A0A060YMR8_ONCMY Loading...

Mitochondrial ribosomal protein S28

AlphaFold DB , UniProt , Accession A0A060YMR8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 192 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
1M40.4Very low40.8Very low249 Ų249143.5 Ų143.5100%1.22789%0.888SS**  0121.90-74-163.617400108.1
2A37.6Very low41.2Very low107 Ų107152.1 Ų152.188%0.88489%0.891SS**  trans-77.6142.7-17500000111.4
3A46.7Very low41.2Very low103 Ų103150.4 Ų150.485%0.85188%0.884SS**  trans-135.1116.9163.700000109.4
4L44.4Very low41.2Very low173 Ų173144.7 Ų144.791%0.90687%0.873SS**  trans-66.3136177-71.1134.7000110.9
5C40.5Very low41.4Very low135 Ų135141.9 Ų141.991%0.91287%0.872SS**  trans-120.2121.1162.2-124.30000109.5
6K42.8Very low41.5Very low201 Ų201139.1 Ų139.187%0.87486%0.858SS**  trans-76.3140.8-169.5-73.7177173.6175.60112.5
7V36.3Very low41.5Very low136 Ų136139 Ų13982%0.82486%0.857SS**  trans-70.5135.5164.4169.70000109.8
8V45.3Very low41.7Very low140 Ų140140.7 Ų140.785%0.84885%0.85SS**  trans-123.1115.8162.2176.20000108.3
9A36.4Very low41.9Very low94 Ų94139.4 Ų139.478%0.77785%0.845SS**  trans-84.6134.3170.700000109.6
10G36.8Very low41.9Very low79 Ų79142.9 Ų142.981%0.81485%0.848SS**  trans-123.6101.3172.800000110.2
11L41.9Very low41.9Very low162 Ų162147.3 Ų147.385%0.84885%0.85SS**  trans-80.7123.2172.9-157.577.7000108.5T13L11-T13 HydrophobicContact CD2-CG2 4.49Å
12R46Very low42.1Very low246 Ų246139.9 Ų139.993%0.92883%0.828SS**  trans-128.1103.1163.1-73.7-169179.3-169.20.8109.3
13T41Very low42.4Very low130 Ų130141.9 Ų141.980%0.79882%0.823SS**  trans-74.2118169.544.30000109.5L11L11-T13 HydrophobicContact CD2-CG2 4.49Å
14G40.3Very low42Very low71 Ų71144.2 Ų144.273%0.73282%0.821SS**  trans-127.6106.3167.100000108.6
15A44.8Very low42Very low103 Ų103143.7 Ų143.785%0.85182%0.817SS**  trans-80.7117.7175.200000109.5
16C42.3Very low41.8Very low97 Ų97142.5 Ų142.566%0.65581%0.809SS**  trans-106.7108.7165.342.30000108.7F18C16-F18 HydrophobicContact CB-CD2 4.44Å; C16-F18 HydrophobicContact CB-CE2 3.96Å; C16-F18 PolarHBondContact O-N 3.47Å
17V42.9Very low41.5Very low137 Ų137142.2 Ų142.283%0.8381%0.808SS**  trans-77104.1177.2179.30000108
18F44.7Very low41.7Very low169 Ų169141.1 Ų141.174%0.74181%0.806SS**PPolyproline II helixtrans-95.2122.3166.7-72.1-81000109.1C16 K20C16-F18 HydrophobicContact CB-CD2 4.44Å; C16-F18 HydrophobicContact CB-CE2 3.96Å; C16-F18 PolarHBondContact O-N 3.47Å; F18-K20 PolarHBondContact O-N 3.34Å
19P45Very low41.6Very low116 Ų116142.1 Ų142.175%0.75381%0.806SS**PPolyproline II helixtrans-70.5129.4174.627.8-31.1000110R21P19-R21 PolarHBondContact O-N 2.95Å
20K41.7Very low41.6Very low210 Ų210146.5 Ų146.591%0.91380%0.804SS**PPolyproline II helixtrans-62.2119.7170.9-61.9175.3178.9178.50108.8F18F18-K20 PolarHBondContact O-N 3.34Å
21R42.5Very low41.4Very low236 Ų236148.1 Ų148.189%0.89180%0.802SS**  trans-104.8104.3154.5-82.6-172.3173.4175.7-1.3107.7P19P19-R21 PolarHBondContact O-N 2.95Å
22A44.3Very low41.1Very low92 Ų92144.7 Ų144.776%0.7679%0.789SS**  trans-63.1128.716100000107.5
23I44.1Very low40.5Very low149 Ų149140.6 Ų140.676%0.76479%0.785SS**  trans-117.5104.4165.4-56177.4000104.4I25I23-I25 PolarHBondContact O-N 3.33Å
24D37.7Very low40.3Very low152 Ų152139.8 Ų139.881%0.81379%0.785SS**  trans-61.6119.8171.9-77.9-45.9000109.1C26D24-C26 PolarHBondContact O-N 2.72Å
25I45.6Very low40Very low162 Ų162145.5 Ų145.583%0.83179%0.792SS**  trans-81103.9170.5-63.5169.9000106.6I23I23-I25 PolarHBondContact O-N 3.33Å
26C35.5Very low39.4Very low111 Ų111149.6 Ų149.675%0.7579%0.794SS**  trans-16695.9161-102.30000111.5D24D24-C26 PolarHBondContact O-N 2.72Å
27K35.8Very low38.6Very low195 Ų195151.4 Ų151.485%0.84880%0.802SS**  163.1123.1107.6-88.8175.1179.9178.10111
28S41Very low38Very low112 Ų112149.6 Ų149.678%0.78380%0.795SS**  trans-53.3127159.9159.60000110.2
