Q9AQY8_ORYSJ Loading...

OSJNBa0004B13.24 protein

AlphaFold DB , UniProt , Accession Q9AQY8, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene OSJNBa0004B13.24, Length 297 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.8Very low50.2Low247 Ų247132.5 Ų132.5100%1.21785%0.854SS**  0138.80-76.4-163164.100108.5
2A46Very low50.4Low103 Ų103138 Ų13885%0.85186%0.855SS**  trans73.897.7169.700000119.2
3S55.7Low49.9Very low115 Ų115141.4 Ų141.480%0.80486%0.862SS**  trans-73.6165.8141.5-55.40000110.1
4P62.7Low49.4Very low130 Ų130135.6 Ų135.684%0.84485%0.846SS**  -142.4157.7112.531.9-14.6000115.9
5S47.9Very low49.1Very low122 Ų122134.4 Ų134.485%0.85384%0.844SS**  trans-79.7152176.6167.70000113
6A52.8Low49Very low94 Ų94136.9 Ų136.978%0.77784%0.841SS**  trans164.3147.9147.100000108.8
7A50.9Low49.3Very low90 Ų90138.4 Ų138.474%0.74484%0.842SS**  cis-166.7140.9-15.900000105.4
8A43.3Very low49.7Very low103 Ų103136.1 Ų136.185%0.85183%0.83SS**  trans-65.2138.7177.100000111.8
9T53.1Low49.7Very low120 Ų120140.1 Ų140.174%0.73683%0.829SS**  trans-131.695.4161.9-49.60000109.2R11T9-R11 HydrophobicContact CG2-CG 4.39Å; T9-R11 PolarHBondContact O-N 2.84Å
10A41.5Very low50Low102 Ų102141.3 Ų141.384%0.84383%0.83SS**  trans-72115.2167.700000109.2
11R52.8Low50.3Low231 Ų231145 Ų14587%0.87283%0.83SS**  trans-100.594.9171.4-79.6-175.3150.5-160.8-5.8110.3T9T9-R11 HydrophobicContact CG2-CG 4.39Å; T9-R11 PolarHBondContact O-N 2.84Å
12K52.3Low50.7Low199 Ų199139.2 Ų139.287%0.86580%0.804SS**  trans38.397.5131.4-152163.8-174.5178.70117G14K12-G14 PolarHBondContact O-N 3.34Å
13L43.4Very low51.2Low182 Ų182141 Ų14195%0.95380%0.798SS**  trans-48.4124.3154-66.6160.2000109.8
14G42.8Very low51.3Low61 Ų61142.3 Ų142.363%0.62979%0.794SS**  trans-168.3109.7179.600000111.5K12K12-G14 PolarHBondContact O-N 3.34Å
15S46Very low50.9Low117 Ų117143.3 Ų143.382%0.81879%0.793SS**SBendtrans68.1122.9154.755.90000120
16H47.6Very low51.2Low174 Ų174146.1 Ų146.181%0.80679%0.792SS**  trans83.776144.5-117.4-91.2000117.8
17L53.8Low51.5Low163 Ų163149 Ų14985%0.85379%0.794SS**PPolyproline II helixtrans-69.7128.2152.4-69.2173.7000108.2R19L17-R19 PolarHBondContact O-N 3.46Å
18P56.5Low51.7Low97 Ų97151.7 Ų151.763%0.6380%0.796SS**PPolyproline II helixtrans-64.5133.8178.627.3-31.8000109
19R49.2Very low52.4Low211 Ų211154.9 Ų154.980%0.79679%0.793SS**PPolyproline II helixtrans-72.7138.9172.3-76.7-175.8159.1162.5-3.9107.6L17 R21 D22L17-R19 PolarHBondContact O-N 3.46Å; R19-R21 PolarHBondContact O-N 3.36Å; R19-D22 PolarHBondContact O-N 2.87Å
20L56.8Low52.6Low164 Ų164156.5 Ų156.586%0.85980%0.798SS**THydrogen-bonded Turntrans-55.413.1177.7-87.7129.2000116.1
21R55.5Low53.2Low219 Ų219159.6 Ų159.683%0.82680%0.8SS**THydrogen-bonded Turntrans-107.6-5.7177.1-71.4-174.5176.2-177-2.9113.8R19R19-R21 PolarHBondContact O-N 3.36Å
22D54.8Low53.5Low126 Ų126155.7 Ų155.767%0.67480%0.797SS**SBendtrans-103.819-178.3-56.1-26.9000113R19R19-D22 PolarHBondContact O-N 2.87Å
23I55.4Low53.1Low142 Ų142154.2 Ų154.273%0.72879%0.791SS**SBendtrans-106.7-0.6179.3-82.3169.2000112.2
24I58.9Low53.7Low141 Ų141151 Ų15172%0.72378%0.778SS**SBendtrans-104.6-0.7-169.2-59173.4000112.9
25D54.4Low54.2Low151 Ų151155.6 Ų155.681%0.80778%0.783SS**SBendtrans-108129173.3-80.3-59.2000109.5
26H54.3Low54.4Low181 Ų181158.8 Ų158.884%0.83879%0.785SS**  trans98.783.1161.2-136.855.6000117.4
27D57.5Low54.5Low155 Ų155158.7 Ų158.783%0.82979%0.785SS**  trans-156.572.6139.8-147.126.6000108.7
28D56.1Low54.5Low147 Ų147159.9 Ų159.979%0.78679%0.786SS**  trans-9390.9164.9-74.7-60000106.1
29E58.1Low54.4Low169 Ų169164.2 Ų164.279%0.7980%0.798SS**  trans-170.6137.2165.2-103.3152-155.800109.3
30D57.7Low54.6Low154 Ų154162.3 Ų162.382%0.82480%0.798SS**  trans90.762177.9-49-32.1000118.5D32D30-D32 PolarHBondContact O-N 3.35Å
31D54Low54.5Low168 Ų168162.7 Ų162.790%0.89880%0.796SS**  trans-63.796.3146.9-87.5-52.7000110.3
32D58Low54.4Low149 Ų149160 Ų16080%0.79779%0.793SS**  trans-117.479.5157.3-99.6-51000108.3D30 V34D30-D32 PolarHBondContact O-N 3.35Å; D32-V34 PolarHBondContact O-N 2.92Å; D32-V34 VanDerWaalsContact O-N 3.14Å
33F44Very low54.5Low168 Ų168160.5 Ų160.574%0.73779%0.791SS**  trans-69.895.4169.1178.5-105.5000108.5E35F33-E35 HydrophobicContact CD1-CG 4.01Å; F33-E35 HydrophobicContact CE1-CG 3.42Å; F33-E35 VanDerWaalsContact CE1-CG 3.42Å; F33-E35 HydrophobicContact CZ-CG 4.21Å; F33-E35 PolarHBondContact O-N 3.18Å
34V56.4Low54.6Low113 Ų113162.3 Ų162.369%0.68579%0.789SS**  trans-80.1107167.5-156.40000106.9D32 E36D32-V34 PolarHBondContact O-N 2.92Å; D32-V34 VanDerWaalsContact O-N 3.14Å; V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 HydrophobicContact CG1-CG 4.46Å; V34-E36 PolarHBondContact O-N 3.37Å
35E53.3Low54.7Low159 Ų159161.6 Ų161.674%0.74378%0.782SS**  trans-58.396.1163.5-80.1-179.8147.200108.6F33F33-E35 HydrophobicContact CD1-CG 4.01Å; F33-E35 HydrophobicContact CE1-CG 3.42Å; F33-E35 VanDerWaalsContact CE1-CG 3.42Å; F33-E35 HydrophobicContact CZ-CG 4.21Å; F33-E35 PolarHBondContact O-N 3.18Å
36E50.4Low55.6Low183 Ų183158.8 Ų158.886%0.85577%0.767SS**  trans-115.959.3156.6-72-16517300108.2V34V34-E36 VanDerWaalsContact C-N 3.35Å; V34-E36 HydrophobicContact CG1-CG 4.46Å; V34-E36 PolarHBondContact O-N 3.37Å
37E49.1Very low56Low172 Ų172154.4 Ų154.480%0.80475%0.748SS**  trans-111.6115159-70.6-166.4159.900105.6
38E54.1Low56.5Low189 Ų189150.9 Ų150.988%0.88374%0.735SS**SBendtrans169-5.8146.7-92.5176.8-171.700116
39E54.7Low57.1Low187 Ų187150.5 Ų150.587%0.87473%0.727SS**SBendtrans-101.9-3.9-171.9-67.4-164.9171.600118.1
40E52.9Low57.7Low172 Ų172151.5 Ų151.580%0.80472%0.723SS**SBendtrans-95.7-6.1-176.7-71.9-165.6170.500115.9
41E53.9Low57.6Low172 Ų172151.8 Ų151.880%0.80472%0.722SS**SBendtrans-86.5-23.9180-67.2-164166.200114.1E43E41-E43 PolarHBondContact O-N 3.48Å
42E54.5Low57.9Low163 Ų163148.6 Ų148.676%0.76271%0.713SS**Hα-helixtrans-73.8-26.2-177.3-70-161.9159.900113.8W44 E45E42-W44 PolarHBondContact O-N 3.32Å; E42-E45 PolarHBondContact O-N 2.95Å
43E56.8Low57.9Low136 Ų136152 Ų15264%0.63671%0.714SS**Hα-helixtrans-72.9-29.5-175.1-140.6-174.4179.600112.6E41 M47E41-E43 PolarHBondContact O-N 3.48Å; E43-M47 HydrophobicContact CB-CE 4.32Å; E43-M47 HydrophobicContact CG-CE 3.73Å; E43-M47 WeakPolarHBondContact O-CG 3.31Å; E43-M47 PolarHBondContact O-N 2.76Å
44W57.7Low58.4Low180 Ų180151.5 Ų151.568%0.68272%0.718SS**Hα-helixtrans-74.8-28.9179.2-63.8103.6000113.2E42 S48E42-W44 PolarHBondContact O-N 3.32Å; W44-S48 PolarHBondContact O-N 3.42Å; W44-S48 PolarHBondContact O-OG 3.41Å
45E59.9Low58.4Low126 Ų126151.4 Ų151.459%0.58972%0.723SS**Hα-helixtrans-71.8-36.3177.1-65.9-157.9160.700112.5E42 K49E42-E45 PolarHBondContact O-N 2.95Å; E45-K49 PolarHBondContact O-N 3.03Å
46D73.3Confident58.6Low91 Ų91150.2 Ų150.249%0.48773%0.726SS.*Hα-helixtrans-70-41.4177.2-169.154000111.6S48 K49 R50D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.44Å; D46-K49 PolarHBondContact O-N 3.25Å; D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 2.71Å
47M63.6Low58.8Low90 Ų90151.1 Ų151.144%0.44373%0.73SS.*Hα-helixtrans-63.8-36.8176.6-65.5-171.4-141.800112.3E43 R50E43-M47 HydrophobicContact CB-CE 4.32Å; E43-M47 HydrophobicContact CG-CE 3.73Å; E43-M47 WeakPolarHBondContact O-CG 3.31Å; E43-M47 PolarHBondContact O-N 2.76Å; M47-R50 PolarHBondContact O-N 2.86Å
48S67.8Low58.8Low80 Ų80146.7 Ų146.756%0.55973%0.731SS**Hα-helixtrans-69.8-33.9176.6-710000113.4W44 D46 R50 M51W44-S48 PolarHBondContact O-N 3.42Å; W44-S48 PolarHBondContact O-OG 3.41Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.44Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 3.42Å; S48-M51 PolarHBondContact O-N 3.42Å
49K68.9Low59.1Low140 Ų140143.7 Ų143.761%0.60973%0.731SS**Hα-helixtrans-66.9-29175.4-89.1160.5-177.3148.60113E45 D46E45-K49 PolarHBondContact O-N 3.03Å; D46-K49 PolarHBondContact O-N 3.25Å
50R70.7Confident59.3Low189 Ų189142.3 Ų142.371%0.71373%0.729SS**Hα-helixtrans-79.6-23179.9-66.3178.667.7176.5-0113.9D46 M47 S48D46-R50 WeakPolarHBondContact O-CG 3.31Å; D46-R50 PolarHBondContact O-N 2.71Å; M47-R50 PolarHBondContact O-N 2.86Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 3.42Å
51M55.9Low59.7Low161 Ų161137.6 Ų137.679%0.79373%0.727SS**Hα-helixtrans-86.2-15.5-178.4-67.9-71.1-74.900114S48S48-M51 PolarHBondContact O-N 3.42Å
52S59.7Low59.8Low101 Ų101133.2 Ų133.271%0.70673%0.728SS**THydrogen-bonded Turntrans-86.3-1.9-175.4-65.30000115.6
53R58.8Low60.2Low221 Ų221132.9 Ų132.983%0.83473%0.731SS**THydrogen-bonded Turntrans-96.16-174.7-55.3-170.391.4113.90.2115.2
54L54.9Low60.7Low156 Ų156130.9 Ų130.982%0.81774%0.738SS**  trans-11272.3177.8-59.1178.3000109.7
55S55.7Low61.1Low112 Ų112128.6 Ų128.678%0.78374%0.739SS**  trans-155.3132.4166.6-82.10000109.1
56V57.2Low61.2Low134 Ų134130.5 Ų130.581%0.81275%0.754SS**  trans98.379.6168.8103.50000116.6
57E54.2Low60.7Low201 Ų201134.6 Ų134.694%0.93977%0.77SS**  trans-137.796.8140.5-98.8134.3110.200107.1
58G49.8Very low60.6Low80 Ų80137.9 Ų137.983%0.82579%0.789SS**  trans-80.9123.7162.200000107.9
59S60.3Low60.1Low125 Ų125140.5 Ų140.587%0.87480%0.797SS**  trans-105.6121.5164.5-167.30000108.6
60D59.5Low59.3Low158 Ų158137.7 Ų137.785%0.84581%0.807SS**  trans-78.6158.7175.1179.228.7000111.1
61G59.8Low58.4Low73 Ų73138.9 Ų138.975%0.75381%0.814SS**  trans106.2114.3158.600000117.4
