97.2Very high89.2Confident89 Ų89109.4 Ų109.458%0.57856%0.561SS**G310 helixtrans-62.8-20.5-175.224.5-34.7000113.2L210 L211P208-L210 PolarHBondContact O-N 3.02Å; P208-L211 WeakPolarHBondContact O-CB 3.32Å; P208-L211 PolarHBondContact O-N 3.5Å; P208-L211 VanDerWaalsContact O-N 3.16Å
209H96.3Very high90.6Very high89 Ų89106.6 Ų106.641%0.41255%0.552SS.*G310 helixtrans-57.6-34.6174.6-58.893.3000113.1P207 L211 Q212 V234P207-H209 PolarHBondContact O-N 2.78Å; H209-L211 PolarHBondContact O-N 3.37Å; H209-Q212 PolarHBondContact O-N 2.97Å; H209-V234 HydrophobicContact CB-CG2 3.6Å
210L96.2Very high92Very high32 Ų3299.8 Ų99.817%0.16854%0.541CS..G310 helixtrans-72.8-16.9-178.4-61.3-176.2000112.8L206 P207 P208 Q212 M235 H238 Y240L206-L210 HydrophobicContact CD1-CB 4.35Å; L206-L210 HydrophobicContact CD1-CD1 3.95Å; P207-L210 PolarHBondContact O-N 2.69Å; P207-L210 VanDerWaalsContact O-N 3.07Å; P208-L210 PolarHBondContact O-N 3.02Å; L210-Q212 VanDerWaalsContact C-N 3.29Å; L210-M235 HydrophobicContact CD2-CB 4.45Å; L210-H238 HydrophobicContact CD2-CB 4.44Å; L210-Y240 VanDerWaalsContact O-CE1 3.32Å; L210-Y240 WeakPolarHBondContact O-CE1 3.48Å; L210-Y240 PolarHBondContact O-OH 3.42Å
211L95.8Very high93.3Very high120 Ų12099.8 Ų99.863%0.62855%0.548SS*.G310 helixtrans-77.7-14.8176.6-59.2175.4000112.6L206 P208 H209 V213L206-L211 HydrophobicContact CD2-CD2 3.66Å; L206-L211 HydrophobicContact CD2-CG 4.21Å; P208-L211 WeakPolarHBondContact O-CB 3.32Å; P208-L211 PolarHBondContact O-N 3.5Å; P208-L211 VanDerWaalsContact O-N 3.16Å; H209-L211 PolarHBondContact O-N 3.37Å; L211-V213 VanDerWaalsContact C-N 3.32Å; L211-V213 PolarHBondContact O-N 3.07Å
212Q93Very high94Very high105 Ų10594.4 Ų94.449%0.49155%0.546SS..  trans-84.869.2-179-61.2-175.27.700111.8H209 L210 I214 M235H209-Q212 PolarHBondContact O-N 2.97Å; L210-Q212 VanDerWaalsContact C-N 3.29Å; Q212-I214 PolarHBondContact O-N 3.31Å; Q212-M235 WeakPolarHBondContact O-CE 3.06Å
213V93.9Very high94.4Very high29 Ų2992.9 Ų92.918%0.17653%0.529CS..  trans-62.8120.2-176.5-170.80000111.4L211 L215 N216 Y240L211-V213 VanDerWaalsContact C-N 3.32Å; L211-V213 PolarHBondContact O-N 3.07Å; V213-L215 VanDerWaalsContact C-N 3.29Å; V213-L215 HydrophobicContact CG1-CB 4.39Å; V213-L215 PolarHBondContact O-N 3.11Å; V213-N216 HydrophobicContact CB-CB 4.04Å; V213-N216 HydrophobicContact CG1-CB 4.45Å; V213-N216 PolarHBondContact O-N 3.37Å; V213-N216 VanDerWaalsContact O-N 3.08Å; V213-Y240 HydrophobicContact CB-CD1 4.39Å; V213-Y240 HydrophobicContact CB-CE1 4.34Å; V213-Y240 HydrophobicContact CG1-CD1 3.94Å; V213-Y240 HydrophobicContact CG1-CE1 4.31Å; V213-Y240 HydrophobicContact CG1-CG 4.32Å; V213-Y240 HydrophobicContact CG2-CD1 3.8Å; V213-Y240 HydrophobicContact CG2-CE1 3.7Å
214I95Very high94.6Very high5 Ų591.7 Ų91.73%0.02652%0.517CS..G310 helixtrans-61.4-35.8-177.7-171.8167.5000113Q212 N216 K217 L228 P229 P231 M235 T263Q212-I214 PolarHBondContact O-N 3.31Å; I214-N216 VanDerWaalsContact C-N 3.25Å; I214-N216 PolarHBondContact O-N 3.23Å; I214-K217 PolarHBondContact O-N 2.81Å; I214-L228 HydrophobicContact CD1-CB 3.96Å; I214-L228 HydrophobicContact CD1-CD1 4.41Å; I214-L228 HydrophobicContact CG1-CB 4.25Å; I214-P229 WeakPolarHBondContact CD1-O 3.39Å; I214-P231 HydrophobicContact CD1-CB 3.98Å; I214-M235 HydrophobicContact CB-CE 4.21Å; I214-M235 HydrophobicContact CG2-CE 4.48Å; I214-T263 HydrophobicContact CG2-CG2 4.48Å