29L43.5Very low37.3Very low161 Ų161150.9 Ų150.984%0.84380%0.804SS**  trans-128.8102.9156.9-67.7174.9000107.2
30Y37.1Very low36.4Very low187 Ų187149.2 Ų149.273%0.73381%0.807SS**  trans-60.1135.6158.993.3-74.3000107.1T32Y30-T32 HydrophobicContact CE2-CG2 4.03Å; Y30-T32 WeakPolarHBondContact CE2-OG1 3.46Å
31S32.7Very low35.7Very low112 Ų112148.8 Ų148.878%0.78381%0.806SS**  trans-119.1114.6171.9-145.70000107.1
32T33.6Very low35Very low91 Ų91142.3 Ų142.356%0.55880%0.803SS**PPolyproline II helixtrans-75124.1175.6-12.10000108.6Y30Y30-T32 HydrophobicContact CE2-CG2 4.03Å; Y30-T32 WeakPolarHBondContact CE2-OG1 3.46Å
33D33.8Very low34.3Very low160 Ų160144 Ų14486%0.85680%0.804SS**PPolyproline II helixtrans-83.1118.3168.6-73.1-32.2000108.9
34S36.9Very low33.7Very low113 Ų113145.4 Ų145.479%0.7981%0.807SS**PPolyproline II helixtrans-93.7140.2170.5-62.40000109.2
35E33.7Very low33.3Very low190 Ų190146.8 Ų146.889%0.88881%0.808SS**PPolyproline II helixtrans-57.2144.6-170.1-57.2-158.7151.900116
36E32.6Very low32.5Very low190 Ų190145.1 Ų145.189%0.88881%0.806SS**PPolyproline II helixtrans-74.5135.2169-62-170.216300111.1
37T25.3Very low32.4Very low134 Ų134148.5 Ų148.582%0.82281%0.811SS**  trans-146.3145.4148.837.60000112.6
38S31.1Very low32Very low99 Ų99148.8 Ų148.869%0.69281%0.812SS**  trans82101.515185.30000120.6
39E29.4Very low31.6Very low196 Ų196149.5 Ų149.592%0.91681%0.814SS**  73.3128.6114.7-67.6-179.6-170.500119.9
40G27.5Very low31.3Very low81 Ų81146.3 Ų146.384%0.83581%0.81SS**  trans-86.8172.1-168.900000115.4
41K25.1Very low31.7Very low201 Ų201141.8 Ų141.887%0.87481%0.812SS**  trans-152.3119.3153.4-140.2170.3-174.41770109.7
42A28Very low33Very low100 Ų100143.8 Ų143.883%0.82681%0.814SS**  trans-67.9128.5168.500000109.5
43V30.1Very low34.5Very low129 Ų129148.1 Ų148.178%0.78283%0.825SS**  trans-136.2118.9154.6-1780000106.8
44E30.7Very low36.2Very low177 Ų177146.9 Ų146.983%0.82782%0.823SS**  trans-82.3117.8174.9-176.1-176.1-172.100108.7
45E29.3Very low38.2Very low182 Ų182146.9 Ų146.985%0.8581%0.809SS**  trans-138.4116.6156.9-80.8-165.4161.900109.7
46T29.7Very low40.6Very low126 Ų126142.3 Ų142.377%0.77380%0.798SS**  trans-86.4109.6172.5-70.30000109.4
47Q33.2Very low43.3Very low183 Ų183136.1 Ų136.186%0.85578%0.784SS**  trans-152.9114.1155.2-65-167.16.500112.4
48K27.2Very low46.5Very low201 Ų201138.1 Ų138.187%0.87478%0.782SS**  trans34.9145.3148.7-77.2178.8178178.90122.4A50K48-A50 PolarHBondContact O-N 2.67Å
49P33.7Very low49.3Very low126 Ų126135.5 Ų135.582%0.81877%0.767SS**  trans-71.4121.8-164.731.5-33.5000111.1A51P49-A51 PolarHBondContact O-N 3.31Å; P49-A51 VanDerWaalsContact O-N 3.15Å
50A36.2Very low52.2Low94 Ų94127.5 Ų127.578%0.77773%0.734SS**  trans-70.2107.6168.100000108.7K48K48-A50 PolarHBondContact O-N 2.67Å
51A46.9Very low55.2Low92 Ų92126 Ų12676%0.7671%0.714SS**  trans-61.1133.1169.400000110.8P49P49-A51 PolarHBondContact O-N 3.31Å; P49-A51 VanDerWaalsContact O-N 3.15Å
52D59.2Low58.4Low155 Ų155123.4 Ų123.483%0.82970%0.7SS**  trans44.172.6159.5-67.5-22.3000118.7
53K65.1Low61.5Low182 Ų182122.1 Ų122.179%0.79168%0.677SS**  trans-75.4120.6141.5-69.2-173.8-177.8-1740107.3K55K53-K55 PolarHBondContact O-N 3.04Å
54V69.9Low64.4Low134 Ų134122.4 Ų122.481%0.81267%0.669SS**  trans-60.6100.8172-1790000107.5S56V54-S56 PolarHBondContact O-N 3.37Å
55K78.4Confident67.2Low113 Ų113118.9 Ų118.949%0.49165%0.653SS.*  trans-66.9126174.4-61.7167.4-165.7168.30106K53 A59 A60 E63K53-K55 PolarHBondContact O-N 3.04Å; K55-A59 HydrophobicContact CB-CB 4.09Å; K55-A60 VanDerWaalsContact O-CB 3.27Å; K55-A60 WeakPolarHBondContact O-CB 3.46Å; K55-E63 WeakPolarHBondContact CD-OE1 3.48Å; K55-E63 WeakPolarHBondContact CD-OE2 3.36Å; K55-E63 WeakPolarHBondContact CE-OE1 3.29Å; K55-E63 WeakPolarHBondContact CE-OE2 3.32Å; K55-E63 IonicContact NZ-OE1 3.14Å; K55-E63 PolarHBondContact NZ-OE1 2.72Å; K55-E63 IonicContact NZ-OE2 2.56Å; K55-E63 PolarHBondContact NZ-OE2 2.88Å