62G57.2Low58.1Low80 Ų80139 Ų13983%0.82582%0.816SS**  trans1586216000000115.2
63D62.1Low57.5Low156 Ų156144.8 Ų144.883%0.83482%0.823SS**  trans-65.7130155.4-108.3-19.3000108.1
64A66.8Low56.9Low95 Ų95137.1 Ų137.179%0.78581%0.813SS**  trans-147.694.8163.500000107.2
65D66.3Low56.6Low131 Ų131136.7 Ų136.770%0.70181%0.807SS**  trans-59.4128.5159.8-36.9-53.4000107.4
66D63.1Low56.4Low167 Ų167138.9 Ų138.989%0.89380%0.804SS**  trans-148.1121.4151.5-122.3-11.6000108.8
67E62.3Low55.9Low176 Ų176140.7 Ų140.782%0.82280%0.804SS**  trans-85.7139.9-179.7-43.4-161165.600107.9
68D60.9Low55.8Low159 Ų159139.8 Ų139.885%0.8580%0.8SS**  trans-155.6122.1149.8-158.527.6000110
69D58.5Low55.8Low136 Ų136145.1 Ų145.173%0.72780%0.803SS**  trans-102.5132.8-177.653.8-24.7000109.7
70G51.8Low55.5Low80 Ų80148.3 Ų148.383%0.82580%0.804SS**  trans-156.184.1-177.200000113.2
71Y52.6Low55.3Low215 Ų215149.1 Ų149.184%0.84380%0.803SS**  trans-69.9167.8168.4-80.6-98.5000112.8
72L48.2Very low55.1Low162 Ų162153.2 Ų153.285%0.84881%0.808SS**  trans94.7111161.2-50176.1000114.7
73R47.9Very low55Low223 Ų223152.5 Ų152.584%0.84280%0.8SS**  70.6114.664.6-169-179.7-179.9-145.7-8.2114.2E75R73-E75 IonicContact NH2-OE1 3.54Å
74G46.5Very low54.7Low61 Ų61152.7 Ų152.763%0.62980%0.801SS**  trans155.2113.1164.200000107.6
75E48.1Very low54.1Low147 Ų147156.1 Ų156.169%0.68780%0.801SS**  52.412777.4-67.4179.6-155.600110.2R73R73-E75 IonicContact NH2-OE1 3.54Å
76E50.4Low53.8Low157 Ų157156.3 Ų156.373%0.73481%0.807SS**  cis-166.6-174.36.3-93.3171.1168.300105.4
77E48.4Very low53.4Low173 Ų173158.9 Ų158.981%0.80880%0.804SS**  trans84.4100.3159-47.6-174.1170.700116
78E50.4Low53.1Low182 Ų182155.1 Ų155.185%0.8580%0.797SS**  58.9112.981.7-65.9-162.5-173.600113.9
79E51.3Low52.7Low192 Ų192154.9 Ų154.990%0.89780%0.796SS**  170.1148.1115.4-87.4-174.3-17700111.2
80E52.5Low52.7Low191 Ų191155.8 Ų155.889%0.89381%0.806SS**  trans-74.7171.1-171.4-51.2-169.9153.400113.1
81E57Low52.8Low176 Ų176159.3 Ų159.382%0.82281%0.806SS**  160.4110.3125.7-163.4168.8-159.600112.4
82D55.8Low52.6Low158 Ų158151.9 Ų151.985%0.84580%0.795SS**  trans42142.5135.7-58.4-34.4000125.9
83G54.9Low53.1Low65 Ų65151.7 Ų151.767%0.6779%0.789SS**  trans123.8128.5150.600000113.5
84D54.4Low53.2Low160 Ų160151.1 Ų151.186%0.85679%0.789SS**  cis-170.9154.57.943.3-91.7000109.7
85E54.7Low53.3Low168 Ų168152.1 Ų152.179%0.78580%0.799SS**  trans-88.6145.3-178.4-60.2179.6150.200113.4
86V60.5Low53.3Low134 Ų134153.4 Ų153.481%0.81281%0.81SS**  trans-150.6108.3144.4-73.40000109.1
87R53.6Low53.3Low222 Ų222149.2 Ų149.284%0.83881%0.809SS**  53.313389-70.2-174.1167.8179.8-2.7113.5
88S57Low53Low97 Ų97144.8 Ų144.868%0.67881%0.81SS**  cis-176.1144.926.537.90000111.6
89D52.3Low52.6Low153 Ų153140.2 Ų140.282%0.81881%0.811SS**  trans47.6123.3132.1-48.1-39.5000122.9
90V57.5Low52.2Low155 Ų155134.9 Ų134.994%0.93981%0.808SS**  -149.6135.9126120.10000111.6
91N55.4Low51.4Low155 Ų155130.1 Ų130.183%0.82981%0.811SS**  trans-106.4160.3-162.8160.177.9000112.6
92G48.3Very low50.7Low59 Ų59124.7 Ų124.761%0.60880%0.802SS**  trans113.4137157.300000113.2
93E58.5Low50.4Low158 Ų158125 Ų12574%0.73880%0.798SS**  cis-177.9138.620.1169.5111.5132.800107.5
94Y49.9Very low49.9Very low211 Ų211133.7 Ų133.783%0.82781%0.811SS**  trans3.8139.9167-49.7-70.4000124.2
95G49Very low49.7Very low81 Ų81132.8 Ų132.884%0.83580%0.801SS**  trans-17889.9158.600000113.7
96D47.9Very low49.2Very low175 Ų175129.6 Ų129.694%0.93680%0.795SS**  trans-55.3147.7175.7177.360000114.9
97G49.1Very low48.5Very low68 Ų68134.3 Ų134.370%0.70180%0.8SS**  trans137.595.3156.800000117.8
98G43.7Very low48Very low81 Ų81126.8 Ų126.884%0.83579%0.792SS**  trans94.5101.4132.100000119.7
99G42.3Very low47.6Very low85 Ų85129.4 Ų129.488%0.87680%0.798SS**  94.5123.9119.500000118.8
100G41.4Very low47.6Very low81 Ų81129.1 Ų129.184%0.83580%0.796SS**  trans101.884.9145.900000115.6
101G36.9Very low47.5Very low91 Ų91128.6 Ų128.694%0.93879%0.788SS**  trans-62.8138162.900000111.7
102G42.7Very low47.4Very low62 Ų62126.8 Ų126.864%0.63979%0.785SS**  trans-150.376.7174.600000109.2W104G102-W104 PolarHBondContact O-N 3.1Å
103Q49.6Very low47.6Very low164 Ų164134.8 Ų134.877%0.76680%0.797SS**  trans-64.5119.3169.157.6-170.274.300109.7H105Q103-H105 PolarHBondContact NE2-CD2 3.26Å; Q103-H105 PolarHBondContact NE2-NE2 3.45Å
104W43.6Very low47.2Very low247 Ų247133.4 Ų133.494%0.93680%0.795SS**  trans-84.8112.4172-77.787.4000109.4G102G102-W104 PolarHBondContact O-N 3.1Å
105H49.2Very low47Very low142 Ų142129.6 Ų129.666%0.65780%0.796SS**  trans-110.2118.7170.2-74.5-104.8000109.1Q103Q103-H105 PolarHBondContact NE2-CD2 3.26Å; Q103-H105 PolarHBondContact NE2-NE2 3.45Å
106P45.8Very low46.7Very low101 Ų101133.6 Ų133.666%0.65679%0.792SS**  trans-94.9129.9163.533.5-24000109.3
107Y45.4Very low46.7Very low233 Ų233129.9 Ų129.991%0.91479%0.786SS**SBendtrans88.4128.4170.4-50.6-76.9000118.8
108G42.1Very low46.8Very low64 Ų64132.7 Ų132.766%0.6679%0.792SS**  trans98.8124.6178.900000111.7
109D50.2Low46.8Very low151 Ų151134.1 Ų134.181%0.80779%0.79SS**  cis-162.4143.230.6-74.2-57000111.3
110D51.6Low47Very low148 Ų148135.1 Ų135.179%0.79178%0.783SS**  trans51.6112139.3-58.2-49.6000124.1
111D55.6Low47.4Very low143 Ų143136.4 Ų136.477%0.76579%0.786SS**  trans-135114.8139.7-170.5-7.3000110.7R113D111-R113 PolarHBondContact O-N 3.46Å
112P52.3Low48Very low118 Ų118137.3 Ų137.377%0.76678%0.778SS**  trans-94.130.9-171.236.4-35.7000115.9
113R52.2Low48.8Very low226 Ų226142.5 Ų142.585%0.85379%0.79SS**SBendtrans-127.818.6-172.4-74.7-171.1-173.8162.75.3119.5D111D111-R113 PolarHBondContact O-N 3.46Å
114N51.2Low49Very low130 Ų130140.8 Ų140.870%0.69579%0.793SS**  trans-148.7104.5176.1-165.27.6000114.8Q116N114-Q116 PolarHBondContact O-N 3.34Å
115P45Very low49.2Very low130 Ų130132.6 Ų132.684%0.84479%0.786SS**  trans-91.386.3169.634.7-25.9000109.1
116Q43.7Very low49.6Very low165 Ų165132.4 Ų132.477%0.77179%0.794SS**  trans-141.8105164.7-123.8177.2-0.500110.4N114N114-Q116 PolarHBondContact O-N 3.34Å
117A47.2Very low50.3Low98 Ų98133.3 Ų133.381%0.8180%0.8SS**  trans-69.2133.317700000111.5
118P51Low50.3Low127 Ų127129.8 Ų129.883%0.82580%0.797SS**  trans-94.796.6157.631.1-25.7000109.8
119S44.8Very low50.7Low111 Ų111137.9 Ų137.978%0.77681%0.808SS**  trans3.9124141.9-161.90000117.2A121S119-A121 PolarHBondContact O-N 3.28Å
120S45.8Very low50.4Low106 Ų106134 Ų13474%0.74180%0.803SS**  trans-48.5120.3164.6-19.10000111.8S122S120-S122 PolarHBondContact O-N 2.96Å
121A49.4Very low50.4Low108 Ų108131.6 Ų131.689%0.89380%0.804SS**  trans-79.1103.1164.800000108.5S119S119-A121 PolarHBondContact O-N 3.28Å
122S51Low50.6Low109 Ų109130.6 Ų130.676%0.76281%0.805SS**PPolyproline II helixtrans-87.3128.8171.4-58.20000109.3S120S120-S122 PolarHBondContact O-N 2.96Å
123L59.3Low50.8Low171 Ų171129.1 Ų129.190%0.89580%0.803SS**PPolyproline II helixtrans-64.7137.4170.7-69.8166.7000110
124P53.9Low51Low128 Ų128124.4 Ų124.483%0.83180%0.802SS**SBendtrans-83.6130.117932.6-30.6000110.4
125G47.7Very low51.1Low76 Ų76122.4 Ų122.478%0.78480%0.798SS**  trans143.343.5162.900000118.6
126T57Low51.5Low137 Ų137122.1 Ų122.184%0.8480%0.796SS**  trans-135.7135.9156.353.30000110.5D128T126-D128 PolarHBondContact O-N 3.2Å
127P59.7Low52.2Low121 Ų121125.5 Ų125.579%0.78680%0.802SS**  trans-72127.8-176.527.1-32.5000111.7R129P127-R129 PolarHBondContact O-N 3.43Å
128D46.7Very low52.2Low158 Ų158129.4 Ų129.485%0.84581%0.806SS**  trans-57.1107.3171.5-166.210.2000110.6T126T126-D128 PolarHBondContact O-N 3.2Å
129R49.6Very low52.1Low235 Ų235134.1 Ų134.189%0.88781%0.808SS**  trans-111.6104.8165.4-102.6-173.9180126.7-0.6107.2P127 A131P127-R129 PolarHBondContact O-N 3.43Å; R129-A131 PolarHBondContact O-N 3.42Å
130G44.4Very low52.3Low68 Ų68133.9 Ų133.970%0.70181%0.807SS**PPolyproline II helixtrans-48.3125.1-177.200000113.7
131A51Low52.6Low98 Ų98136.8 Ų136.881%0.8181%0.806SS**PPolyproline II helixtrans-80.4124.416600000109.4R129R129-A131 PolarHBondContact O-N 3.42Å
132P60.1Low52.6Low122 Ų122137.3 Ų137.379%0.79279%0.79SS**PPolyproline II helixtrans-71145.416728.2-31.1000110.8
133A57.4Low52.9Low87 Ų87142.8 Ų142.872%0.71980%0.796SS**PPolyproline II helixtrans-46.4140.7-173.300000115S135A133-S135 PolarHBondContact O-N 3.03Å
134P55.7Low52.5Low127 Ų127138.5 Ų138.583%0.82579%0.785SS**PPolyproline II helixtrans-70.9123174.828.4-31.7000110.3
135S53.7Low52.5Low89 Ų89135.2 Ų135.262%0.62277%0.765SS**PPolyproline II helixtrans-67.6135.7171.2-730000110.4A133 W137A133-S135 PolarHBondContact O-N 3.03Å; S135-W137 PolarHBondContact O-N 2.84Å
136P53.5Low52.8Low123 Ų123141.1 Ų141.180%0.79977%0.772SS**THydrogen-bonded Turntrans-68.316.6-174.4-19.431.6000117.1
137W57.1Low53Low237 Ų237140.1 Ų140.190%0.89877%0.766SS**THydrogen-bonded Turntrans-112.73.4-171.9-58.679.1000113.8S135S135-W137 PolarHBondContact O-N 2.84Å
138M48.3Very low52.6Low180 Ų180139.3 Ų139.389%0.88775%0.752SS**  trans-10965.1179.4-72.6-97.1-101.900110.3
139Y48.7Very low52.8Low225 Ų225135.3 Ų135.388%0.88274%0.74SS**  trans-119.790.7162.5-112.9-82.6000106.8
140S49Very low52.9Low107 Ų107128.2 Ų128.275%0.74873%0.732SS**  trans177.5132.5158.4-86.40000108.7
141K50.6Low53.5Low166 Ų166135.4 Ų135.472%0.72274%0.738SS**  trans76.1136.3151.7-68179.1159.7-134.90116.7