215L95.7Very high94.7Very high66 Ų6691.3 Ų91.335%0.34651%0.514SS..G310 helixtrans-75.8-12178.9-64.2-179.8000113.5V213 L228 S252 T263 L265V213-L215 VanDerWaalsContact C-N 3.29Å; V213-L215 HydrophobicContact CG1-CB 4.39Å; V213-L215 PolarHBondContact O-N 3.11Å; L215-L228 HydrophobicContact CD2-CD1 3.83Å; L215-L228 HydrophobicContact CD2-CD2 4.05Å; L215-S252 VanDerWaalsContact CD1-OG 3.28Å; L215-S252 WeakPolarHBondContact CD1-OG 3.28Å; L215-T263 HydrophobicContact CD1-CG2 4.01Å; L215-T263 HydrophobicContact CD2-CG2 3.89Å; L215-T263 HydrophobicContact CG-CG2 4.02Å; L215-L265 HydrophobicContact CD1-CD1 3.97Å; L215-L265 HydrophobicContact CD1-CD2 4.22Å; L215-L265 HydrophobicContact CD1-CG 4.14Å; L215-L265 HydrophobicContact CD2-CD1 4.41Å
216N94.8Very high94.7Very high117 Ų11787.6 Ų87.663%0.62651%0.508SS*.G310 helixtrans-93.21174.5-65.6-4.2000112V213 I214V213-N216 HydrophobicContact CB-CB 4.04Å; V213-N216 HydrophobicContact CG1-CB 4.45Å; V213-N216 PolarHBondContact O-N 3.37Å; V213-N216 VanDerWaalsContact O-N 3.08Å; I214-N216 VanDerWaalsContact C-N 3.25Å; I214-N216 PolarHBondContact O-N 3.23Å
217K93.3Very high94.7Very high96 Ų9687.8 Ų87.842%0.41751%0.509SS..SBendtrans-90.7127.3176.4-64-174.2179.4-178.20109.1I214 P229I214-K217 PolarHBondContact O-N 2.81Å; K217-P229 HydrophobicContact CD-CG 4.47Å
218D93.1Very high94.6Very high166 Ų16687.9 Ų87.989%0.88851%0.505SS*.PPolyproline II helixtrans-68.3136.7171.9-62.3-45.1000110.3
219T92.5Very high94.6Very high56 Ų5685.9 Ų85.934%0.34449%0.492SS..PPolyproline II helixtrans-101.4152.3171.2540000109.9P229T219-P229 HydrophobicContact CG2-CG 4.38Å
220G91.1Very high94.5Very high47 Ų4788.8 Ų88.849%0.48551%0.506SS..PPolyproline II helixtrans-63.4138.3-177.600000111.8S222 C223G220-S222 PolarHBondContact O-N 3.21Å; G220-C223 PolarHBondContact O-N 3.26Å; G220-C223 PolarHBondContact O-SG 3.05Å
221I93Very high94.6Very high186 Ų18687.8 Ų87.895%0.95450%0.501SS*.THydrogen-bonded Turntrans-60-12.7-177.860167.4000114.8
222S94.4Very high94.6Very high122 Ų12285 Ų8585%0.85349%0.487SS*.THydrogen-bonded Turntrans-90.8-9179.555.20000114.3G220G220-S222 PolarHBondContact O-N 3.21Å
223C93.2Very high94.8Very high55 Ų5586 Ų8637%0.37249%0.492SS..SBendtrans-100.6161.5-179.4730000112.4G220G220-C223 PolarHBondContact O-N 3.26Å; G220-C223 PolarHBondContact O-SG 3.05Å
224D95.7Very high94.9Very high90 Ų9087.1 Ų87.148%0.48150%0.499SS..  trans-60.2127.3175.4178.8-24.9000110.1A226 L227D224-A226 PolarHBondContact O-N 2.87Å; D224-A226 VanDerWaalsContact O-N 3.14Å; D224-A226 WeakPolarHBondContact OD1-CB 3.38Å; D224-A226 PolarHBondContact OD1-N 2.83Å; D224-L227 HydrophobicContact CB-CD1 3.86Å; D224-L227 HydrophobicContact CB-CG 3.92Å; D224-L227 WeakPolarHBondContact O-CB 3.46Å; D224-L227 PolarHBondContact O-N 2.92Å
225P95.4Very high95Very high118 Ų11887.2 Ų87.277%0.76650%0.499SS*.THydrogen-bonded Turntrans-64.3-16-176.927.3-36.8000114.3L227P225-L227 VanDerWaalsContact C-N 3.31Å
226A96Very high95Very high84 Ų8484.8 Ų84.869%0.69449%0.486SS*.THydrogen-bonded Turntrans-80.8-11.9173.600000113D224D224-A226 PolarHBondContact O-N 2.87Å; D224-A226 VanDerWaalsContact O-N 3.14Å; D224-A226 WeakPolarHBondContact OD1-CB 3.38Å; D224-A226 PolarHBondContact OD1-N 2.83Å