56S83.1Confident70.2Confident94 Ų94112 Ų11266%0.65762%0.623SS**  trans-122.5162.4-176.768.50000110.5V54 F58V54-S56 PolarHBondContact O-N 3.37Å; S56-F58 PolarHBondContact O-N 2.99Å
57G90.4Very high73Confident59 Ų59109.7 Ų109.761%0.60861%0.606SS**THydrogen-bonded Turntrans61.1-126.9-179.700000112.6A59 A60 A61G57-A59 PolarHBondContact O-N 3.45Å; G57-A60 PolarHBondContact O-N 3.15Å; G57-A61 PolarHBondContact O-N 2.94Å
58F91.6Very high75.4Confident176 Ų176106 Ų10677%0.77259%0.592SS**Hα-helixtrans-64.7-39.4-173.7-171.4-94.3000113.2S56 A60 A61 Y62S56-F58 PolarHBondContact O-N 2.99Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 3.32Å; F58-A61 PolarHBondContact O-N 3.03Å; F58-Y62 WeakPolarHBondContact O-CB 3.25Å; F58-Y62 PolarHBondContact O-N 2.8Å
59A90.8Very high78Confident45 Ų45101.1 Ų101.137%0.37257%0.572SS.*Hα-helixtrans-62.7-38.1179.600000112K55 G57 E63K55-A59 HydrophobicContact CB-CB 4.09Å; G57-A59 PolarHBondContact O-N 3.45Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.15Å
60A90.1Very high80.2Confident27 Ų2799.7 Ų99.722%0.22355%0.554CS.*Hα-helixtrans-65.6-44.9175.800000112K55 G57 F58 E63 Q64K55-A60 VanDerWaalsContact O-CB 3.27Å; K55-A60 WeakPolarHBondContact O-CB 3.46Å; G57-A60 PolarHBondContact O-N 3.15Å; F58-A60 VanDerWaalsContact C-N 3.3Å; F58-A60 PolarHBondContact O-N 3.32Å; A60-E63 PolarHBondContact O-N 3.4Å; A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.39Å
61A91.4Very high82Confident51 Ų51103.2 Ų103.242%0.42155%0.548SS..Hα-helixtrans-66.6-38.4-179.900000112G57 F58 E63 Q64 H65G57-A61 PolarHBondContact O-N 2.94Å; F58-A61 PolarHBondContact O-N 3.03Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.06Å; A61-Q64 PolarHBondContact O-N 2.98Å; A61-H65 WeakPolarHBondContact O-CB 3.42Å; A61-H65 PolarHBondContact O-N 2.81Å
62Y92.3Very high82.9Confident145 Ų145105.9 Ų105.957%0.56954%0.544SS*.Hα-helixtrans-62.8-41177.1-176.1-98000111.8F58 H65 T66F58-Y62 WeakPolarHBondContact O-CB 3.25Å; F58-Y62 PolarHBondContact O-N 2.8Å; Y62-H65 PolarHBondContact O-N 3.48Å; Y62-T66 WeakPolarHBondContact O-CB 3.42Å; Y62-T66 PolarHBondContact O-N 2.99Å; Y62-T66 PolarHBondContact O-OG1 3.29Å
63E91.9Very high83.1Confident74 Ų74105.1 Ų105.135%0.34654%0.54SS..Hα-helixtrans-69.8-42.8177.8-71.9-177.5-175.300112.3K55 A59 A60 A61 H65 T66 D67K55-E63 WeakPolarHBondContact CD-OE1 3.48Å; K55-E63 WeakPolarHBondContact CD-OE2 3.36Å; K55-E63 WeakPolarHBondContact CE-OE1 3.29Å; K55-E63 WeakPolarHBondContact CE-OE2 3.32Å; K55-E63 IonicContact NZ-OE1 3.14Å; K55-E63 PolarHBondContact NZ-OE1 2.72Å; K55-E63 IonicContact NZ-OE2 2.56Å; K55-E63 PolarHBondContact NZ-OE2 2.88Å; A59-E63 WeakPolarHBondContact O-CG 3.47Å; A59-E63 PolarHBondContact O-N 3.15Å; A60-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact C-N 3.33Å; A61-E63 PolarHBondContact O-N 3.06Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 2.91Å; E63-T66 PolarHBondContact O-N 2.9Å; E63-D67 WeakPolarHBondContact O-CB 3.44Å; E63-D67 VanDerWaalsContact O-CG 3.25Å; E63-D67 PolarHBondContact O-N 2.76Å
64Q91.1Very high82.9Confident134 Ų134103.9 Ų103.963%0.62654%0.537SS*.Hα-helixtrans-56.3-42.7172.8-73178.8-7.600112A60 A61 L68A60-Q64 WeakPolarHBondContact O-CG 3.31Å; A60-Q64 PolarHBondContact O-N 3.39Å; A61-Q64 PolarHBondContact O-N 2.98Å; Q64-L68 VanDerWaalsContact O-CG 3.25Å; Q64-L68 WeakPolarHBondContact O-CG 3.29Å; Q64-L68 PolarHBondContact O-N 3.26Å; Q64-L68 VanDerWaalsContact O-N 3.09Å
65H89.1Confident82.1Confident104 Ų104102.4 Ų102.448%0.48153%0.529SS..Hα-helixtrans-68.8-41178178.1-108.7000112.5A61 Y62 E63 L68 Q69A61-H65 WeakPolarHBondContact O-CB 3.42Å; A61-H65 PolarHBondContact O-N 2.81Å; Y62-H65 PolarHBondContact O-N 3.48Å; E63-H65 VanDerWaalsContact C-N 3.27Å; E63-H65 PolarHBondContact O-N 2.91Å; H65-L68 PolarHBondContact O-N 2.87Å; H65-Q69 PolarHBondContact CE1-NE2 3.04Å; H65-Q69 PolarHBondContact NE2-NE2 3.26Å; H65-Q69 PolarHBondContact O-N 2.86Å; H65-Q69 VanDerWaalsContact O-N 3.08Å