142E51Low53.3Low120 Ų120140.1 Ų140.156%0.56174%0.735SS**  cis-161141.60.7-108.4138.6-179.300104.1A144E142-A144 PolarHBondContact O-N 2.92Å
143Y57.5Low53.1Low224 Ų224140.8 Ų140.888%0.87874%0.74SS**  trans-62.689.6162.7-137.3-95.9000106.3S145Y143-S145 PolarHBondContact O-N 3.43Å
144A49.2Very low53.2Low80 Ų80138.8 Ų138.866%0.66173%0.727SS**  trans-79.976.317800000108.4E142E142-A144 PolarHBondContact O-N 2.92Å
145S54.2Low53.5Low60 Ų60134 Ų13442%0.4270%0.7SS.*  trans-53.6140.7165.3-49.20000108.7Y143 T147 E148Y143-S145 PolarHBondContact O-N 3.43Å; S145-T147 PolarHBondContact O-N 3.18Å; S145-E148 PolarHBondContact O-N 2.94Å
146E54.9Low54Low199 Ų199135.3 Ų135.393%0.9370%0.701SS**THydrogen-bonded Turntrans-52.6-2.8180-86.5178.389.900115.7
147T59.9Low55.1Low116 Ų116137.3 Ų137.371%0.71270%0.697SS**THydrogen-bonded Turntrans-80.1-13.1178.253.90000114.5S145S145-T147 PolarHBondContact O-N 3.18Å
148E52.3Low55.9Low105 Ų105135 Ų13549%0.49169%0.688SS.*G310 helixtrans-91.7-9.3-178.4-68.9-162.1129.300115.7S145 A150 R151S145-E148 PolarHBondContact O-N 2.94Å; E148-A150 PolarHBondContact O-N 3.42Å; E148-R151 PolarHBondContact O-N 3.1Å
149A49.7Very low57.2Low73 Ų73135.2 Ų135.260%0.60368%0.679SS**G310 helixtrans-65-10.7176.500000113.7R151A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.33Å
150A52.9Low58.5Low86 Ų86129.4 Ų129.471%0.71166%0.661SS**G310 helixtrans-76-11-17900000114.9E148 W152E148-A150 PolarHBondContact O-N 3.42Å; A150-W152 VanDerWaalsContact C-N 3.34Å; A150-W152 PolarHBondContact O-N 3.4Å
151R56Low60Low220 Ų220132.7 Ų132.783%0.8366%0.657SS**G310 helixtrans-82.8-1.4-176.2-76.5-171.3-173-121.82.9115.6E148 A149E148-R151 PolarHBondContact O-N 3.1Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.33Å
152W48.6Very low61.5Low196 Ų196130.1 Ų130.174%0.74265%0.647SS**SBendtrans-81.1125176.2-69.997.8000110.9A150 G154 G155A150-W152 VanDerWaalsContact C-N 3.34Å; A150-W152 PolarHBondContact O-N 3.4Å; W152-G154 VanDerWaalsContact C-N 3.26Å; W152-G154 PolarHBondContact O-N 2.97Å; W152-G155 PolarHBondContact O-N 2.84Å
153P55.4Low63.2Low137 Ų137131.9 Ų131.989%0.8965%0.649SS**THydrogen-bonded Turntrans-63.890.7169.6-4.417.4000108.2
154G59.7Low64.5Low44 Ų44128.7 Ų128.745%0.45464%0.635SS.*THydrogen-bonded Turntrans141.2-17.7-171.400000115.2W152 D156W152-G154 VanDerWaalsContact C-N 3.26Å; W152-G154 PolarHBondContact O-N 2.97Å; G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.5Å
155G61Low66.3Low26 Ų26128.1 Ų128.127%0.26862%0.619SS.*Hα-helixtrans-63.9-34.517700000113W152 K157 R158 R159W152-G155 PolarHBondContact O-N 2.84Å; G155-K157 PolarHBondContact O-N 3.42Å; G155-R158 PolarHBondContact O-N 2.91Å; G155-R159 PolarHBondContact O-N 3.38Å; G155-R159 VanDerWaalsContact O-N 3.1Å
156D65.2Low67.9Low117 Ų117133 Ų13363%0.62663%0.628SS**Hα-helixtrans-70.1-34.2-174.2-137.40.9000113G154 R158 R159 M160G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.5Å; D156-R158 VanDerWaalsContact C-N 3.34Å; D156-R158 PolarHBondContact O-N 2.93Å; D156-R159 PolarHBondContact O-N 3.46Å; D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.48Å; D156-M160 PolarHBondContact O-N 3.01Å
157K75.4Confident69.4Low165 Ų165127.6 Ų127.672%0.71760%0.604SS**Hα-helixtrans-64-38.2175.1-70.2-176.2178.7178.20112G155 R161G155-K157 PolarHBondContact O-N 3.42Å; K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CG 3.31Å; K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 3.32Å
158R74.3Confident70.7Confident190 Ų190128.1 Ų128.172%0.71760%0.6SS**Hα-helixtrans-69-45.4176.5-69.1-173.5-179.6-169.40.6110.8G155 D156 M160 R161 H162G155-R158 PolarHBondContact O-N 2.91Å; D156-R158 VanDerWaalsContact C-N 3.34Å; D156-R158 PolarHBondContact O-N 2.93Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.16Å; R158-R161 PolarHBondContact O-N 3.42Å; R158-H162 PolarHBondContact O-CD2 3.08Å; R158-H162 PolarHBondContact O-N 2.93Å
159R75.2Confident72.4Confident183 Ų183130.2 Ų130.269%0.69160%0.603SS**Hα-helixtrans-60.5-42.3176.7-170.8171.9178.5-98.91.3111.9G155 D156 H162 R163G155-R159 PolarHBondContact O-N 3.38Å; G155-R159 VanDerWaalsContact O-N 3.1Å; D156-R159 PolarHBondContact O-N 3.46Å; R159-H162 PolarHBondContact O-N 2.95Å; R159-R163 WeakPolarHBondContact O-CB 3.41Å; R159-R163 PolarHBondContact O-N 2.94Å
160M77.4Confident74.3Confident104 Ų104132.1 Ų132.151%0.51260%0.6SS.*Hα-helixtrans-68.8-37.2178.1-162.8164.1-164.300112.6D156 R158 R163 R164D156-M160 VanDerWaalsContact O-CB 3.31Å; D156-M160 WeakPolarHBondContact O-CB 3.48Å; D156-M160 PolarHBondContact O-N 3.01Å; R158-M160 VanDerWaalsContact C-N 3.33Å; R158-M160 PolarHBondContact O-N 3.16Å; M160-R163 PolarHBondContact O-N 3.39Å; M160-R164 WeakPolarHBondContact O-CG 3.41Å; M160-R164 PolarHBondContact O-N 2.77Å
161R79.9Confident76.1Confident175 Ų175132.8 Ų132.866%0.6659%0.594SS**Hα-helixtrans-60.8-50.5170.8-78.8177.6177.8-93.60.5111.5K157 R158 R163 R164 E165K157-R161 WeakPolarHBondContact O-CB 3.46Å; K157-R161 VanDerWaalsContact O-CG 3.31Å; K157-R161 WeakPolarHBondContact O-CG 3.42Å; K157-R161 PolarHBondContact O-N 3.32Å; R158-R161 PolarHBondContact O-N 3.42Å; R161-R163 VanDerWaalsContact C-N 3.29Å; R161-R163 PolarHBondContact O-N 3.34Å; R161-R164 PolarHBondContact O-N 3.29Å; R161-E165 WeakPolarHBondContact O-CB 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 2.92Å
162H81.9Confident77.9Confident112 Ų112130.6 Ų130.652%0.51959%0.586SS.*Hα-helixtrans-61-36.6176.8-73.1-52.2000113R158 R159 E165 R166R158-H162 PolarHBondContact O-CD2 3.08Å; R158-H162 PolarHBondContact O-N 2.93Å; R159-H162 PolarHBondContact O-N 2.95Å; H162-E165 IonicContact ND1-OE2 3.92Å; H162-R166 PolarHBondContact O-N 3.24Å
163R85.6Confident79.9Confident157 Ų157126 Ų12659%0.59258%0.576SS**Hα-helixtrans-65.5-44.7174.8-166.7-173.4177.4-156.7-1.1111.8R159 M160 R161 R166 M167R159-R163 WeakPolarHBondContact O-CB 3.41Å; R159-R163 PolarHBondContact O-N 2.94Å; M160-R163 PolarHBondContact O-N 3.39Å; R161-R163 VanDerWaalsContact C-N 3.29Å; R161-R163 PolarHBondContact O-N 3.34Å; R163-R166 PolarHBondContact O-N 2.86Å; R163-M167 HydrophobicContact CG-CE 3.81Å; R163-M167 PolarHBondContact O-N 3.27Å; R163-M167 VanDerWaalsContact O-N 3.1Å
164R85.9Confident81.5Confident157 Ų157124.4 Ų124.459%0.59256%0.56SS**Hα-helixtrans-63.6-42.8175.3-75.3-178.6178.4-169.50.1111.9M160 R161 R166 M167 M168M160-R164 WeakPolarHBondContact O-CG 3.41Å; M160-R164 PolarHBondContact O-N 2.77Å; R161-R164 PolarHBondContact O-N 3.29Å; R164-R166 PolarHBondContact O-N 3.32Å; R164-M167 PolarHBondContact O-N 2.97Å; R164-M168 WeakPolarHBondContact O-CG 3.41Å; R164-M168 PolarHBondContact O-N 3.27Å
165E87.5Confident83Confident68 Ų68131 Ų13132%0.31857%0.571SS.*Hα-helixtrans-62.4-40.6176.2-74.4171.2-164.900112.5R161 H162 M168 R169R161-E165 WeakPolarHBondContact O-CB 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.39Å; R161-E165 PolarHBondContact O-N 2.92Å; H162-E165 IonicContact ND1-OE2 3.92Å; E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 PolarHBondContact O-N 3.44Å; E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.24Å; E165-R169 IonicContact OE2-NH1 3.51Å
166R87.5Confident84.3Confident162 Ų162131.6 Ų131.661%0.61157%0.574SS**Hα-helixtrans-61.2-48.7173.4-80.9-160.1-74.1-177.4-3.2111.7H162 R163 R164 M168 R169 E170H162-R166 PolarHBondContact O-N 3.24Å; R163-R166 PolarHBondContact O-N 2.86Å; R164-R166 PolarHBondContact O-N 3.32Å; R166-M168 VanDerWaalsContact C-N 3.34Å; R166-M168 PolarHBondContact O-N 2.82Å; R166-R169 PolarHBondContact O-N 2.87Å; R166-R169 VanDerWaalsContact O-N 3.16Å; R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 2.86Å
167M86.5Confident85.4Confident87 Ų87133.7 Ų133.743%0.42957%0.573SS.*Hα-helixtrans-59.4-42.1176.4-76.4-171.4-99.600112.5R163 R164 R169 E170 V171R163-M167 HydrophobicContact CG-CE 3.81Å; R163-M167 PolarHBondContact O-N 3.27Å; R163-M167 VanDerWaalsContact O-N 3.1Å; R164-M167 PolarHBondContact O-N 2.97Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 3.16Å; M167-E170 PolarHBondContact O-N 3.08Å; M167-V171 VanDerWaalsContact O-CG2 3.28Å; M167-V171 WeakPolarHBondContact O-CG2 3.22Å; M167-V171 PolarHBondContact O-N 3.3Å
168M87.1Confident86.2Confident126 Ų126131.2 Ų131.262%0.62156%0.564SS**Hα-helixtrans-64.1-38.4176.8-72.2-169.2-60.500112.5R164 E165 R166 W172R164-M168 WeakPolarHBondContact O-CG 3.41Å; R164-M168 PolarHBondContact O-N 3.27Å; E165-M168 HydrophobicContact CG-CE 4.35Å; E165-M168 PolarHBondContact O-N 3.44Å; R166-M168 VanDerWaalsContact C-N 3.34Å; R166-M168 PolarHBondContact O-N 2.82Å; M168-W172 WeakPolarHBondContact O-CB 3.28Å; M168-W172 PolarHBondContact O-N 3.24Å
169R88.2Confident86.6Confident150 Ų150127.7 Ų127.757%0.56656%0.557SS**Hα-helixtrans-65.2-44.2174.8-74.6-176.3-174.9102.3-0.2111.6E165 R166 M167 W172 L173E165-R169 WeakPolarHBondContact O-CG 3.42Å; E165-R169 PolarHBondContact O-N 3.24Å; E165-R169 IonicContact OE2-NH1 3.51Å; R166-R169 PolarHBondContact O-N 2.87Å; R166-R169 VanDerWaalsContact O-N 3.16Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 3.16Å; R169-W172 PolarHBondContact O-N 3.36Å; R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.3Å