227L96.1Very high95.2Very high104 Ų10484.9 Ų84.955%0.54549%0.487SS..  trans-82.8136.1177.4-62.5176.4000110.8D224 P225D224-L227 HydrophobicContact CB-CD1 3.86Å; D224-L227 HydrophobicContact CB-CG 3.92Å; D224-L227 WeakPolarHBondContact O-CB 3.46Å; D224-L227 PolarHBondContact O-N 2.92Å; P225-L227 VanDerWaalsContact C-N 3.31Å
228L96.2Very high95.4Very high69 Ų6984.1 Ų84.136%0.36148%0.484SS..  trans-118.1155.6175.4-65174.1000110.1I214 L215 T263I214-L228 HydrophobicContact CD1-CB 3.96Å; I214-L228 HydrophobicContact CD1-CD1 4.41Å; I214-L228 HydrophobicContact CG1-CB 4.25Å; L215-L228 HydrophobicContact CD2-CD1 3.83Å; L215-L228 HydrophobicContact CD2-CD2 4.05Å; L228-T263 HydrophobicContact CD1-CG2 4.23Å; L228-T263 WeakPolarHBondContact CD1-OG1 3.4Å
229P95.4Very high95.6Very high48 Ų4881.9 Ų81.931%0.31247%0.472SS..PPolyproline II helixtrans-57.4159.2171.3-22.433.6000112.2I214 K217 T219 P231I214-P229 WeakPolarHBondContact CD1-O 3.39Å; K217-P229 HydrophobicContact CD-CG 4.47Å; T219-P229 HydrophobicContact CG2-CG 4.38Å; P229-P231 WeakPolarHBondContact O-CD 3.47Å
230E95.9Very high95.9Very high149 Ų14980.8 Ų80.870%0.69646%0.462SS*.PPolyproline II helixtrans-64.2123.7173-174.4170.9-173.800110.6Y261E230-Y261 HydrophobicContact CG-CD2 4.33Å; E230-Y261 HydrophobicContact CG-CE2 3.81Å; E230-Y261 PolarHBondContact OE1-OH 3.06Å
231P96.7Very high96.2Very high11 Ų1181.9 Ų81.97%0.07147%0.466CS..PPolyproline II helixtrans-75.1152.8178.131.1-35.7000111.4I214 P229 M235 L236 T254 Y261I214-P231 HydrophobicContact CD1-CB 3.98Å; P229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-M235 HydrophobicContact CB-CG 4.17Å; P231-M235 HydrophobicContact CB-SD 3.88Å; P231-L236 HydrophobicContact CB-CD2 4.03Å; P231-L236 HydrophobicContact CG-CD2 3.78Å; P231-T254 HydrophobicContact CB-CG2 4.27Å; P231-T254 HydrophobicContact CG-CG2 4.01Å; P231-Y261 HydrophobicContact CG-CD1 3.53Å; P231-Y261 HydrophobicContact CG-CD2 4.12Å; P231-Y261 HydrophobicContact CG-CE1 4.05Å; P231-Y261 HydrophobicContact CG-CG 3.55Å
232N96.6Very high96.3Very high62 Ų6278.1 Ų78.133%0.33245%0.447SS..PPolyproline II helixtrans-69.2141.5166.4-166.8-30.5000109.6V234 M235N232-V234 HydrophobicContact CB-CG2 4.26Å; N232-V234 PolarHBondContact O-N 3.38Å; N232-V234 VanDerWaalsContact O-N 3.12Å; N232-V234 PolarHBondContact OD1-N 3.02Å; N232-M235 HydrophobicContact CB-CG 4.42Å; N232-M235 WeakPolarHBondContact O-CG 3.48Å; N232-M235 PolarHBondContact O-N 2.95Å
233H97Very high96.4Very high125 Ų12578 Ų7858%0.57945%0.446SS*.G310 helixtrans-59-28179.971.6-77.6000113.2M235 L236H233-M235 VanDerWaalsContact C-N 3.34Å; H233-M235 PolarHBondContact O-N 3.15Å; H233-L236 WeakPolarHBondContact O-CB 3.25Å; H233-L236 WeakPolarHBondContact O-CG 3.45Å; H233-L236 PolarHBondContact O-N 3.41Å
234V96.9Very high96.6Very high54 Ų5480 Ų8033%0.32745%0.453SS..G310 helixtrans-75.2-17.1-178.6-53.90000114.5H209 N232 H238H209-V234 HydrophobicContact CB-CG2 3.6Å; N232-V234 HydrophobicContact CB-CG2 4.26Å; N232-V234 PolarHBondContact O-N 3.38Å; N232-V234 VanDerWaalsContact O-N 3.12Å; N232-V234 PolarHBondContact OD1-N 3.02Å; V234-H238 PolarHBondContact O-CD2 2.9Å; V234-H238 PolarHBondContact O-NE2 2.85Å