66T92Very high81Confident36 Ų36100.8 Ų100.822%0.22154%0.544CS..Hα-helixtrans-65.1-42.4178.1-54.60000111Y62 E63 L68 Q69 Q70Y62-T66 WeakPolarHBondContact O-CB 3.42Å; Y62-T66 PolarHBondContact O-N 2.99Å; Y62-T66 PolarHBondContact O-OG1 3.29Å; E63-T66 PolarHBondContact O-N 2.9Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.74Å; T66-Q69 PolarHBondContact O-N 3.26Å; T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.84Å
67D88.4Confident79Confident78 Ų78102 Ų10242%0.41755%0.548SS..Hα-helixtrans-62.7-39.3175.5-73.6-9.2000111.8E63 Q70 R71E63-D67 WeakPolarHBondContact O-CB 3.44Å; E63-D67 VanDerWaalsContact O-CG 3.25Å; E63-D67 PolarHBondContact O-N 2.76Å; D67-Q70 PolarHBondContact O-N 2.62Å; D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 2.81Å
68L83.7Confident77Confident107 Ų107105.9 Ų105.956%0.5656%0.56SS**Hα-helixtrans-64.3-41.7175.4-74.2175.9000112Q64 H65 T66 Q72Q64-L68 VanDerWaalsContact O-CG 3.25Å; Q64-L68 WeakPolarHBondContact O-CG 3.29Å; Q64-L68 PolarHBondContact O-N 3.26Å; Q64-L68 VanDerWaalsContact O-N 3.09Å; H65-L68 PolarHBondContact O-N 2.87Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.74Å; L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 2.81Å; L68-Q72 VanDerWaalsContact O-N 3.1Å
69Q81.9Confident74.8Confident97 Ų97103.5 Ų103.545%0.45356%0.559SS.*Hα-helixtrans-63.6-43.9174.3-74-172.521.200112H65 T66 Q72 N73H65-Q69 PolarHBondContact CE1-NE2 3.04Å; H65-Q69 PolarHBondContact NE2-NE2 3.26Å; H65-Q69 PolarHBondContact O-N 2.86Å; H65-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 PolarHBondContact O-N 3.26Å; Q69-Q72 PolarHBondContact O-N 2.88Å; Q69-N73 VanDerWaalsContact O-CG 3.28Å; Q69-N73 PolarHBondContact O-N 3.03Å; Q69-N73 PolarHBondContact O-ND2 2.84Å
70Q80.9Confident72.6Confident96 Ų96113 Ų11345%0.44959%0.585SS.*Hα-helixtrans-66.2-40.1179.4-70.8179.5900112.2T66 D67 Q72 N73 Q74T66-Q70 WeakPolarHBondContact O-CG 3.32Å; T66-Q70 PolarHBondContact O-N 2.84Å; D67-Q70 PolarHBondContact O-N 2.62Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.88Å; Q70-N73 PolarHBondContact O-N 3.06Å; Q70-N73 VanDerWaalsContact O-N 3.1Å; Q70-Q74 PolarHBondContact O-N 3Å; Q70-Q74 VanDerWaalsContact O-N 3.09Å
71R74.4Confident70.6Confident169 Ų169119 Ų11964%0.63861%0.613SS**Hα-helixtrans-64.1-36.7176.1-75.7173.1-177.6-112.91.9112.6D67 N73 Q74 T75D67-R71 WeakPolarHBondContact O-CB 3.48Å; D67-R71 WeakPolarHBondContact O-CG 3.41Å; D67-R71 PolarHBondContact O-N 2.81Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.74Å; R71-Q74 PolarHBondContact O-N 2.81Å; R71-T75 PolarHBondContact O-N 2.92Å; R71-T75 PolarHBondContact O-OG1 3.49Å
72Q64.8Low68.2Low148 Ų148119.9 Ų119.969%0.69263%0.627SS**Hα-helixtrans-64.3-33172.6-76.1176.5-15.800112.2L68 Q69 Q70L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 2.81Å; L68-Q72 VanDerWaalsContact O-N 3.1Å; Q69-Q72 PolarHBondContact O-N 2.88Å; Q70-Q72 VanDerWaalsContact C-N 3.33Å; Q70-Q72 PolarHBondContact O-N 2.88Å
73N62.8Low65.9Low138 Ų138116.3 Ų116.374%0.73862%0.623SS**Hα-helixtrans-79.3-26.9179.7-66.4-18.1000113.7Q69 Q70 R71Q69-N73 VanDerWaalsContact O-CG 3.28Å; Q69-N73 PolarHBondContact O-N 3.03Å; Q69-N73 PolarHBondContact O-ND2 2.84Å; Q70-N73 PolarHBondContact O-N 3.06Å; Q70-N73 VanDerWaalsContact O-N 3.1Å; R71-N73 VanDerWaalsContact C-N 3.27Å; R71-N73 PolarHBondContact O-N 2.74Å
74Q60.8Low63.9Low156 Ų156119 Ų11973%0.72965%0.645SS**Hα-helixtrans-95.2-27.8-174.7-72.7176.92.100114.9Q70 R71 G76Q70-Q74 PolarHBondContact O-N 3Å; Q70-Q74 VanDerWaalsContact O-N 3.09Å; R71-Q74 PolarHBondContact O-N 2.81Å; Q74-G76 PolarHBondContact O-N 2.93Å
75T55Low62.2Low104 Ų104122.4 Ų122.464%0.63865%0.652SS**  trans-85.673.2-176.849.40000112.3R71 T77R71-T75 PolarHBondContact O-N 2.92Å; R71-T75 PolarHBondContact O-OG1 3.49Å; T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 3.46Å