170E88.3Confident86.9Confident113 Ų113124.7 Ų124.753%0.52855%0.546SS..Hα-helixtrans-60.6-47176.7-72.2167.7-169.100111.1R166 M167 W172 L173 D174R166-E170 WeakPolarHBondContact O-CG 3.32Å; R166-E170 PolarHBondContact O-N 2.86Å; M167-E170 PolarHBondContact O-N 3.08Å; E170-W172 VanDerWaalsContact C-N 3.33Å; E170-W172 PolarHBondContact O-N 3.42Å; E170-L173 PolarHBondContact O-N 2.83Å; E170-D174 PolarHBondContact O-N 2.83Å
171V92Very high87.3Confident99 Ų99125.8 Ų125.860%0.655%0.547SS*.Hα-helixtrans-61.3-40.3175.6171.70000112M167 R175M167-V171 VanDerWaalsContact O-CG2 3.28Å; M167-V171 WeakPolarHBondContact O-CG2 3.22Å; M167-V171 PolarHBondContact O-N 3.3Å; V171-R175 WeakPolarHBondContact O-CB 3.45Å; V171-R175 PolarHBondContact O-N 2.95Å; V171-R175 VanDerWaalsContact O-N 3.08Å
172W93.4Very high87.4Confident174 Ų174122.7 Ų122.766%0.65954%0.541SS*.Hα-helixtrans-66.1-43176.5179.589000111.9M168 R169 E170 R175 A176M168-W172 WeakPolarHBondContact O-CB 3.28Å; M168-W172 PolarHBondContact O-N 3.24Å; R169-W172 PolarHBondContact O-N 3.36Å; E170-W172 VanDerWaalsContact C-N 3.33Å; E170-W172 PolarHBondContact O-N 3.42Å; W172-R175 PolarHBondContact O-N 3.34Å; W172-A176 HydrophobicContact CH2-CB 4.5Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.31Å
173L89.6Confident87Confident99 Ų99124 Ų12452%0.51854%0.541SS..Hα-helixtrans-62.1-44.9177-76.2170.1000111.4R169 E170 R175 A176 W177R169-L173 WeakPolarHBondContact O-CB 3.35Å; R169-L173 WeakPolarHBondContact O-CG 3.45Å; R169-L173 PolarHBondContact O-N 3.3Å; E170-L173 PolarHBondContact O-N 2.83Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 3.37Å; L173-A176 PolarHBondContact O-N 2.82Å; L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.35Å; L173-W177 PolarHBondContact O-N 3.16Å
174D90.9Very high86.5Confident105 Ų105124.8 Ų124.856%0.56154%0.544SS*.Hα-helixtrans-59.2-44.8175.8-86-6.3000111.5E170 W177 Q178E170-D174 PolarHBondContact O-N 2.83Å; D174-W177 PolarHBondContact O-N 3.24Å; D174-Q178 WeakPolarHBondContact O-CB 2.89Å; D174-Q178 VanDerWaalsContact O-CG 3.29Å; D174-Q178 WeakPolarHBondContact O-CG 3.33Å; D174-Q178 PolarHBondContact O-N 2.97Å
175R91.1Very high86.2Confident182 Ų182123 Ų12369%0.68754%0.542SS*.Hα-helixtrans-66.4-42.9177.9-169.6173.8-176.9177.40.4112V171 W172 L173 W177 Q178 M179V171-R175 WeakPolarHBondContact O-CB 3.45Å; V171-R175 PolarHBondContact O-N 2.95Å; V171-R175 VanDerWaalsContact O-N 3.08Å; W172-R175 PolarHBondContact O-N 3.34Å; L173-R175 VanDerWaalsContact C-N 3.33Å; L173-R175 PolarHBondContact O-N 3.37Å; R175-W177 VanDerWaalsContact C-N 3.32Å; R175-W177 PolarHBondContact O-N 3.13Å; R175-Q178 PolarHBondContact O-N 2.93Å; R175-M179 VanDerWaalsContact O-CG 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.48Å; R175-M179 PolarHBondContact O-N 3.02Å
176A87.1Confident85.5Confident39 Ų39126.7 Ų126.732%0.32256%0.561SS.*Hα-helixtrans-61.5-42.9176.500000111W172 L173 M179 R180W172-A176 HydrophobicContact CH2-CB 4.5Å; W172-A176 WeakPolarHBondContact O-CB 3.44Å; W172-A176 PolarHBondContact O-N 3.31Å; L173-A176 PolarHBondContact O-N 2.82Å; A176-M179 PolarHBondContact O-N 3.3Å; A176-R180 WeakPolarHBondContact O-CB 3.27Å; A176-R180 PolarHBondContact O-N 3.12Å
177W88Confident84.4Confident160 Ų160122.5 Ų122.561%0.60655%0.551SS**Hα-helixtrans-66.3-41.4177.5-169.886.3000112.3L173 D174 R175 R180 K181L173-W177 VanDerWaalsContact O-CB 3.27Å; L173-W177 WeakPolarHBondContact O-CB 3.35Å; L173-W177 PolarHBondContact O-N 3.16Å; D174-W177 PolarHBondContact O-N 3.24Å; R175-W177 VanDerWaalsContact C-N 3.32Å; R175-W177 PolarHBondContact O-N 3.13Å; W177-R180 PolarHBondContact O-N 3.36Å; W177-K181 HydrophobicContact CH2-CD 3.95Å; W177-K181 HydrophobicContact CZ3-CD 3.9Å; W177-K181 WeakPolarHBondContact O-CB 3.11Å; W177-K181 PolarHBondContact O-N 3.42Å
178Q92.3Very high83.3Confident113 Ų113125.3 Ų125.353%0.52857%0.565SS.*Hα-helixtrans-61.2-46.1173.1-76178.311.800112.1D174 R175 R180 K181 Q182D174-Q178 WeakPolarHBondContact O-CB 2.89Å; D174-Q178 VanDerWaalsContact O-CG 3.29Å; D174-Q178 WeakPolarHBondContact O-CG 3.33Å; D174-Q178 PolarHBondContact O-N 2.97Å; R175-Q178 PolarHBondContact O-N 2.93Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 3.46Å; Q178-K181 PolarHBondContact O-N 2.95Å; Q178-Q182 WeakPolarHBondContact O-CG 3.28Å; Q178-Q182 PolarHBondContact O-N 3.38Å
179M82.6Confident82.2Confident117 Ų117127.2 Ų127.258%0.57657%0.572SS**Hα-helixtrans-61-41.6176.7-70-73.1-84.900111.1R175 A176 Q182 R183R175-M179 VanDerWaalsContact O-CG 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.48Å; R175-M179 PolarHBondContact O-N 3.02Å; A176-M179 PolarHBondContact O-N 3.3Å; M179-Q182 PolarHBondContact O-N 2.89Å; M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 PolarHBondContact O-N 3.43Å
180R82.8Confident80.2Confident119 Ų119121.9 Ų121.945%0.44956%0.564SS.*Hα-helixtrans-63.1-42.7175.2-175.8175.3177.3127.28.6112A176 W177 Q178 R183 R184 D219 E221A176-R180 WeakPolarHBondContact O-CB 3.27Å; A176-R180 PolarHBondContact O-N 3.12Å; W177-R180 PolarHBondContact O-N 3.36Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 3.46Å; R180-R183 PolarHBondContact O-N 3.41Å; R180-R184 WeakPolarHBondContact O-CB 3.47Å; R180-R184 PolarHBondContact O-N 3.41Å; R180-D219 IonicContact CZ-OD2 3.62Å; R180-D219 IonicContact NH1-OD2 3.94Å; R180-D219 IonicContact NH2-OD2 3.25Å; R180-D219 PolarHBondContact NH2-OD2 3.13Å; R180-E221 IonicContact NH1-OE2 2.55Å; R180-E221 PolarHBondContact NH1-OE2 3.22Å
181K85.6Confident77.9Confident127 Ų127126.9 Ų126.955%0.55259%0.587SS**Hα-helixtrans-63.8-43.5176.1-170.8175.8-179.2178.50111.6W177 Q178 R184 Q185W177-K181 HydrophobicContact CH2-CD 3.95Å; W177-K181 HydrophobicContact CZ3-CD 3.9Å; W177-K181 WeakPolarHBondContact O-CB 3.11Å; W177-K181 PolarHBondContact O-N 3.42Å; Q178-K181 PolarHBondContact O-N 2.95Å; K181-R184 PolarHBondContact O-N 3.38Å; K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 3.49Å
182Q81.3Confident75.6Confident111 Ų111124.4 Ų124.452%0.51958%0.582SS.*Hα-helixtrans-62.2-44.3173.7-75.3-176.6-0.700111.7Q178 M179 R184 Q185 M186Q178-Q182 WeakPolarHBondContact O-CG 3.28Å; Q178-Q182 PolarHBondContact O-N 3.38Å; M179-Q182 PolarHBondContact O-N 2.89Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.15Å; Q182-M186 VanDerWaalsContact O-CG 3.27Å; Q182-M186 WeakPolarHBondContact O-CG 3.22Å; Q182-M186 PolarHBondContact O-N 3.24Å
183R74.9Confident73.3Confident140 Ų140122.7 Ų122.753%0.52859%0.585SS.*Hα-helixtrans-59.2-43.1175.1-172.7179.3-178-117.55.7111.4M179 R180 Q185 M186 L187 A195M179-R183 WeakPolarHBondContact O-CB 3.47Å; M179-R183 PolarHBondContact O-N 3.43Å; R180-R183 PolarHBondContact O-N 3.41Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; R183-M186 PolarHBondContact O-N 2.99Å; R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CB 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.41Å; R183-L187 WeakPolarHBondContact O-CG 3.45Å; R183-L187 PolarHBondContact O-N 3.18Å; R183-A195 VanDerWaalsContact NH2-CB 3.34Å
184R74.7Confident71.1Confident172 Ų172121.5 Ų121.565%0.64960%0.596SS**Hα-helixtrans-65.5-37.2176-167173.5-177.2-114.33.5112.2R180 K181 Q182 L187 M188R180-R184 WeakPolarHBondContact O-CB 3.47Å; R180-R184 PolarHBondContact O-N 3.41Å; K181-R184 PolarHBondContact O-N 3.38Å; Q182-R184 VanDerWaalsContact C-N 3.31Å; Q182-R184 PolarHBondContact O-N 2.86Å; R184-L187 PolarHBondContact O-N 3.27Å; R184-M188 VanDerWaalsContact O-CG 3.32Å; R184-M188 WeakPolarHBondContact O-CG 3.29Å; R184-M188 PolarHBondContact O-N 3.39Å
185Q78.8Confident68.9Low119 Ų119118 Ų11856%0.55658%0.582SS**Hα-helixtrans-67-41.5175-169.5171.22200111.9K181 Q182 R183 M188 Q189K181-Q185 WeakPolarHBondContact O-CB 3.4Å; K181-Q185 PolarHBondContact O-N 3.49Å; Q182-Q185 WeakPolarHBondContact O-CB 3.39Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.15Å; R183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-M188 PolarHBondContact O-N 3.21Å; Q185-Q189 PolarHBondContact O-N 2.91Å; Q185-Q189 VanDerWaalsContact O-N 3.09Å
186M72.4Confident67Low146 Ų146116.8 Ų116.872%0.71959%0.589SS**Hα-helixtrans-62.6-44173-69.1-93.4-162.100111.5Q182 R183 M188 Q189 G190Q182-M186 VanDerWaalsContact O-CG 3.27Å; Q182-M186 WeakPolarHBondContact O-CG 3.22Å; Q182-M186 PolarHBondContact O-N 3.24Å; R183-M186 PolarHBondContact O-N 2.99Å; M186-M188 VanDerWaalsContact C-N 3.26Å; M186-M188 PolarHBondContact O-N 2.87Å; M186-Q189 PolarHBondContact O-N 2.55Å; M186-G190 PolarHBondContact O-N 2.81Å
187L65.1Low65.4Low75 Ų75117.2 Ų117.239%0.39359%0.593SS.*Hα-helixtrans-63.3-29.4176-80.2157.9000113R183 R184 A195R183-L187 HydrophobicContact CG-CD1 3.98Å; R183-L187 WeakPolarHBondContact O-CB 3.29Å; R183-L187 WeakPolarHBondContact O-CD1 3.41Å; R183-L187 WeakPolarHBondContact O-CG 3.45Å; R183-L187 PolarHBondContact O-N 3.18Å; R184-L187 PolarHBondContact O-N 3.27Å; L187-A195 HydrophobicContact CD1-CB 3.93Å; L187-A195 HydrophobicContact CD2-CB 3.78Å
188M62.8Low64Low146 Ų146111.4 Ų111.472%0.71958%0.575SS**Hα-helixtrans-81.5-26.4175.8-75.5-110176.900113.2R184 Q185 M186R184-M188 VanDerWaalsContact O-CG 3.32Å; R184-M188 WeakPolarHBondContact O-CG 3.29Å; R184-M188 PolarHBondContact O-N 3.39Å; Q185-M188 PolarHBondContact O-N 3.21Å; M186-M188 VanDerWaalsContact C-N 3.26Å; M186-M188 PolarHBondContact O-N 2.87Å
189Q63.6Low62.3Low166 Ų166108.2 Ų108.278%0.77656%0.563SS**Hα-helixtrans-89.8-28.3177.2-81-172.71400113.7Q185 M186Q185-Q189 PolarHBondContact O-N 2.91Å; Q185-Q189 VanDerWaalsContact O-N 3.09Å; M186-Q189 PolarHBondContact O-N 2.55Å