235M95.9Very high96.6Very high7 Ų782.9 Ų82.93%0.03446%0.461CS..G310 helixtrans-94.2-7.2177.166.4177-36.600112.7L210 Q212 I214 P231 N232 H233 H238 Y240L210-M235 HydrophobicContact CD2-CB 4.45Å; Q212-M235 WeakPolarHBondContact O-CE 3.06Å; I214-M235 HydrophobicContact CB-CE 4.21Å; I214-M235 HydrophobicContact CG2-CE 4.48Å; P231-M235 HydrophobicContact CB-CG 4.17Å; P231-M235 HydrophobicContact CB-SD 3.88Å; N232-M235 HydrophobicContact CB-CG 4.42Å; N232-M235 WeakPolarHBondContact O-CG 3.48Å; N232-M235 PolarHBondContact O-N 2.95Å; H233-M235 VanDerWaalsContact C-N 3.34Å; H233-M235 PolarHBondContact O-N 3.15Å; M235-H238 PolarHBondContact O-N 2.8Å; M235-Y240 HydrophobicContact CE-CE2 4.16Å; M235-Y240 WeakPolarHBondContact CE-OH 3.13Å
236L97Very high96.6Very high14 Ų1484.1 Ų84.17%0.07346%0.461CS..THydrogen-bonded Turntrans-66.3149.2176.4-57.6177.6000110.1P231 H233 H238 T254 R256 Y261P231-L236 HydrophobicContact CB-CD2 4.03Å; P231-L236 HydrophobicContact CG-CD2 3.78Å; H233-L236 WeakPolarHBondContact O-CB 3.25Å; H233-L236 WeakPolarHBondContact O-CG 3.45Å; H233-L236 PolarHBondContact O-N 3.41Å; L236-H238 PolarHBondContact O-CD2 2.89Å; L236-H238 VanDerWaalsContact O-CD2 3.32Å; L236-H238 PolarHBondContact O-N 2.98Å; L236-H238 VanDerWaalsContact O-N 3.1Å; L236-T254 WeakPolarHBondContact CA-O 3.47Å; L236-T254 HydrophobicContact CD2-CG2 3.55Å; L236-R256 HydrophobicContact CD1-CB 4.09Å; L236-Y261 HydrophobicContact CD1-CD1 4.13Å; L236-Y261 HydrophobicContact CD1-CE1 3.87Å; L236-Y261 HydrophobicContact CD2-CD1 4Å; L236-Y261 HydrophobicContact CD2-CE1 4.44Å
237N97.4Very high96.6Very high120 Ų12082.1 Ų82.164%0.64245%0.448SS*.THydrogen-bonded Turntrans62.87.3-178.3-45.7-35.7000114.7T254 H255N237-T254 PolarHBondContact N-O 3.24Å; N237-H255 PolarHBondContact OD1-CD2 3.21Å
238H97.8Very high96.6Very high79 Ų7979.5 Ų79.537%0.36644%0.436SS..  trans-87.3137.3168.8-72.4-91.3000110.9L210 V234 M235 L236 Y240L210-H238 HydrophobicContact CD2-CB 4.44Å; V234-H238 PolarHBondContact O-CD2 2.9Å; V234-H238 PolarHBondContact O-NE2 2.85Å; M235-H238 PolarHBondContact O-N 2.8Å; L236-H238 PolarHBondContact O-CD2 2.89Å; L236-H238 VanDerWaalsContact O-CD2 3.32Å; L236-H238 PolarHBondContact O-N 2.98Å; L236-H238 VanDerWaalsContact O-N 3.1Å; H238-Y240 HydrophobicContact CB-CE2 4.15Å
239L97.9Very high96.7Very high119 Ų11979.1 Ų79.162%0.62343%0.434SS*.EExtended strand (participates in β ladder)trans-82.5124.2176.6-175.370.2000110.2L251L239-L251 HydrophobicContact CD1-CB 4.1Å; L239-L251 HydrophobicContact CD1-CD2 4.41Å; L239-L251 HydrophobicContact CD2-CD2 4.42Å
240Y97.7Very high96.8Very high34 Ų3477.8 Ų77.813%0.13343%0.425CS..EExtended strand (participates in β ladder)trans-107.8143.8167.4-65.9-84.4000109.1L210 V213 M235 H238 S252L210-Y240 VanDerWaalsContact O-CE1 3.32Å; L210-Y240 WeakPolarHBondContact O-CE1 3.48Å; L210-Y240 PolarHBondContact O-OH 3.42Å; V213-Y240 HydrophobicContact CB-CD1 4.39Å; V213-Y240 HydrophobicContact CB-CE1 4.34Å; V213-Y240 HydrophobicContact CG1-CD1 3.94Å; V213-Y240 HydrophobicContact CG1-CE1 4.31Å; V213-Y240 HydrophobicContact CG1-CG 4.32Å; V213-Y240 HydrophobicContact CG2-CD1 3.8Å; V213-Y240 HydrophobicContact CG2-CE1 3.7Å; M235-Y240 HydrophobicContact CE-CE2 4.16Å; M235-Y240 WeakPolarHBondContact CE-OH 3.13Å; H238-Y240 HydrophobicContact CB-CE2 4.15Å; Y240-S252 PolarHBondContact N-O 3.32Å; Y240-S252 PolarHBondContact O-N 3.41Å; Y240-S252 VanDerWaalsContact O-O 3.1Å
241A97.4Very high96.9Very high69 Ų6972.9 Ų72.957%0.5740%0.403SS*.EExtended strand (participates in β ladder)trans-137.5145.6179.700000110.1V250 L251A241-V250 WeakPolarHBondContact CA-O 3.39Å; A241-L251 HydrophobicContact CB-CD2 3.63Å