76G54.9Low61.1Low78 Ų78124.1 Ų124.180%0.80467%0.665SS**  trans-66.574.5175.300000114.3Q74Q74-G76 PolarHBondContact O-N 2.93Å
77T41.2Very low60.5Low121 Ų121131.2 Ų131.274%0.74270%0.695SS**  trans-98129.3164.5-600000110.1T75 V79T75-T77 VanDerWaalsContact C-N 3.3Å; T75-T77 PolarHBondContact O-N 3.46Å; T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.93Å
78T47Very low60.6Low140 Ų140133.4 Ų133.486%0.85970%0.701SS**SBendtrans-71.659.5-16949.90000114.9
79V45.8Very low61.1Low126 Ų126131.3 Ų131.376%0.76470%0.695SS**SBendtrans-113110.3147.81790000105.2T77 L81T77-V79 VanDerWaalsContact C-N 3.29Å; T77-V79 PolarHBondContact O-N 2.93Å; V79-L81 PolarHBondContact O-N 2.9Å
80R46Very low61.8Low243 Ų243134.3 Ų134.392%0.91771%0.707SS**  trans-59.885.8177.3-67.9-174.6172.3-166.3-1.8110.2
81L47Very low62.6Low154 Ų154132.8 Ų132.881%0.80671%0.711SS**  trans-111.519.5150.8-154.964.4000110.9V79 S83V79-L81 PolarHBondContact O-N 2.9Å; L81-S83 PolarHBondContact O-N 2.91Å
82G40.8Very low63.6Low69 Ų69127 Ų12771%0.71170%0.696SS**  trans-67.976.8141.800000109.3
83S44.9Very low65.1Low71 Ų71124.6 Ų124.650%0.49769%0.688SS.*  -82.1114113.169.40000101.8L81 R85L81-S83 PolarHBondContact O-N 2.91Å; S83-R85 PolarHBondContact O-N 3.31Å; S83-R85 WeakPolarHBondContact OG-CA 3.26Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 PolarHBondContact OG-N 2.93Å
84T49.6Very low66.7Low131 Ų131121.7 Ų121.780%0.80467%0.672SS**  -1267.895.9570000110.1N86T84-N86 PolarHBondContact O-N 2.89Å
85R55.4Low68.4Low205 Ų205124.2 Ų124.277%0.77467%0.674SS**  trans-6598.6169-171.5178.5-167.7172.13.198.6S83 E87S83-R85 PolarHBondContact O-N 3.31Å; S83-R85 WeakPolarHBondContact OG-CA 3.26Å; S83-R85 WeakPolarHBondContact OG-CB 3.34Å; S83-R85 PolarHBondContact OG-N 2.93Å; R85-E87 WeakPolarHBondContact O-CA 3.43Å; R85-E87 WeakPolarHBondContact O-CG 3.01Å; R85-E87 PolarHBondContact O-N 2.94Å
86N66.1Low70.3Confident139 Ų139123.6 Ų123.674%0.74367%0.668SS**  trans-45.2101.1177.9-122.2-33.6000103T84 K88T84-N86 PolarHBondContact O-N 2.89Å; N86-K88 WeakPolarHBondContact O-CG 3.49Å; N86-K88 PolarHBondContact O-N 3.37Å
87E79.1Confident72.3Confident186 Ų186121.2 Ų121.287%0.86964%0.639SS**  trans-74.591.7-167-74.1-164.3162.700102.5R85 S89R85-E87 WeakPolarHBondContact O-CA 3.43Å; R85-E87 WeakPolarHBondContact O-CG 3.01Å; R85-E87 PolarHBondContact O-N 2.94Å; E87-S89 PolarHBondContact O-N 3.32Å
88K89.8Confident74.9Confident124 Ų124120.5 Ų120.554%0.53964%0.636SS.*  trans-63.9118.9-174.9-71.7-175.2-176.4-178.40104.5N86 L93N86-K88 WeakPolarHBondContact O-CG 3.49Å; N86-K88 PolarHBondContact O-N 3.37Å; K88-L93 HydrophobicContact CB-CD2 3.8Å; K88-L93 HydrophobicContact CB-CG 3.93Å; K88-L93 HydrophobicContact CD-CD2 4.03Å
89S95.3Very high77.2Confident62 Ų62117.6 Ų117.643%0.43461%0.614SS.*  trans-52.2154.9171.763.90000110E87 A91 S92 L93E87-S89 PolarHBondContact O-N 3.32Å; S89-A91 PolarHBondContact O-N 2.69Å; S89-S92 WeakPolarHBondContact O-CA 3.19Å; S89-S92 VanDerWaalsContact O-CB 3.3Å; S89-S92 WeakPolarHBondContact O-CB 3.27Å; S89-S92 PolarHBondContact O-N 2.68Å; S89-S92 PolarHBondContact OG-N 2.63Å; S89-S92 PolarHBondContact OG-OG 2.78Å; S89-L93 PolarHBondContact O-N 3.24Å
90F96.2Very high79.5Confident161 Ų161116.4 Ų116.471%0.70660%0.602SS**Hα-helixtrans-50.9-42.3175.1171.4-103.2000111.9S92 L93 L94F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 2.8Å; F90-L93 PolarHBondContact O-N 3.02Å; F90-L93 VanDerWaalsContact O-N 3.13Å; F90-L94 HydrophobicContact CE1-CD2 3.97Å; F90-L94 HydrophobicContact CZ-CB 4.42Å; F90-L94 HydrophobicContact CZ-CD2 4.1Å; F90-L94 WeakPolarHBondContact O-CB 3.27Å; F90-L94 PolarHBondContact O-N 3.29Å
91A96.9Very high81.9Confident64 Ų64111 Ų11153%0.52959%0.587SS.*Hα-helixtrans-58.6-40.2175.100000112.6S89 R95S89-A91 PolarHBondContact O-N 2.69Å; A91-R95 VanDerWaalsContact O-CB 3.23Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.31Å