190G46.5Very low61.4Low38 Ų38102.7 Ų102.739%0.39254%0.536SS..SBendtrans-94.3119174.600000111.1M186 G192M186-G190 PolarHBondContact O-N 2.81Å; G190-G192 PolarHBondContact O-N 3.39Å
191Q41.4Very low60.5Low217 Ų21798.2 Ų98.2100%1.01452%0.522SS*.  trans-5885.1152.7-79.6171.4-78.900107.7
192G43Very low59.5Low48 Ų4892.7 Ų92.750%0.49550%0.499SS..  trans-144.9100.2-170.200000109.7G190 G194G190-G192 PolarHBondContact O-N 3.39Å; G192-G194 PolarHBondContact O-N 2.77Å
193L45.7Very low58.6Low138 Ų13887.9 Ų87.972%0.72348%0.477SS*.  trans-42.8129178.5-66.4152.2000113.1
194G42.3Very low57.8Low73 Ų7383.8 Ų83.875%0.75347%0.473SS*.  trans77.158.7140.200000118G192 D196G192-G194 PolarHBondContact O-N 2.77Å; G194-D196 PolarHBondContact O-N 3.35Å
195A45.7Very low56.9Low32 Ų3278 Ų7826%0.26446%0.463SS..  trans-72.6120.3153.300000108.9R183 L187 A197R183-A195 VanDerWaalsContact NH2-CB 3.34Å; L187-A195 HydrophobicContact CD1-CB 3.93Å; L187-A195 HydrophobicContact CD2-CB 3.78Å; A195-A197 PolarHBondContact O-N 2.78Å
196D50.7Low55.5Low156 Ų15675.3 Ų75.383%0.83446%0.461SS*.SBendtrans-4955.4173.5-171.237.3000115.5G194G194-D196 PolarHBondContact O-N 3.35Å
197A53.8Low54.1Low49 Ų4973.3 Ų73.341%0.40547%0.467SS..  trans-125.991.417500000107.4A195 T199A195-A197 PolarHBondContact O-N 2.78Å; A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.39Å
198V57.6Low52.8Low38 Ų3873.7 Ų73.723%0.2349%0.489CS..  trans-64.799.2168.1-179.40000107I241V198-I241 HydrophobicContact CG1-CG2 4.05Å
199T58Low51.5Low46 Ų4668.9 Ų68.928%0.28248%0.477SS..PPolyproline II helixtrans-80.7119.6169.955.50000107.8A197 M218 P242A197-T199 VanDerWaalsContact C-N 3.34Å; A197-T199 PolarHBondContact O-N 3.39Å; T199-M218 CarbonylContact C-O 3.51Å; T199-P242 WeakPolarHBondContact O-CD 3.24Å; T199-P242 WeakPolarHBondContact O-CG 3.35Å
200V62.6Low50.6Low0 Ų070.5 Ų70.50%048%0.484CS..EExtended strand (participates in β ladder)trans-88.9127.6173.5169.20000108.5V202 A217 M218 M223 V239V200-V202 HydrophobicContact CG1-CG2 4.08Å; V200-A217 CarbonylContact O-C 3.57Å; V200-A217 WeakPolarHBondContact O-CA 3.33Å; V200-M218 PolarHBondContact N-O 3.4Å; V200-M218 PolarHBondContact O-N 3.01Å; V200-M223 HydrophobicContact CB-CE 3.89Å; V200-M223 HydrophobicContact CB-SD 4.13Å; V200-M223 HydrophobicContact CG1-CE 4.39Å; V200-M223 HydrophobicContact CG1-SD 4.08Å; V200-M223 HydrophobicContact CG2-CE 3.62Å; V200-M223 HydrophobicContact CG2-SD 4.39Å; V200-V239 HydrophobicContact CG1-CB 4.05Å; V200-V239 HydrophobicContact CG1-CG1 3.37Å; V200-V239 HydrophobicContact CG1-CG2 3.97Å
201V65Low50.6Low26 Ų2672.8 Ų72.816%0.15849%0.494CS..EExtended strand (participates in β ladder)trans-89.1117171.5-177.90000107.8A217 E240 P242V201-A217 HydrophobicContact CG2-CB 4.3Å; V201-E240 HydrophobicContact CB-CB 4.46Å; V201-E240 PolarHBondContact N-O 3.34Å; V201-E240 PolarHBondContact O-N 2.87Å; V201-P242 HydrophobicContact CG2-CG 4.24Å
202V64Low50.9Low11 Ų1168.4 Ų68.47%0.06749%0.485CS..EExtended strand (participates in β ladder)trans-99.4116.9174.3-1770000108.4V200 G215 V216 M218 L233 W237 V239V200-V202 HydrophobicContact CG1-CG2 4.08Å; V202-G215 CarbonylContact O-C 3.49Å; V202-G215 WeakPolarHBondContact O-CA 3.27Å; V202-V216 PolarHBondContact N-O 2.91Å; V202-V216 PolarHBondContact O-N 3.45Å; V202-M218 HydrophobicContact CG2-SD 4.33Å; V202-L233 HydrophobicContact CB-CD2 4.27Å; V202-L233 HydrophobicContact CG1-CD2 3.59Å; V202-L233 HydrophobicContact CG2-CD2 3.83Å; V202-W237 HydrophobicContact CG1-CB 3.83Å; V202-W237 HydrophobicContact CG1-CD2 4.02Å; V202-W237 HydrophobicContact CG1-CE3 3.52Å; V202-W237 HydrophobicContact CG1-CG 4.18Å; V202-W237 HydrophobicContact CG1-CZ3 4.38Å; V202-V239 HydrophobicContact CG2-CG2 4.34Å
203S62.3Low51.4Low10 Ų1068.3 Ų68.37%0.0748%0.479CS..EExtended strand (participates in β ladder)trans-117.9134.2178.4-64.70000110.5G215 W237 T238S203-G215 WeakPolarHBondContact OG-CA 3.31Å; S203-W237 CarbonylContact O-C 3.56Å; S203-W237 VanDerWaalsContact O-CA 3.26Å; S203-W237 WeakPolarHBondContact O-CA 3.48Å; S203-T238 PolarHBondContact N-O 2.85Å; S203-T238 PolarHBondContact O-N 3.01Å
204A58.1Low51.9Low53 Ų5373.4 Ų73.444%0.43849%0.489SS..EExtended strand (participates in β ladder)trans-67.4132.6168.300000109.3A206A204-A206 PolarHBondContact O-N 2.88Å
205A54.8Low52.9Low52 Ų5271.4 Ų71.443%0.4347%0.468SS..  trans-61.5103.517400000109.1A207 D236A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 2.95Å; A205-D236 HydrophobicContact CB-CB 4.26Å; A205-D236 WeakPolarHBondContact CB-O 3.19Å; A205-D236 PolarHBondContact N-O 2.85Å
206A50.7Low54Low62 Ų6273.8 Ų73.851%0.51248%0.479SS..  trans-63100.216700000107.6A204 G208A204-A206 PolarHBondContact O-N 2.88Å; A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.84Å
207A43.4Very low54.9Low104 Ų10469.2 Ų69.286%0.8646%0.463SS*.SBendtrans-61.594.4164.400000107.9A205A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 2.95Å
208G36.2Very low55.7Low82 Ų8268.8 Ų68.885%0.84545%0.453SS*.SBendtrans68.986.317000000114.3A206A206-G208 VanDerWaalsContact C-N 3.28Å; A206-G208 PolarHBondContact O-N 2.84Å
209G36.9Very low56.7Low45 Ų4567.7 Ų67.746%0.46445%0.446SS..  trans173.1115.7168.500000110.6S211G209-S211 PolarHBondContact O-N 2.88Å
210E45Very low57.2Low201 Ų20171 Ų7194%0.93946%0.459SS*.  trans-52.472.7160.833.3166.67500110.4
211S45Very low57.9Low86 Ų8677.1 Ų77.160%0.60149%0.488SS*.SBendtrans-143.3127.6172.2-67.30000105.4G209 A213G209-S211 PolarHBondContact O-N 2.88Å; S211-A213 PolarHBondContact O-N 2.88Å
212P48.6Very low58.7Low125 Ų12580 Ų8081%0.81250%0.5SS*.  trans-58.3109.9178.524.8-31.6000106.5R214P212-R214 PolarHBondContact O-N 2.95Å
213A52.5Low59.2Low45 Ų4580.6 Ų80.637%0.37250%0.502SS..  trans-50120.6173.800000106S211 G215S211-A213 PolarHBondContact O-N 2.88Å; A213-G215 PolarHBondContact O-N 2.77Å
214R56.7Low59.9Low246 Ų24687.2 Ų87.293%0.92853%0.526SS*.  trans-67.483176-87.8-170.5172.7161.7-1107.1P212P212-R214 PolarHBondContact O-N 2.95Å
215G63.6Low60.9Low30 Ų3086.8 Ų86.831%0.30952%0.522SS..PPolyproline II helixtrans-68.5137.317400000109.8V202 S203 A213V202-G215 CarbonylContact O-C 3.49Å; V202-G215 WeakPolarHBondContact O-CA 3.27Å; S203-G215 WeakPolarHBondContact OG-CA 3.31Å; A213-G215 PolarHBondContact O-N 2.77Å
216V68.5Low62.1Low83 Ų8385.5 Ų85.550%0.50351%0.509SS..EExtended strand (participates in β ladder)trans-93.6118.7171.7-1760000107.2V202 M218V202-V216 PolarHBondContact N-O 2.91Å; V202-V216 PolarHBondContact O-N 3.45Å; V216-M218 HydrophobicContact CG1-CE 4.02Å; V216-M218 HydrophobicContact CG1-CG 3.94Å; V216-M218 PolarHBondContact O-N 3.46Å
217A70.5Confident63.5Low60 Ų6088.7 Ų88.750%0.49651%0.508SS..EExtended strand (participates in β ladder)trans-74.2117.7169.600000108.6V200 V201V200-A217 CarbonylContact O-C 3.57Å; V200-A217 WeakPolarHBondContact O-CA 3.33Å; V201-A217 HydrophobicContact CG2-CB 4.3Å
218M70.6Confident65.4Low40 Ų4088.8 Ų88.820%0.19749%0.494CS..EExtended strand (participates in β ladder)trans-121.7140.5177.8-67.8179.7160.300109.8T199 V200 V202 V216 E222 M223T199-M218 CarbonylContact C-O 3.51Å; V200-M218 PolarHBondContact N-O 3.4Å; V200-M218 PolarHBondContact O-N 3.01Å; V202-M218 HydrophobicContact CG2-SD 4.33Å; V216-M218 HydrophobicContact CG1-CE 4.02Å; V216-M218 HydrophobicContact CG1-CG 3.94Å; V216-M218 PolarHBondContact O-N 3.46Å; M218-E222 VanDerWaalsContact CA-OE2 3.24Å; M218-E222 WeakPolarHBondContact CA-OE2 3.5Å; M218-E222 HydrophobicContact CB-CB 4.24Å; M218-M223 HydrophobicContact CB-CG 4.12Å
219D78.6Confident67.7Low14 Ų1491.3 Ų91.38%0.07549%0.487CS..  trans-83.4174.9167.76951.7000112.4R180 E221 E222 M223R180-D219 IonicContact CZ-OD2 3.62Å; R180-D219 IonicContact NH1-OD2 3.94Å; R180-D219 IonicContact NH2-OD2 3.25Å; R180-D219 PolarHBondContact NH2-OD2 3.13Å; D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.95Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.02Å; D219-E221 VanDerWaalsContact OD1-CB 3.27Å; D219-E221 WeakPolarHBondContact OD1-CB 3.39Å; D219-E221 PolarHBondContact OD1-N 3.31Å; D219-E222 PolarHBondContact N-OE2 3.37Å; D219-E222 PolarHBondContact O-N 2.85Å; D219-E222 WeakPolarHBondContact OD1-CG 3.43Å; D219-E222 PolarHBondContact OD1-N 3.44Å; D219-M223 PolarHBondContact O-N 2.9Å
220M68.1Low69.7Low115 Ų11591.9 Ų91.957%0.56749%0.493SS*.Hα-helixtrans-64.8-29.6-179.4-71.1-67.2-63.500113.9M223 R224 L289M220-M223 HydrophobicContact CG-CE 4.36Å; M220-M223 HydrophobicContact SD-CE 3.33Å; M220-M223 WeakPolarHBondContact SD-CE 3.26Å; M220-R224 WeakPolarHBondContact O-CB 3.47Å; M220-R224 PolarHBondContact O-N 3.48Å; M220-R224 VanDerWaalsContact O-N 3.13Å; M220-L289 HydrophobicContact SD-CD2 4.4Å
221E78Confident70.8Confident130 Ų13087.3 Ų87.361%0.60748%0.475SS*.Hα-helixtrans-75-39.3177.9-175.9178.4-160.500110.1R180 D219 R224 A225R180-E221 IonicContact NH1-OE2 2.55Å; R180-E221 PolarHBondContact NH1-OE2 3.22Å; D219-E221 VanDerWaalsContact C-N 3.29Å; D219-E221 PolarHBondContact O-N 2.95Å; D219-E221 VanDerWaalsContact OD1-CA 3.31Å; D219-E221 WeakPolarHBondContact OD1-CA 3.02Å; D219-E221 VanDerWaalsContact OD1-CB 3.27Å; D219-E221 WeakPolarHBondContact OD1-CB 3.39Å; D219-E221 PolarHBondContact OD1-N 3.31Å; E221-R224 WeakPolarHBondContact O-CB 3.42Å; E221-R224 PolarHBondContact O-N 3.39Å; E221-A225 WeakPolarHBondContact O-CB 3.39Å; E221-A225 PolarHBondContact O-N 2.88Å