242L96.8Very high97Very high108 Ų10872.9 Ų72.957%0.56540%0.403SS*.EExtended strand (participates in β ladder)trans-89152.2164.5-64.7175000109.4I244 V250L242-I244 PolarHBondContact O-N 2.9Å; L242-V250 HydrophobicContact CB-CB 4.28Å; L242-V250 HydrophobicContact CD1-CB 4.28Å; L242-V250 HydrophobicContact CD1-CG1 4.22Å; L242-V250 PolarHBondContact N-O 3.08Å; L242-V250 VanDerWaalsContact N-O 3.07Å
243S96.4Very high97Very high118 Ų11870.6 Ų70.683%0.82539%0.393SS*.EExtended strand (participates in β ladder)trans-56.2129.5170.4-62.50000109.9K245S243-K245 PolarHBondContact O-N 3.16Å
244I96.1Very high97.1Very high99 Ų9964.7 Ų64.751%0.50837%0.366SS..EExtended strand (participates in β ladder)trans-57.1131-179.6-63.7159.5000109.4L242 M249 I270L242-I244 PolarHBondContact O-N 2.9Å; I244-M249 HydrophobicContact CD1-CE 4.16Å; I244-M249 HydrophobicContact CG1-CB 4.42Å; I244-M249 HydrophobicContact CG1-CG 4.28Å; I244-I270 HydrophobicContact CB-CD1 4.41Å; I244-I270 HydrophobicContact CD1-CD1 3.52Å; I244-I270 HydrophobicContact CG1-CD1 3.89Å; I244-I270 HydrophobicContact CG2-CD1 3.62Å
245K95.9Very high97.1Very high150 Ų15066.4 Ų66.465%0.65237%0.37SS*.EExtended strand (participates in β ladder)trans-143.6143.7179-164.7-175.4169.4-1760109.5S243 G247 V248S243-K245 PolarHBondContact O-N 3.16Å; K245-G247 PolarHBondContact O-N 3.35Å; K245-G247 VanDerWaalsContact O-N 3.15Å; K245-V248 PolarHBondContact N-O 3.42Å; K245-V248 PolarHBondContact O-N 2.86Å
246D95.8Very high97.2Very high143 Ų14372 Ų7277%0.76539%0.391SS*.THydrogen-bonded Turntrans55.932.8175.9-51.6-40.4000114.1V248D246-V248 VanDerWaalsContact C-N 3.26Å; D246-V248 PolarHBondContact O-N 3.35Å
247G95.5Very high97.3Very high42 Ų4278.9 Ų78.943%0.43342%0.417SS..THydrogen-bonded Turntrans73.212.8-179.500000114.6K245 P269 I270K245-G247 PolarHBondContact O-N 3.35Å; K245-G247 VanDerWaalsContact O-N 3.15Å; G247-P269 WeakPolarHBondContact O-CA 3.37Å; G247-I270 PolarHBondContact O-N 3.43Å
248V97.3Very high97.2Very high49 Ų4981 Ų8130%0.29742%0.42SS..EExtended strand (participates in β ladder)trans-118.4129.7-179-176.80000110.7K245 D246 V250 Y267K245-V248 PolarHBondContact N-O 3.42Å; K245-V248 PolarHBondContact O-N 2.86Å; D246-V248 VanDerWaalsContact C-N 3.26Å; D246-V248 PolarHBondContact O-N 3.35Å; V248-V250 HydrophobicContact CG1-CG2 4.37Å; V248-Y267 HydrophobicContact CG1-CD1 4.13Å
249M97.3Very high97.2Very high62 Ų6286.7 Ų86.731%0.30544%0.444SS..EExtended strand (participates in β ladder)trans-89.4131.8167.6-167-178.2-66.900109.6I244 L251 K268 I270I244-M249 HydrophobicContact CD1-CE 4.16Å; I244-M249 HydrophobicContact CG1-CB 4.42Å; I244-M249 HydrophobicContact CG1-CG 4.28Å; M249-L251 HydrophobicContact CG-CD2 4.04Å; M249-L251 HydrophobicContact CG-CG 4.06Å; M249-L251 HydrophobicContact SD-CD1 3.94Å; M249-L251 HydrophobicContact SD-CD2 3.98Å; M249-L251 HydrophobicContact SD-CG 4Å; M249-K268 PolarHBondContact N-O 3.39Å; M249-K268 PolarHBondContact O-N 3.41Å; M249-I270 HydrophobicContact CB-CD1 3.99Å; M249-I270 HydrophobicContact CB-CG1 4.06Å; M249-I270 HydrophobicContact CE-CD1 3.76Å; M249-I270 HydrophobicContact CE-CG1 4.28Å