92S96.1Very high84.2Confident46 Ų46105.8 Ų105.832%0.32256%0.559SS.*Hα-helixtrans-67.2-38.5176.1-58.80000111.9S89 F90 N96S89-S92 WeakPolarHBondContact O-CA 3.19Å; S89-S92 VanDerWaalsContact O-CB 3.3Å; S89-S92 WeakPolarHBondContact O-CB 3.27Å; S89-S92 PolarHBondContact O-N 2.68Å; S89-S92 PolarHBondContact OG-N 2.63Å; S89-S92 PolarHBondContact OG-OG 2.78Å; F90-S92 VanDerWaalsContact C-N 3.3Å; F90-S92 PolarHBondContact O-N 2.8Å; S92-N96 WeakPolarHBondContact O-CB 3.38Å; S92-N96 PolarHBondContact O-N 3.35Å; S92-N96 PolarHBondContact O-ND2 2.74Å
93L96.3Very high86.8Confident99 Ų99104.3 Ų104.352%0.51854%0.544SS..Hα-helixtrans-69-47176.2-67.2175000111.6K88 S89 F90 R95 N96 S97K88-L93 HydrophobicContact CB-CD2 3.8Å; K88-L93 HydrophobicContact CB-CG 3.93Å; K88-L93 HydrophobicContact CD-CD2 4.03Å; S89-L93 PolarHBondContact O-N 3.24Å; F90-L93 PolarHBondContact O-N 3.02Å; F90-L93 VanDerWaalsContact O-N 3.13Å; L93-R95 PolarHBondContact O-N 3.23Å; L93-N96 CarbonylContact O-C 3.47Å; L93-N96 PolarHBondContact O-N 2.92Å; L93-S97 PolarHBondContact O-N 3.24Å
94L96.3Very high89.2Confident77 Ų77106 Ų10640%0.40355%0.553SS.*Hα-helixtrans-60.2-48179.8-178.361.5000110.9F90 N96 S97 M100F90-L94 HydrophobicContact CE1-CD2 3.97Å; F90-L94 HydrophobicContact CZ-CB 4.42Å; F90-L94 HydrophobicContact CZ-CD2 4.1Å; F90-L94 WeakPolarHBondContact O-CB 3.27Å; F90-L94 PolarHBondContact O-N 3.29Å; L94-N96 PolarHBondContact O-N 2.68Å; L94-S97 VanDerWaalsContact O-CB 3.31Å; L94-S97 WeakPolarHBondContact O-CB 3.33Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-S97 PolarHBondContact O-OG 3.42Å; L94-M100 HydrophobicContact CD1-CG 3.8Å; L94-M100 HydrophobicContact CD1-SD 4.31Å; L94-M100 HydrophobicContact CG-CG 4.08Å; L94-M100 WeakPolarHBondContact O-CB 3.33Å; L94-M100 WeakPolarHBondContact O-CG 3.37Å
95R96.4Very high91.4Very high208 Ų208100.5 Ų100.579%0.78552%0.521SS*.Hα-helixtrans-61.2-29.6178.9-171.3173.9-177.9178.21.2113.4A91 L93A91-R95 VanDerWaalsContact O-CB 3.23Å; A91-R95 WeakPolarHBondContact O-CB 3.41Å; A91-R95 PolarHBondContact O-N 3.31Å; L93-R95 PolarHBondContact O-N 3.23Å
96N96.3Very high93.4Very high92 Ų9296.5 Ų96.549%0.49251%0.509SS..THydrogen-bonded Turntrans-98.18.3178.2-67.3-58.3000113.4S92 L93 L94 Q101S92-N96 WeakPolarHBondContact O-CB 3.38Å; S92-N96 PolarHBondContact O-N 3.35Å; S92-N96 PolarHBondContact O-ND2 2.74Å; L93-N96 CarbonylContact O-C 3.47Å; L93-N96 PolarHBondContact O-N 2.92Å; L94-N96 PolarHBondContact O-N 2.68Å; N96-Q101 PolarHBondContact O-NE2 3.39Å
97S96.2Very high94.8Very high28 Ų2893.4 Ų93.420%0.19649%0.492CS..SBendtrans-76.2146179.770.30000111.2L93 L94 L99 M100 Q101L93-S97 PolarHBondContact O-N 3.24Å; L94-S97 VanDerWaalsContact O-CB 3.31Å; L94-S97 WeakPolarHBondContact O-CB 3.33Å; L94-S97 PolarHBondContact O-N 2.81Å; L94-S97 PolarHBondContact O-OG 3.42Å; S97-L99 PolarHBondContact O-N 2.64Å; S97-M100 PolarHBondContact O-N 2.99Å; S97-M100 VanDerWaalsContact O-N 3.15Å; S97-M100 WeakPolarHBondContact OG-CB 3.24Å; S97-M100 VanDerWaalsContact OG-CG 3.29Å; S97-M100 WeakPolarHBondContact OG-CG 3.43Å; S97-M100 PolarHBondContact OG-N 3.02Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.22Å
98P95.9Very high95.6Very high105 Ų10588.5 Ų88.568%0.68247%0.468SS*.Hα-helixtrans-57.3-35.7178.8-26.735.1000113.4Q101 M102P98-Q101 PolarHBondContact O-N 3.15Å; P98-M102 WeakPolarHBondContact O-CB 3.47Å; P98-M102 PolarHBondContact O-N 3.15Å
99L94.4Very high96Very high79 Ų7988.7 Ų88.741%0.41447%0.473SS..Hα-helixtrans-63.2-44.6178.4-175.666.6000111.6S97 M102 L157S97-L99 PolarHBondContact O-N 2.64Å; L99-M102 HydrophobicContact CD1-CE 4.24Å; L99-L157 HydrophobicContact CD1-CD1 4.08Å