222E81.2Confident71.8Confident87 Ų8789.2 Ų89.241%0.40748%0.478SS..Hα-helixtrans-66.2-45.6174.1-70.2173.515300111.6M218 D219 R224 A225 C226M218-E222 VanDerWaalsContact CA-OE2 3.24Å; M218-E222 WeakPolarHBondContact CA-OE2 3.5Å; M218-E222 HydrophobicContact CB-CB 4.24Å; D219-E222 PolarHBondContact N-OE2 3.37Å; D219-E222 PolarHBondContact O-N 2.85Å; D219-E222 WeakPolarHBondContact OD1-CG 3.43Å; D219-E222 PolarHBondContact OD1-N 3.44Å; E222-R224 VanDerWaalsContact C-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; E222-A225 PolarHBondContact O-N 3.45Å; E222-A225 VanDerWaalsContact O-N 3.16Å; E222-C226 PolarHBondContact O-N 2.94Å; E222-C226 PolarHBondContact O-SG 3.31Å; E222-C226 VanDerWaalsContact O-SG 3.37Å
223M75.1Confident72.6Confident23 Ų2386 Ų8611%0.11345%0.454CS..Hα-helixtrans-59.8-38173.1-77.5-165.5-68.800111.9V200 M218 D219 M220 R227 L289V200-M223 HydrophobicContact CB-CE 3.89Å; V200-M223 HydrophobicContact CB-SD 4.13Å; V200-M223 HydrophobicContact CG1-CE 4.39Å; V200-M223 HydrophobicContact CG1-SD 4.08Å; V200-M223 HydrophobicContact CG2-CE 3.62Å; V200-M223 HydrophobicContact CG2-SD 4.39Å; M218-M223 HydrophobicContact CB-CG 4.12Å; D219-M223 PolarHBondContact O-N 2.9Å; M220-M223 HydrophobicContact CG-CE 4.36Å; M220-M223 HydrophobicContact SD-CE 3.33Å; M220-M223 WeakPolarHBondContact SD-CE 3.26Å; M223-R227 PolarHBondContact O-N 2.88Å; M223-R227 VanDerWaalsContact O-N 3.16Å; M223-L289 HydrophobicContact CE-CD2 4.39Å
224R76.1Confident73Confident149 Ų14986.4 Ų86.456%0.56245%0.453SS*.Hα-helixtrans-67.1-43.2174.9-168.3-175-158.5-74.91.1111.3M220 E221 E222 R227 D228M220-R224 WeakPolarHBondContact O-CB 3.47Å; M220-R224 PolarHBondContact O-N 3.48Å; M220-R224 VanDerWaalsContact O-N 3.13Å; E221-R224 WeakPolarHBondContact O-CB 3.42Å; E221-R224 PolarHBondContact O-N 3.39Å; E222-R224 VanDerWaalsContact C-N 3.25Å; E222-R224 PolarHBondContact O-N 2.9Å; R224-R227 WeakPolarHBondContact O-CB 3.43Å; R224-R227 PolarHBondContact O-N 2.85Å; R224-D228 IonicContact CZ-OD2 3.52Å; R224-D228 IonicContact NH1-OD1 3.83Å; R224-D228 IonicContact NH1-OD2 2.99Å; R224-D228 PolarHBondContact NH1-OD2 2.72Å; R224-D228 WeakPolarHBondContact O-CB 3.47Å; R224-D228 VanDerWaalsContact O-CG 3.23Å; R224-D228 PolarHBondContact O-N 2.84Å
225A80Confident72.9Confident44 Ų4481.4 Ų81.436%0.36445%0.454SS..Hα-helixtrans-62.9-42.1177.400000112E221 E222 R227 D228 L229E221-A225 WeakPolarHBondContact O-CB 3.39Å; E221-A225 PolarHBondContact O-N 2.88Å; E222-A225 PolarHBondContact O-N 3.45Å; E222-A225 VanDerWaalsContact O-N 3.16Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 3.48Å; A225-D228 PolarHBondContact O-N 2.75Å; A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.22Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.32Å
226C79.7Confident72.5Confident24 Ų2483.9 Ų83.916%0.16246%0.46CS..Hα-helixtrans-58.6-45.1173.7-70.60000111.2E222 L229 G230 L231E222-C226 PolarHBondContact O-N 2.94Å; E222-C226 PolarHBondContact O-SG 3.31Å; E222-C226 VanDerWaalsContact O-SG 3.37Å; C226-L229 PolarHBondContact O-N 3.04Å; C226-G230 PolarHBondContact O-N 2.72Å; C226-L231 HydrophobicContact CB-CB 4.22Å; C226-L231 WeakPolarHBondContact O-CA 3.38Å; C226-L231 WeakPolarHBondContact O-CB 3.46Å; C226-L231 PolarHBondContact O-N 3.01Å
227R79.3Confident72.2Confident130 Ų13084.6 Ų84.649%0.49145%0.454SS..Hα-helixtrans-62.8-45.9175.2-173.3-171.2-71131.8-2.9112.3M223 R224 A225 L229 G230M223-R227 PolarHBondContact O-N 2.88Å; M223-R227 VanDerWaalsContact O-N 3.16Å; R224-R227 WeakPolarHBondContact O-CB 3.43Å; R224-R227 PolarHBondContact O-N 2.85Å; A225-R227 VanDerWaalsContact C-N 3.32Å; A225-R227 PolarHBondContact O-N 3.48Å; R227-L229 PolarHBondContact O-N 3.42Å; R227-G230 PolarHBondContact O-N 3.27Å
228D84.2Confident71.7Confident106 Ų10684.9 Ų84.957%0.56745%0.45SS*.Hα-helixtrans-63.1-26.2-180-70.6-17000111.6R224 A225 G230R224-D228 IonicContact CZ-OD2 3.52Å; R224-D228 IonicContact NH1-OD1 3.83Å; R224-D228 IonicContact NH1-OD2 2.99Å; R224-D228 PolarHBondContact NH1-OD2 2.72Å; R224-D228 WeakPolarHBondContact O-CB 3.47Å; R224-D228 VanDerWaalsContact O-CG 3.23Å; R224-D228 PolarHBondContact O-N 2.84Å; A225-D228 PolarHBondContact O-N 2.75Å; D228-G230 VanDerWaalsContact C-N 3.34Å
229L83.2Confident71.3Confident134 Ų13486.4 Ų86.470%0.70246%0.461SS*.THydrogen-bonded Turntrans-85.50.1173.4-67.2171.3000114A225 C226 R227 L231A225-L229 WeakPolarHBondContact O-CB 3.41Å; A225-L229 VanDerWaalsContact O-CG 3.22Å; A225-L229 WeakPolarHBondContact O-CG 3.19Å; A225-L229 PolarHBondContact O-N 3.32Å; C226-L229 PolarHBondContact O-N 3.04Å; R227-L229 PolarHBondContact O-N 3.42Å; L229-L231 HydrophobicContact CB-CD1 4.46Å; L229-L231 HydrophobicContact CB-CG 4.26Å; L229-L231 PolarHBondContact O-N 2.86Å
230G79.8Confident70.6Confident57 Ų5791.4 Ų91.459%0.58848%0.484SS*.THydrogen-bonded Turntrans71.916.6-176.200000114.1C226 R227 D228 D232C226-G230 PolarHBondContact O-N 2.72Å; R227-G230 PolarHBondContact O-N 3.27Å; D228-G230 VanDerWaalsContact C-N 3.34Å; G230-D232 PolarHBondContact O-N 2.92Å; G230-D232 VanDerWaalsContact O-N 3.08Å
231L67.4Low70.3Confident105 Ų10588.9 Ų88.955%0.5547%0.472SS..  trans-82.976.2169.9-56.6175.8000107.7C226 L229 L233C226-L231 HydrophobicContact CB-CB 4.22Å; C226-L231 WeakPolarHBondContact O-CA 3.38Å; C226-L231 WeakPolarHBondContact O-CB 3.46Å; C226-L231 PolarHBondContact O-N 3.01Å; L229-L231 HydrophobicContact CB-CD1 4.46Å; L229-L231 HydrophobicContact CB-CG 4.26Å; L229-L231 PolarHBondContact O-N 2.86Å; L231-L233 PolarHBondContact O-N 3.44Å
232D66.3Low69.3Low126 Ų12683.3 Ų83.367%0.67445%0.447SS*.  trans-59.9130.2169.3-89.3-36.6000108.7G230 P234G230-D232 PolarHBondContact O-N 2.92Å; G230-D232 VanDerWaalsContact O-N 3.08Å; D232-P234 WeakPolarHBondContact O-CD 3.19Å
233L64.6Low67.6Low58 Ų5883.6 Ų83.630%0.30446%0.458SS..  trans-74.3112.9173.8-68.7108.3000107.8V202 L231 W237V202-L233 HydrophobicContact CB-CD2 4.27Å; V202-L233 HydrophobicContact CG1-CD2 3.59Å; V202-L233 HydrophobicContact CG2-CD2 3.83Å; L231-L233 PolarHBondContact O-N 3.44Å; L233-W237 VanDerWaalsContact CA-CE3 3.43Å; L233-W237 HydrophobicContact CB-CD2 4.21Å; L233-W237 HydrophobicContact CB-CE3 3.24Å; L233-W237 HydrophobicContact CB-CZ3 3.51Å; L233-W237 HydrophobicContact CD2-CE3 3.3Å; L233-W237 HydrophobicContact CD2-CZ3 3.44Å; L233-W237 VanDerWaalsContact CD2-CZ3 3.44Å; L233-W237 HydrophobicContact CG-CE3 3.5Å; L233-W237 VanDerWaalsContact CG-CE3 3.5Å; L233-W237 HydrophobicContact CG-CZ3 3.4Å
234P61.7Low66.3Low53 Ų5390.5 Ų90.534%0.34448%0.484SS..  trans-40.4139.9172.3-31.129.9000114.2D232 D236 W237D232-P234 WeakPolarHBondContact O-CD 3.19Å; P234-D236 WeakPolarHBondContact CB-OD1 3.2Å; P234-D236 PolarHBondContact O-N 3.39Å; P234-W237 HydrophobicContact CB-CD2 4.11Å; P234-W237 HydrophobicContact CB-CG 4.18Å; P234-W237 HydrophobicContact CB-CZ2 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.02Å; P234-W237 HydrophobicContact CG-CH2 4.01Å; P234-W237 HydrophobicContact CG-CZ2 3.33Å; P234-W237 VanDerWaalsContact O-CB 3.29Å; P234-W237 WeakPolarHBondContact O-CB 3.47Å; P234-W237 PolarHBondContact O-N 3.36Å
235C53.6Low64.8Low142 Ų14285.8 Ų85.896%0.95948%0.477SS*.THydrogen-bonded Turntrans-63.2-11.5-176.1-56.20000114.3W237C235-W237 VanDerWaalsContact C-N 3.33Å
236D57.1Low63.3Low82 Ų8287.4 Ų87.444%0.43948%0.479SS..THydrogen-bonded Turntrans-88.83.5173.965-48.4000112.8A205 P234A205-D236 HydrophobicContact CB-CB 4.26Å; A205-D236 WeakPolarHBondContact CB-O 3.19Å; A205-D236 PolarHBondContact N-O 2.85Å; P234-D236 WeakPolarHBondContact CB-OD1 3.2Å; P234-D236 PolarHBondContact O-N 3.39Å
237W61.3Low61.7Low97 Ų9790 Ų9037%0.36750%0.497SS..EExtended strand (participates in β ladder)trans-86.6127.3178.3-62.92.8000111.1V202 S203 L233 P234 C235V202-W237 HydrophobicContact CG1-CB 3.83Å; V202-W237 HydrophobicContact CG1-CD2 4.02Å; V202-W237 HydrophobicContact CG1-CE3 3.52Å; V202-W237 HydrophobicContact CG1-CG 4.18Å; V202-W237 HydrophobicContact CG1-CZ3 4.38Å; S203-W237 CarbonylContact O-C 3.56Å; S203-W237 VanDerWaalsContact O-CA 3.26Å; S203-W237 WeakPolarHBondContact O-CA 3.48Å; L233-W237 VanDerWaalsContact CA-CE3 3.43Å; L233-W237 HydrophobicContact CB-CD2 4.21Å; L233-W237 HydrophobicContact CB-CE3 3.24Å; L233-W237 HydrophobicContact CB-CZ3 3.51Å; L233-W237 HydrophobicContact CD2-CE3 3.3Å; L233-W237 HydrophobicContact CD2-CZ3 3.44Å; L233-W237 VanDerWaalsContact CD2-CZ3 3.44Å; L233-W237 HydrophobicContact CG-CE3 3.5Å; L233-W237 VanDerWaalsContact CG-CE3 3.5Å; L233-W237 HydrophobicContact CG-CZ3 3.4Å; P234-W237 HydrophobicContact CB-CD2 4.11Å; P234-W237 HydrophobicContact CB-CG 4.18Å; P234-W237 HydrophobicContact CB-CZ2 4.24Å; P234-W237 HydrophobicContact CG-CD2 4.02Å; P234-W237 HydrophobicContact CG-CH2 4.01Å; P234-W237 HydrophobicContact CG-CZ2 3.33Å; P234-W237 VanDerWaalsContact O-CB 3.29Å; P234-W237 WeakPolarHBondContact O-CB 3.47Å; P234-W237 PolarHBondContact O-N 3.36Å; C235-W237 VanDerWaalsContact C-N 3.33Å
238T59.8Low59.9Low66 Ų6686.4 Ų86.441%0.40550%0.501SS..EExtended strand (participates in β ladder)trans-90.5123.4174.457.30000109.5S203S203-T238 PolarHBondContact N-O 2.85Å; S203-T238 PolarHBondContact O-N 3.01Å