250V97.7Very high97.2Very high20 Ų2088.2 Ų88.212%0.12145%0.445CS..EExtended strand (participates in β ladder)trans-117.5115.8174.3-169.90000109.4A241 L242 V248 L266 Y267A241-V250 WeakPolarHBondContact CA-O 3.39Å; L242-V250 HydrophobicContact CB-CB 4.28Å; L242-V250 HydrophobicContact CD1-CB 4.28Å; L242-V250 HydrophobicContact CD1-CG1 4.22Å; L242-V250 PolarHBondContact N-O 3.08Å; L242-V250 VanDerWaalsContact N-O 3.07Å; V248-V250 HydrophobicContact CG1-CG2 4.37Å; V250-L266 WeakPolarHBondContact CA-O 3.42Å; V250-Y267 HydrophobicContact CB-CD1 4.43Å; V250-Y267 HydrophobicContact CB-CE1 4.29Å; V250-Y267 HydrophobicContact CG1-CD1 4.21Å; V250-Y267 HydrophobicContact CG1-CD2 4.42Å; V250-Y267 HydrophobicContact CG1-CE1 3.83Å; V250-Y267 HydrophobicContact CG1-CE2 4.06Å; V250-Y267 HydrophobicContact CG1-CG 4.48Å; V250-Y267 HydrophobicContact CG2-CD1 3.49Å; V250-Y267 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y267 HydrophobicContact CG2-CE1 3.43Å; V250-Y267 VanDerWaalsContact CG2-CE1 3.43Å; V250-Y267 HydrophobicContact CG2-CG 4.32Å
251L97.8Very high97.2Very high46 Ų4690 Ų9024%0.24145%0.453CS..EExtended strand (participates in β ladder)trans-114.2148178.8-61-178.3000109.8L239 A241 M249 L265 L266L239-L251 HydrophobicContact CD1-CB 4.1Å; L239-L251 HydrophobicContact CD1-CD2 4.41Å; L239-L251 HydrophobicContact CD2-CD2 4.42Å; A241-L251 HydrophobicContact CB-CD2 3.63Å; M249-L251 HydrophobicContact CG-CD2 4.04Å; M249-L251 HydrophobicContact CG-CG 4.06Å; M249-L251 HydrophobicContact SD-CD1 3.94Å; M249-L251 HydrophobicContact SD-CD2 3.98Å; M249-L251 HydrophobicContact SD-CG 4Å; L251-L265 CarbonylContact O-C 3.44Å; L251-L265 WeakPolarHBondContact O-CA 3.38Å; L251-L266 PolarHBondContact N-O 3.45Å; L251-L266 PolarHBondContact O-N 3.03Å
252S97.9Very high97.3Very high11 Ų1190.4 Ų90.48%0.07745%0.448CS..EExtended strand (participates in β ladder)trans-142.5143.1177.1177.60000111.1L215 Y240 T263 T264L215-S252 VanDerWaalsContact CD1-OG 3.28Å; L215-S252 WeakPolarHBondContact CD1-OG 3.28Å; Y240-S252 PolarHBondContact N-O 3.32Å; Y240-S252 PolarHBondContact O-N 3.41Å; Y240-S252 VanDerWaalsContact O-O 3.1Å; S252-T263 VanDerWaalsContact OG-CG2 3.29Å; S252-T263 WeakPolarHBondContact OG-CG2 3.47Å; S252-T264 VanDerWaalsContact CA-O 3.28Å; S252-T264 WeakPolarHBondContact CA-O 3.36Å
253A98.1Very high97.3Very high14 Ų1486.5 Ų86.512%0.11643%0.428CS..EExtended strand (participates in β ladder)trans-146.7142.4167.800000110.3T264A253-T264 PolarHBondContact N-O 3.31Å; A253-T264 PolarHBondContact O-N 2.94Å
254T98.1Very high97.4Very high1 Ų184.8 Ų84.81%0.00641%0.413CS..EExtended strand (participates in β ladder)trans-95.7121174.3-51.70000109.7P231 L236 N237 V262 T263P231-T254 HydrophobicContact CB-CG2 4.27Å; P231-T254 HydrophobicContact CG-CG2 4.01Å; L236-T254 WeakPolarHBondContact CA-O 3.47Å; L236-T254 HydrophobicContact CD2-CG2 3.55Å; N237-T254 PolarHBondContact N-O 3.24Å; T254-V262 WeakPolarHBondContact CA-O 3.34Å; T254-T263 WeakPolarHBondContact CG2-OG1 3.18Å; T254-T263 PolarHBondContact OG1-OG1 3.07Å
255H98.2Very high97.5Very high90 Ų9083.8 Ų83.842%0.41741%0.408SS..EExtended strand (participates in β ladder)trans-114.2153.3178.2-62.694.7000110.5N237 Y261 V262N237-H255 PolarHBondContact OD1-CD2 3.21Å; H255-Y261 WeakPolarHBondContact O-CA 3.45Å; H255-V262 PolarHBondContact N-O 2.84Å; H255-V262 PolarHBondContact O-N 3.06Å