100M95.7Very high96Very high101 Ų10187.1 Ų87.150%0.49846%0.46SS..Hα-helixtrans-72-35.5176.8-66.6-6593.200112.3L94 S97 M102L94-M100 HydrophobicContact CD1-CG 3.8Å; L94-M100 HydrophobicContact CD1-SD 4.31Å; L94-M100 HydrophobicContact CG-CG 4.08Å; L94-M100 WeakPolarHBondContact O-CB 3.33Å; L94-M100 WeakPolarHBondContact O-CG 3.37Å; S97-M100 PolarHBondContact O-N 2.99Å; S97-M100 VanDerWaalsContact O-N 3.15Å; S97-M100 WeakPolarHBondContact OG-CB 3.24Å; S97-M100 VanDerWaalsContact OG-CG 3.29Å; S97-M100 WeakPolarHBondContact OG-CG 3.43Å; S97-M100 PolarHBondContact OG-N 3.02Å; M100-M102 VanDerWaalsContact C-N 3.32Å; M100-M102 PolarHBondContact O-N 2.71Å
101Q95.8Very high96.1Very high129 Ų12983.5 Ų83.560%0.60345%0.448SS*.Hα-helixtrans-69.5-28.2177.6-71.5176.2-9.800113.2N96 S97 P98 G103N96-Q101 PolarHBondContact O-NE2 3.39Å; S97-Q101 WeakPolarHBondContact O-CG 3.36Å; S97-Q101 PolarHBondContact O-N 3.22Å; P98-Q101 PolarHBondContact O-N 3.15Å; Q101-G103 VanDerWaalsContact C-N 3.31Å; Q101-G103 PolarHBondContact O-N 2.95Å
102M95.1Very high96.1Very high46 Ų4680.6 Ų80.623%0.22742%0.423CS..Hα-helixtrans-65-33.6178.7-176.9-17970.600112.8P98 L99 M100 A105 K108 V110 L154P98-M102 WeakPolarHBondContact O-CB 3.47Å; P98-M102 PolarHBondContact O-N 3.15Å; L99-M102 HydrophobicContact CD1-CE 4.24Å; M100-M102 VanDerWaalsContact C-N 3.32Å; M100-M102 PolarHBondContact O-N 2.71Å; M102-A105 HydrophobicContact CE-CB 3.97Å; M102-K108 HydrophobicContact CG-CB 4.31Å; M102-K108 HydrophobicContact CG-CD 4.33Å; M102-K108 HydrophobicContact CG-CG 3.93Å; M102-K108 WeakPolarHBondContact O-CE 3.42Å; M102-K108 HydrophobicContact SD-CB 3.98Å; M102-K108 HydrophobicContact SD-CG 4.14Å; M102-V110 HydrophobicContact SD-CG1 4.1Å; M102-L154 HydrophobicContact CE-CD1 4.23Å; M102-L154 HydrophobicContact SD-CD1 4.17Å
103G95.4Very high96.2Very high38 Ų3884.1 Ų84.139%0.39243%0.433SS..  trans74.3-148.4-174.200000112.6Q101 A105Q101-G103 VanDerWaalsContact C-N 3.31Å; Q101-G103 PolarHBondContact O-N 2.95Å; G103-A105 PolarHBondContact O-N 3.23Å
104P96.1Very high96.2Very high107 Ų10779.4 Ų79.470%0.69541%0.408SS*.SBendtrans-55.3133.9177.9-24.534000111.8K108P104-K108 WeakPolarHBondContact O-CE 3.04Å; P104-K108 WeakPolarHBondContact O-CG 3.18Å
105A95Very high96.3Very high14 Ų1479.7 Ų79.712%0.11641%0.407CS..  trans-77.6-25.8-172.300000114.2M102 G103 D107 K108 L154 L157M102-A105 HydrophobicContact CE-CB 3.97Å; G103-A105 PolarHBondContact O-N 3.23Å; A105-D107 PolarHBondContact O-N 3.03Å; A105-K108 VanDerWaalsContact O-CB 3.27Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 VanDerWaalsContact O-CG 3.27Å; A105-K108 WeakPolarHBondContact O-CG 3.38Å; A105-K108 PolarHBondContact O-N 3.35Å; A105-L154 HydrophobicContact CB-CB 4.5Å; A105-L154 HydrophobicContact CB-CD1 4.38Å; A105-L154 VanDerWaalsContact O-CB 3.3Å; A105-L154 WeakPolarHBondContact O-CB 3.36Å; A105-L157 HydrophobicContact CB-CD1 3.93Å; A105-L157 HydrophobicContact CB-CD2 3.88Å; A105-L157 HydrophobicContact CB-CG 3.54Å
106K96.3Very high96.4Very high121 Ų12173.7 Ų73.753%0.52639%0.387SS..THydrogen-bonded Turntrans-54.1129.6-178.9-173.8171.5178.4117.10111.6K108 E155K106-K108 PolarHBondContact O-N 3.05Å; K106-E155 WeakPolarHBondContact CA-O 3.5Å; K106-E155 WeakPolarHBondContact CE-OE1 3.34Å; K106-E155 IonicContact NZ-OE1 3.99Å; K106-E155 PolarHBondContact NZ-OE1 3Å
107D96.3Very high96.5Very high74 Ų7471.4 Ų71.440%0.39637%0.374SS..THydrogen-bonded Turntrans62.517.2-179.8-56.6-36.8000115.5A105 R153 L154A105-D107 PolarHBondContact O-N 3.03Å; D107-R153 IonicContact OD1-CZ 2.72Å; D107-R153 IonicContact OD1-NE 3.82Å; D107-R153 PolarHBondContact OD1-NE 3.09Å; D107-R153 IonicContact OD1-NH2 2.67Å; D107-R153 PolarHBondContact OD1-NH2 2.83Å; D107-R153 IonicContact OD2-NH2 3.61Å; D107-L154 PolarHBondContact N-O 3.21Å