239V62.7Low58Low73 Ų7385.4 Ų85.444%0.44250%0.498SS..EExtended strand (participates in β ladder)trans-89.6105.8172158.30000107.6V200 V202V200-V239 HydrophobicContact CG1-CB 4.05Å; V200-V239 HydrophobicContact CG1-CG1 3.37Å; V200-V239 HydrophobicContact CG1-CG2 3.97Å; V202-V239 HydrophobicContact CG2-CG2 4.34Å
240E62.9Low55.8Low118 Ų11885.8 Ų85.855%0.55150%0.501SS*.EExtended strand (participates in β ladder)trans-102.6123.6174.9-67.4-173.717900109.6V201 P242V201-E240 HydrophobicContact CB-CB 4.46Å; V201-E240 PolarHBondContact N-O 3.34Å; V201-E240 PolarHBondContact O-N 2.87Å; E240-P242 WeakPolarHBondContact O-CD 3.37Å
241I62.3Low54Low63 Ų6387.9 Ų87.932%0.32350%0.502SS..  trans-90.5106.1172-53.9171.8000106.3V198 C243 L289V198-I241 HydrophobicContact CG1-CG2 4.05Å; I241-C243 PolarHBondContact O-N 3.09Å; I241-L289 HydrophobicContact CD1-CD1 3.47Å; I241-L289 VanDerWaalsContact CD1-CD1 3.47Å; I241-L289 HydrophobicContact CG1-CD1 4.12Å
242P56.6Low52.2Low13 Ų1387.6 Ų87.68%0.08452%0.516CS..  trans-59.8116-17917.8-27.4000110.8T199 V201 E240 Y244 A245T199-P242 WeakPolarHBondContact O-CD 3.24Å; T199-P242 WeakPolarHBondContact O-CG 3.35Å; V201-P242 HydrophobicContact CG2-CG 4.24Å; E240-P242 WeakPolarHBondContact O-CD 3.37Å; P242-Y244 HydrophobicContact CB-CD1 3.63Å; P242-Y244 HydrophobicContact CB-CD2 4.36Å; P242-Y244 HydrophobicContact CB-CE1 3.16Å; P242-Y244 HydrophobicContact CB-CE2 3.95Å; P242-Y244 HydrophobicContact CB-CG 4.2Å; P242-Y244 HydrophobicContact CG-CE1 4.27Å; P242-Y244 HydrophobicContact CG-CE2 4.4Å; P242-Y244 PolarHBondContact O-N 3.41Å; P242-A245 HydrophobicContact CG-CB 4.27Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.15Å
243C45.6Very low50.9Low92 Ų9286.5 Ų86.562%0.62252%0.517SS*.G310 helixtrans-59.7-17.9178.9-60.50000113.3I241 L246I241-C243 PolarHBondContact O-N 3.09Å; C243-L246 WeakPolarHBondContact O-CB 3.44Å; C243-L246 PolarHBondContact O-N 3.03Å
244Y48.7Very low49.6Very low169 Ų16988.8 Ų88.866%0.66354%0.539SS*.G310 helixtrans-77.5-19.3173.764.4-100.8000113.3P242 L246 S247P242-Y244 HydrophobicContact CB-CD1 3.63Å; P242-Y244 HydrophobicContact CB-CD2 4.36Å; P242-Y244 HydrophobicContact CB-CE1 3.16Å; P242-Y244 HydrophobicContact CB-CE2 3.95Å; P242-Y244 HydrophobicContact CB-CG 4.2Å; P242-Y244 HydrophobicContact CG-CE1 4.27Å; P242-Y244 HydrophobicContact CG-CE2 4.4Å; P242-Y244 PolarHBondContact O-N 3.41Å; Y244-L246 PolarHBondContact O-N 3.29Å; Y244-S247 WeakPolarHBondContact O-CB 3.46Å; Y244-S247 PolarHBondContact O-N 2.88Å; Y244-S247 VanDerWaalsContact O-N 3.12Å
245A44.8Very low48.2Very low50 Ų5089.9 Ų89.941%0.41356%0.559SS.*G310 helixtrans-69.5-12.1168.400000111.8P242P242-A245 HydrophobicContact CG-CB 4.27Å; P242-A245 WeakPolarHBondContact O-CB 3.49Å; P242-A245 PolarHBondContact O-N 3.15Å
246L47.7Very low47.3Very low77 Ų7786.3 Ų86.340%0.40355%0.547SS..G310 helixtrans-975174.2-48.3173.5000112.3C243 Y244 G248 V249C243-L246 WeakPolarHBondContact O-CB 3.44Å; C243-L246 PolarHBondContact O-N 3.03Å; Y244-L246 PolarHBondContact O-N 3.29Å; L246-G248 PolarHBondContact O-N 3.46Å; L246-V249 PolarHBondContact O-N 2.69Å
247S45.4Very low46.4Very low79 Ų7989.7 Ų89.755%0.55257%0.565SS**THydrogen-bonded Turntrans-65.610.9-175.6-1760000115Y244Y244-S247 WeakPolarHBondContact O-CB 3.46Å; Y244-S247 PolarHBondContact O-N 2.88Å; Y244-S247 VanDerWaalsContact O-N 3.12Å
248G42.7Very low45.4Very low55 Ų5589 Ų8957%0.56758%0.575SS**THydrogen-bonded Turntrans-95.91.4171.400000114.3L246L246-G248 PolarHBondContact O-N 3.46Å
249V42.8Very low44.9Very low84 Ų8491.8 Ų91.851%0.50959%0.594SS.*  trans-100.191.2170.486.50000108.5L246 T251L246-V249 PolarHBondContact O-N 2.69Å; V249-T251 HydrophobicContact CG1-CG2 4.4Å; V249-T251 HydrophobicContact CG2-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.44Å
250D37.7Very low43.8Very low143 Ų14393 Ų9377%0.76561%0.612SS**  trans-67.671.1168.4-73.5-48.9000109.3A252D250-A252 PolarHBondContact O-N 2.91Å
251T42.3Very low42.3Very low100 Ų10092 Ų9261%0.61362%0.617SS**  trans-81.973161.158.30000107.7V249 S253V249-T251 HydrophobicContact CG1-CG2 4.4Å; V249-T251 HydrophobicContact CG2-CG2 4.07Å; V249-T251 PolarHBondContact O-N 3.44Å; T251-S253 PolarHBondContact O-N 3.03Å
252A30.5Very low40.9Very low100 Ų10092.3 Ų92.383%0.82664%0.636SS**  trans-66.482.3166.600000109.3D250D250-A252 PolarHBondContact O-N 2.91Å
253S38.8Very low40.1Very low102 Ų10296 Ų9671%0.71366%0.662SS**  trans-167.3107151.5-156.80000112.4T251T251-S253 PolarHBondContact O-N 3.03Å
254S36.7Very low40.4Very low107 Ų107101.7 Ų101.775%0.74867%0.671SS**  trans39.896.3143.465.70000119.2
255G31.9Very low40.9Very low75 Ų75102 Ų10277%0.77367%0.671SS**SBendtrans81.9117.1138.600000118.1
256G34.2Very low41.6Very low68 Ų68104.2 Ų104.270%0.70168%0.675SS**  trans120.412.2141.200000119.1
257N39.2Very low42Very low152 Ų152104 Ų10481%0.81368%0.68SS**  trans-112.361.5-174.4-46.573.9000111.6
258S41Very low42.7Very low83 Ų83102.7 Ų102.758%0.5867%0.671SS**  trans-64.5134.5164.5-61.50000109A260 S261S258-A260 PolarHBondContact O-N 3.32Å; S258-S261 PolarHBondContact O-N 3.46Å
259P48.2Very low43.3Very low124 Ų124106.9 Ų106.981%0.80569%0.688SS**THydrogen-bonded Turntrans-65.27.2-176.625.2-33.5000115
260A39.5Very low44.7Very low100 Ų100106.7 Ų106.783%0.82670%0.703SS**THydrogen-bonded Turntrans-120.8-5.8-176.400000114.5S258S258-A260 PolarHBondContact O-N 3.32Å
261S32.1Very low46.4Very low95 Ų95102.8 Ų102.866%0.66468%0.682SS**SBendtrans-145.6102.1-171.1-149.80000112.9S258S258-S261 PolarHBondContact O-N 3.46Å
262G31.8Very low48.3Very low70 Ų70103.1 Ų103.172%0.72268%0.68SS**SBendtrans92.1111.9155.400000117.6
263S40.1Very low50.7Low90 Ų90103.3 Ų103.363%0.62967%0.673SS**  trans84.978.9162.5-158.70000118.2R265S263-R265 PolarHBondContact O-N 2.94Å
264W53Low52.6Low213 Ų213106.6 Ų106.681%0.80768%0.675SS**  trans-73.933.3168.2-71.266.4000113.8I266W264-I266 PolarHBondContact O-N 2.99Å
265R59.2Low54.5Low176 Ų176104.7 Ų104.766%0.66466%0.656SS**  trans-77.290.6-173.4-74.4-154.8165.21511.9112.1S263 S267 R279S263-R265 PolarHBondContact O-N 2.94Å; R265-S267 PolarHBondContact O-N 3.33Å; R265-R279 PolarHBondContact O-NH1 3.43Å; R265-R279 PolarHBondContact O-NH2 3.32Å
266I58Low56.5Low95 Ų95103 Ų10349%0.48763%0.631SS.*SBendtrans-41.2-29.2-176.9-5.8175000114.8W264 R279 L280W264-I266 PolarHBondContact O-N 2.99Å; I266-R279 PolarHBondContact O-NH1 2.9Å; I266-L280 HydrophobicContact CG2-CD1 4.47Å
267S56.2Low58.6Low73 Ų73106.2 Ų106.251%0.5163%0.625SS.*  trans-154138.2171.350.70000109.5R265R265-S267 PolarHBondContact O-N 3.33Å
268S61.7Low60.4Low51 Ų51101 Ų10136%0.35760%0.603SS.*  trans-110149.1165.4-55.90000109.6G270 D271S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.12Å; S268-D271 PolarHBondContact N-OD2 3.36Å; S268-D271 WeakPolarHBondContact O-CB 3.24Å; S268-D271 PolarHBondContact O-N 3.32Å
269P53.8Low62.1Low143 Ų143101.4 Ų101.493%0.92959%0.592SS**THydrogen-bonded Turntrans-60.8118.7176.224.3-31.9000109.7
270G73Confident63.8Low81 Ų8199.8 Ų99.884%0.83558%0.576SS**THydrogen-bonded Turntrans103.2-1.4-174.200000115.5S268S268-G270 PolarHBondContact O-N 2.91Å; S268-G270 VanDerWaalsContact O-N 3.12Å
271D74.3Confident65.9Low60 Ų60101.1 Ų101.132%0.32156%0.563SS.*  trans-67.6138170.7-79.1-13.4000110.7S268 V276 R279S268-D271 PolarHBondContact N-OD2 3.36Å; S268-D271 WeakPolarHBondContact O-CB 3.24Å; S268-D271 PolarHBondContact O-N 3.32Å; D271-V276 HydrophobicContact CB-CG2 3.73Å; D271-R279 IonicContact OD2-NH1 2.77Å; D271-R279 PolarHBondContact OD2-NH1 3.06Å
272D81.8Confident67.8Low107 Ų107100.2 Ų100.257%0.57255%0.553SS**  trans-62.1137.5174.5-90.9-36.9000110.6K274 D275 V276D272-K274 PolarHBondContact O-N 2.9Å; D272-K274 VanDerWaalsContact O-N 3.1Å; D272-D275 HydrophobicContact CB-CB 4.39Å; D272-D275 WeakPolarHBondContact O-CB 3.42Å; D272-D275 PolarHBondContact O-N 3.12Å; D272-V276 PolarHBondContact O-N 3.27Å; D272-V276 VanDerWaalsContact O-N 3.08Å
273P80.7Confident70Confident104 Ų104103 Ų10368%0.67554%0.542SS*.Hα-helixtrans-59.9-28.3-178.822.8-33.1000112.4K277P273-K277 WeakPolarHBondContact O-CB 3.41Å; P273-K277 PolarHBondContact O-N 3.07Å
274K78Confident72.1Confident172 Ų172101.2 Ų101.275%0.74853%0.533SS*.Hα-helixtrans-66-41.4174.5-66.8-175.7178.7176.60111.7D272 K277 A278D272-K274 PolarHBondContact O-N 2.9Å; D272-K274 VanDerWaalsContact O-N 3.1Å; K274-K277 PolarHBondContact O-N 3.22Å; K274-A278 WeakPolarHBondContact O-CB 3.27Å; K274-A278 PolarHBondContact O-N 3.49Å
275D75.9Confident73.1Confident67 Ų6795.4 Ų95.436%0.35852%0.515SS..Hα-helixtrans-71.3-41.3-179.5-71.4-6.4000111.1D272 K277 A278 R279D272-D275 HydrophobicContact CB-CB 4.39Å; D272-D275 WeakPolarHBondContact O-CB 3.42Å; D272-D275 PolarHBondContact O-N 3.12Å; D275-K277 VanDerWaalsContact C-N 3.32Å; D275-K277 PolarHBondContact O-N 2.97Å; D275-A278 PolarHBondContact O-N 3.04Å; D275-R279 WeakPolarHBondContact O-CB 3.47Å; D275-R279 WeakPolarHBondContact O-CG 3.4Å; D275-R279 PolarHBondContact O-N 3.26Å
276V75.4Confident73.6Confident39 Ų3989.2 Ų89.224%0.23650%0.501CS..Hα-helixtrans-59.7-44.7173.3179.20000110.7D271 D272 A278 R279 L280D271-V276 HydrophobicContact CB-CG2 3.73Å; D272-V276 PolarHBondContact O-N 3.27Å; D272-V276 VanDerWaalsContact O-N 3.08Å; V276-A278 PolarHBondContact O-N 3.29Å; V276-R279 PolarHBondContact O-N 3.27Å; V276-L280 VanDerWaalsContact O-CB 3.29Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 PolarHBondContact O-N 2.89Å