256R98.1Very high97.6Very high124 Ų12481.2 Ų81.247%0.46840%0.401SS..EExtended strand (participates in β ladder)trans-101.1126.7173.6178.7-175.4-72.9169.2-3.8109.8L236 K258 K260 Y261L236-R256 HydrophobicContact CD1-CB 4.09Å; R256-K258 WeakPolarHBondContact CD-O 3.28Å; R256-K258 VanDerWaalsContact CG-O 3.25Å; R256-K258 WeakPolarHBondContact CG-O 3.49Å; R256-K260 CarbonylContact C-O 3.58Å; R256-K260 WeakPolarHBondContact CA-O 3.4Å; R256-Y261 HydrophobicContact CB-CD1 4.2Å; R256-Y261 HydrophobicContact CB-CE1 4.36Å; R256-Y261 HydrophobicContact CG-CD1 4.36Å; R256-Y261 HydrophobicContact CG-CE1 4.23Å; R256-Y261 VanDerWaalsContact NE-CE1 3.3Å; R256-Y261 PolarHBondContact NH2-OH 2.87Å; R256-Y261 VanDerWaalsContact NH2-OH 3.11Å
257Y97.7Very high97.7Very high159 Ų15981.4 Ų81.462%0.62439%0.392SS*.EExtended strand (participates in β ladder)trans-116.7110.7167.7-179.7-104.6000109.2K259 K260Y257-K259 PolarHBondContact O-N 2.97Å; Y257-K259 VanDerWaalsContact O-N 3.16Å; Y257-K260 PolarHBondContact N-O 3.14Å; Y257-K260 WeakPolarHBondContact O-CB 3.29Å; Y257-K260 PolarHBondContact O-N 2.84Å
258K96.3Very high97.8Very high165 Ų16585.7 Ų85.772%0.71740%0.399SS*.THydrogen-bonded Turntrans52.8-117.6-170.5-56.6-177.8177.6-177.50110.6R256R256-K258 WeakPolarHBondContact CD-O 3.28Å; R256-K258 VanDerWaalsContact CG-O 3.25Å; R256-K258 WeakPolarHBondContact CG-O 3.49Å
259K97.3Very high97.8Very high197 Ų19788.3 Ų88.386%0.85742%0.417SS*.THydrogen-bonded Turntrans-98.213.9177.4-60.2-172.4177.8-174.30113.2Y257Y257-K259 PolarHBondContact O-N 2.97Å; Y257-K259 VanDerWaalsContact O-N 3.16Å
260K97.7Very high97.5Very high151 Ų15192.5 Ų92.566%0.65744%0.439SS*.EExtended strand (participates in β ladder)trans-115.7149.9-177.7-57.7-64.8-174.1166.30110.1R256 Y257R256-K260 CarbonylContact C-O 3.58Å; R256-K260 WeakPolarHBondContact CA-O 3.4Å; Y257-K260 PolarHBondContact N-O 3.14Å; Y257-K260 WeakPolarHBondContact O-CB 3.29Å; Y257-K260 PolarHBondContact O-N 2.84Å
261Y98.3Very high97.5Very high73 Ų7396.2 Ų96.229%0.28646%0.455SS..EExtended strand (participates in β ladder)trans-115.1135177.7-54.2-80.8000109.2E230 P231 L236 H255 R256E230-Y261 HydrophobicContact CG-CD2 4.33Å; E230-Y261 HydrophobicContact CG-CE2 3.81Å; E230-Y261 PolarHBondContact OE1-OH 3.06Å; P231-Y261 HydrophobicContact CG-CD1 3.53Å; P231-Y261 HydrophobicContact CG-CD2 4.12Å; P231-Y261 HydrophobicContact CG-CE1 4.05Å; P231-Y261 HydrophobicContact CG-CG 3.55Å; L236-Y261 HydrophobicContact CD1-CD1 4.13Å; L236-Y261 HydrophobicContact CD1-CE1 3.87Å; L236-Y261 HydrophobicContact CD2-CD1 4Å; L236-Y261 HydrophobicContact CD2-CE1 4.44Å; H255-Y261 WeakPolarHBondContact O-CA 3.45Å; R256-Y261 HydrophobicContact CB-CD1 4.2Å; R256-Y261 HydrophobicContact CB-CE1 4.36Å; R256-Y261 HydrophobicContact CG-CD1 4.36Å; R256-Y261 HydrophobicContact CG-CE1 4.23Å; R256-Y261 VanDerWaalsContact NE-CE1 3.3Å; R256-Y261 PolarHBondContact NH2-OH 2.87Å; R256-Y261 VanDerWaalsContact NH2-OH 3.11Å
262V98.1Very high97.5Very high77 Ų7798.8 Ų98.847%0.46747%0.466SS..EExtended strand (participates in β ladder)trans-132.4119.2-179.8-175.80000108.6T254 H255T254-V262 WeakPolarHBondContact CA-O 3.34Å; H255-V262 PolarHBondContact N-O 2.84Å; H255-V262 PolarHBondContact O-N 3.06Å