277K77.2Confident74.4Confident136 Ų13687.8 Ų87.859%0.59150%0.497SS*.Hα-helixtrans-62.7-42.2177.2-174174.5-177.1173.10111.9P273 K274 D275 K281P273-K277 WeakPolarHBondContact O-CB 3.41Å; P273-K277 PolarHBondContact O-N 3.07Å; K274-K277 PolarHBondContact O-N 3.22Å; D275-K277 VanDerWaalsContact C-N 3.32Å; D275-K277 PolarHBondContact O-N 2.97Å; K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 VanDerWaalsContact O-CG 3.31Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.26Å
278A76.7Confident75.3Confident42 Ų4287 Ų8735%0.34750%0.495SS..Hα-helixtrans-62.7-46176.400000111.2K274 D275 V276 K281 V282K274-A278 WeakPolarHBondContact O-CB 3.27Å; K274-A278 PolarHBondContact O-N 3.49Å; D275-A278 PolarHBondContact O-N 3.04Å; V276-A278 PolarHBondContact O-N 3.29Å; A278-K281 WeakPolarHBondContact O-CB 3.32Å; A278-K281 PolarHBondContact O-N 2.84Å; A278-V282 WeakPolarHBondContact O-CG2 3.31Å; A278-V282 PolarHBondContact O-N 3.48Å
279R77.9Confident75.3Confident91 Ų9186.4 Ų86.434%0.34349%0.487SS..Hα-helixtrans-66-40179-67.7171.862.7-157.5-7.1112.7R265 I266 D271 D275 V276 K281 V282 W283R265-R279 PolarHBondContact O-NH1 3.43Å; R265-R279 PolarHBondContact O-NH2 3.32Å; I266-R279 PolarHBondContact O-NH1 2.9Å; D271-R279 IonicContact OD2-NH1 2.77Å; D271-R279 PolarHBondContact OD2-NH1 3.06Å; D275-R279 WeakPolarHBondContact O-CB 3.47Å; D275-R279 WeakPolarHBondContact O-CG 3.4Å; D275-R279 PolarHBondContact O-N 3.26Å; V276-R279 PolarHBondContact O-N 3.27Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-V282 PolarHBondContact O-N 3.23Å; R279-W283 PolarHBondContact O-N 2.81Å
280L84.7Confident75.8Confident91 Ų9182.1 Ų82.148%0.47646%0.464SS..Hα-helixtrans-64.7-39.6175.6-17266.2000111.4I266 V276 W283 A284I266-L280 HydrophobicContact CG2-CD1 4.47Å; V276-L280 VanDerWaalsContact O-CB 3.29Å; V276-L280 WeakPolarHBondContact O-CB 3.33Å; V276-L280 PolarHBondContact O-N 2.89Å; L280-W283 HydrophobicContact CD1-CE3 4.49Å; L280-W283 PolarHBondContact O-N 3.32Å; L280-A284 WeakPolarHBondContact O-CB 3Å; L280-A284 PolarHBondContact O-N 2.61Å
281K82Confident75.5Confident128 Ų12881 Ų8156%0.55744%0.443SS*.Hα-helixtrans-59.4-47.4172.7-79.3178169.3-1690111.7K277 A278 R279 W283 A284 Q285K277-K281 WeakPolarHBondContact O-CB 3.39Å; K277-K281 VanDerWaalsContact O-CG 3.31Å; K277-K281 WeakPolarHBondContact O-CG 3.34Å; K277-K281 PolarHBondContact O-N 3.26Å; A278-K281 WeakPolarHBondContact O-CB 3.32Å; A278-K281 PolarHBondContact O-N 2.84Å; R279-K281 VanDerWaalsContact C-N 3.34Å; K281-W283 VanDerWaalsContact C-N 3.32Å; K281-W283 PolarHBondContact O-N 2.79Å; K281-A284 PolarHBondContact O-N 2.93Å; K281-Q285 WeakPolarHBondContact O-CB 3.34Å; K281-Q285 WeakPolarHBondContact O-CG 3.39Å; K281-Q285 PolarHBondContact O-N 2.76Å
282V71.9Confident74.9Confident75 Ų7580.3 Ų80.346%0.45545%0.446SS..Hα-helixtrans-62.1-41.8177.7173.60000111A278 R279 Q285 A286A278-V282 WeakPolarHBondContact O-CG2 3.31Å; A278-V282 PolarHBondContact O-N 3.48Å; R279-V282 PolarHBondContact O-N 3.23Å; V282-Q285 PolarHBondContact O-N 2.85Å; V282-A286 WeakPolarHBondContact O-CB 3.37Å; V282-A286 PolarHBondContact O-N 3.14Å
283W79.5Confident73.7Confident128 Ų12879.7 Ų79.749%0.48545%0.45SS..Hα-helixtrans-62.9-46.5176.8-173.179.5000111.8R279 L280 K281 Q285 A286 V287R279-W283 PolarHBondContact O-N 2.81Å; L280-W283 HydrophobicContact CD1-CE3 4.49Å; L280-W283 PolarHBondContact O-N 3.32Å; K281-W283 VanDerWaalsContact C-N 3.32Å; K281-W283 PolarHBondContact O-N 2.79Å; W283-Q285 VanDerWaalsContact C-N 3.34Å; W283-Q285 PolarHBondContact O-N 3.38Å; W283-A286 PolarHBondContact O-N 3.1Å; W283-V287 HydrophobicContact CD2-CG2 3.83Å; W283-V287 HydrophobicContact CE3-CG2 4.09Å; W283-V287 HydrophobicContact CG-CG2 4.43Å; W283-V287 HydrophobicContact CH2-CG2 4.01Å; W283-V287 HydrophobicContact CZ2-CG2 3.72Å; W283-V287 HydrophobicContact CZ3-CG2 4.18Å; W283-V287 WeakPolarHBondContact O-CB 3.47Å; W283-V287 VanDerWaalsContact O-CG2 3.24Å; W283-V287 WeakPolarHBondContact O-CG2 3.42Å; W283-V287 PolarHBondContact O-N 3.08Å
284A83.1Confident72.5Confident53 Ų5384.7 Ų84.744%0.43846%0.456SS..Hα-helixtrans-60.9-42.217700000112L280 K281 V287 A288L280-A284 WeakPolarHBondContact O-CB 3Å; L280-A284 PolarHBondContact O-N 2.61Å; K281-A284 PolarHBondContact O-N 2.93Å; A284-V287 PolarHBondContact O-N 2.94Å; A284-A288 WeakPolarHBondContact O-CB 3.29Å; A284-A288 PolarHBondContact O-N 2.9Å
285Q73.8Confident71.1Confident92 Ų9283.9 Ų83.943%0.4346%0.458SS..Hα-helixtrans-62.5-45.4175.3-75.6176.5-28.400111.8K281 V282 W283 A288 L289K281-Q285 WeakPolarHBondContact O-CB 3.34Å; K281-Q285 WeakPolarHBondContact O-CG 3.39Å; K281-Q285 PolarHBondContact O-N 2.76Å; V282-Q285 PolarHBondContact O-N 2.85Å; W283-Q285 VanDerWaalsContact C-N 3.34Å; W283-Q285 PolarHBondContact O-N 3.38Å; Q285-A288 PolarHBondContact O-N 2.94Å; Q285-L289 WeakPolarHBondContact O-CG 3.48Å; Q285-L289 PolarHBondContact O-N 3.39Å
286A71.1Confident69.6Low46 Ų4684.2 Ų84.238%0.3848%0.478SS..Hα-helixtrans-64.1-41.3176.900000112.4V282 W283 L289 A290V282-A286 WeakPolarHBondContact O-CB 3.37Å; V282-A286 PolarHBondContact O-N 3.14Å; W283-A286 PolarHBondContact O-N 3.1Å; A286-L289 PolarHBondContact O-N 3Å; A286-A290 WeakPolarHBondContact O-CB 3.15Å; A286-A290 PolarHBondContact O-N 3.21Å
287V74.6Confident67.9Low65 Ų6591.1 Ų91.139%0.39453%0.528SS..Hα-helixtrans-63.7-39.9175.5170.40000111.2W283 A284 A290 S291W283-V287 HydrophobicContact CD2-CG2 3.83Å; W283-V287 HydrophobicContact CE3-CG2 4.09Å; W283-V287 HydrophobicContact CG-CG2 4.43Å; W283-V287 HydrophobicContact CH2-CG2 4.01Å; W283-V287 HydrophobicContact CZ2-CG2 3.72Å; W283-V287 HydrophobicContact CZ3-CG2 4.18Å; W283-V287 WeakPolarHBondContact O-CB 3.47Å; W283-V287 VanDerWaalsContact O-CG2 3.24Å; W283-V287 WeakPolarHBondContact O-CG2 3.42Å; W283-V287 PolarHBondContact O-N 3.08Å; A284-V287 PolarHBondContact O-N 2.94Å; V287-A290 PolarHBondContact O-N 2.87Å; V287-S291 WeakPolarHBondContact O-CB 3.4Å; V287-S291 PolarHBondContact O-N 3.25Å; V287-S291 PolarHBondContact O-OG 2.9Å
288A73.6Confident67.5Low56 Ų5688.9 Ų88.946%0.46353%0.525SS..Hα-helixtrans-62.9-41.7174.700000112A284 Q285 S291 A292A284-A288 WeakPolarHBondContact O-CB 3.29Å; A284-A288 PolarHBondContact O-N 2.9Å; Q285-A288 PolarHBondContact O-N 2.94Å; A288-S291 WeakPolarHBondContact CA-OG 3.5Å; A288-S291 PolarHBondContact O-N 2.81Å; A288-S291 PolarHBondContact O-OG 3.27Å; A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.01Å
289L61.9Low67Low38 Ų3891.4 Ų91.420%0.19953%0.534CS..Hα-helixtrans-67.2-42.6176.7-71.8169.4000112.5M220 M223 I241 Q285 A286 S291 A292 S293M220-L289 HydrophobicContact SD-CD2 4.4Å; M223-L289 HydrophobicContact CE-CD2 4.39Å; I241-L289 HydrophobicContact CD1-CD1 3.47Å; I241-L289 VanDerWaalsContact CD1-CD1 3.47Å; I241-L289 HydrophobicContact CG1-CD1 4.12Å; Q285-L289 WeakPolarHBondContact O-CG 3.48Å; Q285-L289 PolarHBondContact O-N 3.39Å; A286-L289 PolarHBondContact O-N 3Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.06Å; L289-A292 PolarHBondContact O-N 3.12Å; L289-S293 PolarHBondContact O-N 3.44Å
290A65Low66.4Low53 Ų5391.4 Ų91.444%0.43855%0.545SS..Hα-helixtrans-69.5-24.2178.600000113.6A286 V287 S293A286-A290 WeakPolarHBondContact O-CB 3.15Å; A286-A290 PolarHBondContact O-N 3.21Å; V287-A290 PolarHBondContact O-N 2.87Å; A290-S293 PolarHBondContact O-OG 2.71Å; A290-S293 VanDerWaalsContact O-OG 3.13Å
291S67.1Low65.3Low58 Ų5891.4 Ų91.441%0.40655%0.549SS..Hα-helixtrans-85.1-36.6174.649.30000112V287 A288 L289 S293 R294V287-S291 WeakPolarHBondContact O-CB 3.4Å; V287-S291 PolarHBondContact O-N 3.25Å; V287-S291 PolarHBondContact O-OG 2.9Å; A288-S291 WeakPolarHBondContact CA-OG 3.5Å; A288-S291 PolarHBondContact O-N 2.81Å; A288-S291 PolarHBondContact O-OG 3.27Å; L289-S291 VanDerWaalsContact C-N 3.28Å; L289-S291 PolarHBondContact O-N 3.06Å; S291-S293 PolarHBondContact O-N 3.44Å; S291-R294 PolarHBondContact O-N 3.44Å; S291-R294 VanDerWaalsContact O-N 3.12Å
292A60.7Low64.3Low45 Ų4589.1 Ų89.137%0.37255%0.549SS..Hα-helixtrans-63.3-23.5176.300000113.8A288 L289A288-A292 VanDerWaalsContact O-CB 3.28Å; A288-A292 WeakPolarHBondContact O-CB 3.45Å; A288-A292 PolarHBondContact O-N 3.01Å; L289-A292 PolarHBondContact O-N 3.12Å
293S58.2Low63.8Low95 Ų9590.1 Ų90.166%0.66456%0.555SS**THydrogen-bonded Turntrans-84.4-10.1175.559.90000114.6L289 A290 S291L289-S293 PolarHBondContact O-N 3.44Å; A290-S293 PolarHBondContact O-OG 2.71Å; A290-S293 VanDerWaalsContact O-OG 3.13Å; S291-S293 PolarHBondContact O-N 3.44Å
294R53.6Low62.6Low209 Ų20987.4 Ų87.479%0.78956%0.56SS**SBendtrans-106.8-1.4-175.5-67.6-175.2-173.8-90.9-0.8114.9S291S291-R294 PolarHBondContact O-N 3.44Å; S291-R294 VanDerWaalsContact O-N 3.12Å
295L49.3Very low61.1Low154 Ų15490 Ų9081%0.80657%0.569SS**SBendtrans-94.519.3-173.4-73.1166.9000114.6
296G43.9Very low60Low75 Ų7589.8 Ų89.877%0.77358%0.581SS**  trans-131.935.9-176.200000115.5
297S41.1Very low59Low184 Ų18493.8 Ų93.8100%1.28760%0.599SS**  trans-1050166.2-177.40000111.8

Retrieved 297 of 297 residues in 394.4 ms (Link to these results)