263T98.2Very high97.5Very high25 Ų25103.7 Ų103.715%0.15349%0.488CS..EExtended strand (participates in β ladder)trans-92.2112.6171.6-560000108.4I214 L215 L228 S252 T254 L265I214-T263 HydrophobicContact CG2-CG2 4.48Å; L215-T263 HydrophobicContact CD1-CG2 4.01Å; L215-T263 HydrophobicContact CD2-CG2 3.89Å; L215-T263 HydrophobicContact CG-CG2 4.02Å; L228-T263 HydrophobicContact CD1-CG2 4.23Å; L228-T263 WeakPolarHBondContact CD1-OG1 3.4Å; S252-T263 VanDerWaalsContact OG-CG2 3.29Å; S252-T263 WeakPolarHBondContact OG-CG2 3.47Å; T254-T263 WeakPolarHBondContact CG2-OG1 3.18Å; T254-T263 PolarHBondContact OG1-OG1 3.07Å; T263-L265 HydrophobicContact CG2-CD1 4.1Å
264T98.2Very high97.5Very high82 Ų82108.9 Ų108.950%0.50351%0.51SS..EExtended strand (participates in β ladder)trans-100.1126.8-178.8-55.30000109.3S252 A253S252-T264 VanDerWaalsContact CA-O 3.28Å; S252-T264 WeakPolarHBondContact CA-O 3.36Å; A253-T264 PolarHBondContact N-O 3.31Å; A253-T264 PolarHBondContact O-N 2.94Å
265L98.2Very high97.4Very high78 Ų78115.7 Ų115.741%0.40854%0.541SS..EExtended strand (participates in β ladder)trans-103.5133.8174-71.472.8000109.2L215 L251 T263 Y267L215-L265 HydrophobicContact CD1-CD1 3.97Å; L215-L265 HydrophobicContact CD1-CD2 4.22Å; L215-L265 HydrophobicContact CD1-CG 4.14Å; L215-L265 HydrophobicContact CD2-CD1 4.41Å; L251-L265 CarbonylContact O-C 3.44Å; L251-L265 WeakPolarHBondContact O-CA 3.38Å; T263-L265 HydrophobicContact CG2-CD1 4.1Å; L265-Y267 HydrophobicContact CB-CE2 4.15Å; L265-Y267 HydrophobicContact CD2-CE2 4.45Å
266L98Very high97.4Very high96 Ų96117.4 Ų117.450%0.50355%0.549SS..EExtended strand (participates in β ladder)trans-118.6123.1176.3176.265.6000109.6V250 L251V250-L266 WeakPolarHBondContact CA-O 3.42Å; L251-L266 PolarHBondContact N-O 3.45Å; L251-L266 PolarHBondContact O-N 3.03Å
267Y97.9Very high97.3Very high147 Ų147116.9 Ų116.958%0.57656%0.555SS**EExtended strand (participates in β ladder)trans-102.9119.9171.5-68.9-103.7000108.4V248 V250 L265V248-Y267 HydrophobicContact CG1-CD1 4.13Å; V250-Y267 HydrophobicContact CB-CD1 4.43Å; V250-Y267 HydrophobicContact CB-CE1 4.29Å; V250-Y267 HydrophobicContact CG1-CD1 4.21Å; V250-Y267 HydrophobicContact CG1-CD2 4.42Å; V250-Y267 HydrophobicContact CG1-CE1 3.83Å; V250-Y267 HydrophobicContact CG1-CE2 4.06Å; V250-Y267 HydrophobicContact CG1-CG 4.48Å; V250-Y267 HydrophobicContact CG2-CD1 3.49Å; V250-Y267 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y267 HydrophobicContact CG2-CE1 3.43Å; V250-Y267 VanDerWaalsContact CG2-CE1 3.43Å; V250-Y267 HydrophobicContact CG2-CG 4.32Å; L265-Y267 HydrophobicContact CB-CE2 4.15Å; L265-Y267 HydrophobicContact CD2-CE2 4.45Å
268K97.3Very high97.3Very high133 Ų133113.7 Ų113.758%0.57855%0.55SS**EExtended strand (participates in β ladder)trans-132.6125.6-178.8-172.8179.3177.1-179.40110.6M249M249-K268 PolarHBondContact N-O 3.39Å; M249-K268 PolarHBondContact O-N 3.41Å
269P96.5Very high97.4Very high104 Ų104109.4 Ų109.468%0.67554%0.536SS*.EExtended strand (participates in β ladder)trans-66148.3173.228.5-33.6000111.1G247G247-P269 WeakPolarHBondContact O-CA 3.37Å
270I92.6Very high97.4Very high150 Ų150101.5 Ų101.577%0.76951%0.507SS*.  trans-104.70175.7-55.1-176000110I244 G247 M249I244-I270 HydrophobicContact CB-CD1 4.41Å; I244-I270 HydrophobicContact CD1-CD1 3.52Å; I244-I270 HydrophobicContact CG1-CD1 3.89Å; I244-I270 HydrophobicContact CG2-CD1 3.62Å; G247-I270 PolarHBondContact O-N 3.43Å; M249-I270 HydrophobicContact CB-CD1 3.99Å; M249-I270 HydrophobicContact CB-CG1 4.06Å; M249-I270 HydrophobicContact CE-CD1 3.76Å; M249-I270 HydrophobicContact CE-CG1 4.28Å

Retrieved 270 of 270 residues in 381.2 ms (Link to these results)