108K96.5Very high96.5Very high83 Ų8373.3 Ų73.336%0.36138%0.382SS..  trans-82.8134.2176.3-61.1-60.8-177.1-171.60111.4M102 P104 A105 K106 R153 L154M102-K108 HydrophobicContact CG-CB 4.31Å; M102-K108 HydrophobicContact CG-CD 4.33Å; M102-K108 HydrophobicContact CG-CG 3.93Å; M102-K108 WeakPolarHBondContact O-CE 3.42Å; M102-K108 HydrophobicContact SD-CB 3.98Å; M102-K108 HydrophobicContact SD-CG 4.14Å; P104-K108 WeakPolarHBondContact O-CE 3.04Å; P104-K108 WeakPolarHBondContact O-CG 3.18Å; A105-K108 VanDerWaalsContact O-CB 3.27Å; A105-K108 WeakPolarHBondContact O-CB 3.32Å; A105-K108 VanDerWaalsContact O-CG 3.27Å; A105-K108 WeakPolarHBondContact O-CG 3.38Å; A105-K108 PolarHBondContact O-N 3.35Å; K106-K108 PolarHBondContact O-N 3.05Å; K108-R153 WeakPolarHBondContact O-CA 3.25Å; K108-L154 PolarHBondContact O-N 3.16Å
109M96.8Very high96.5Very high129 Ų12976.8 Ų76.864%0.63539%0.386SS*.EExtended strand (participates in β ladder)trans-86.3119.7175.3-63.5-64.9-174.200110L152 R153 L180M109-L152 CarbonylContact C-O 3.6Å; M109-L152 WeakPolarHBondContact CA-O 3.16Å; M109-R153 HydrophobicContact CE-CB 4.4Å; M109-R153 HydrophobicContact SD-CB 3.96Å; M109-L180 HydrophobicContact CE-CD1 3.61Å; M109-L180 HydrophobicContact SD-CD1 3.29Å; M109-L180 WeakPolarHBondContact SD-CD1 3.33Å
110V96.9Very high96.5Very high28 Ų2877.8 Ų77.817%0.1739%0.392CS..EExtended strand (participates in β ladder)trans-129.8165.6178.9-56.80000111.8M102 F126 L152 L154M102-V110 HydrophobicContact SD-CG1 4.1Å; V110-F126 HydrophobicContact CG2-CB 4.05Å; V110-F126 HydrophobicContact CG2-CD2 4.11Å; V110-F126 HydrophobicContact CG2-CG 4.14Å; V110-L152 HydrophobicContact CG2-CB 3.9Å; V110-L152 HydrophobicContact CG2-CD1 4.42Å; V110-L152 PolarHBondContact N-O 3.31Å; V110-L152 PolarHBondContact O-N 3Å; V110-L154 HydrophobicContact CB-CD1 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.62Å; V110-L154 HydrophobicContact CG1-CG 4.08Å; V110-L154 HydrophobicContact CG2-CD1 3.93Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å; V110-L154 HydrophobicContact CG2-CG 3.67Å
111I97.1Very high96.6Very high86 Ų8674.8 Ų74.844%0.44138%0.378SS..EExtended strand (participates in β ladder)trans-108117.6179.6-58.5-180000108.5R149 V150 I183I111-R149 HydrophobicContact CG2-CB 4.5Å; I111-V150 WeakPolarHBondContact CA-O 3.38Å; I111-I183 HydrophobicContact CB-CD1 3.92Å; I111-I183 HydrophobicContact CD1-CD1 3.86Å; I111-I183 HydrophobicContact CG1-CD1 3.61Å; I111-I183 HydrophobicContact CG2-CD1 3.31Å
112G97.3Very high96.7Very high2 Ų268.7 Ų68.72%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-103164.717500000112.8D125 R149 V150G112-D125 CarbonylContact C-O 3.56Å; G112-D125 VanDerWaalsContact CA-O 3.24Å; G112-D125 WeakPolarHBondContact CA-O 3.35Å; G112-R149 CarbonylContact O-C 3.58Å; G112-R149 VanDerWaalsContact O-CA 3.29Å; G112-R149 WeakPolarHBondContact O-CA 3.39Å; G112-V150 PolarHBondContact N-O 3.35Å; G112-V150 PolarHBondContact O-N 2.91Å
113K97.8Very high96.8Very high120 Ų12069.3 Ų69.352%0.52235%0.349SS..EExtended strand (participates in β ladder)trans-126.2127.8171.1-175.5-179.7179.3-177.80109.2F115 D125 S148K113-F115 PolarHBondContact O-N 2.99Å; K113-D125 PolarHBondContact N-O 3.49Å; K113-D125 PolarHBondContact O-N 2.82Å; K113-S148 WeakPolarHBondContact CA-O 3.07Å
114I97.9Very high97Very high0 Ų067.5 Ų67.50%033%0.331CS..EExtended strand (participates in β ladder)trans-71.3119.9176-50.3179.9000108.3I117 L122 Y123 I124 Y144 G147 S148 V150I114-I117 HydrophobicContact CG2-CD1 4.05Å; I114-I117 HydrophobicContact CG2-CG1 3.67Å; I114-L122 HydrophobicContact CD1-CD1 4.31Å; I114-Y123 WeakPolarHBondContact CA-O 3.38Å; I114-I124 HydrophobicContact CG1-CG1 4.22Å; I114-Y144 HydrophobicContact CD1-CD1 4.05Å; I114-G147 WeakPolarHBondContact O-CA 3.47Å; I114-G147 PolarHBondContact O-N 2.97Å; I114-S148 PolarHBondContact N-O 3.4Å; I114-V150 HydrophobicContact CD1-CG1 4.06Å; I114-V150 HydrophobicContact CG1-CG1 4.2Å; I114-V150 HydrophobicContact CG1-CG2 4.5Å
115F97.8Very high97.1Very high84 Ų8466 Ų6637%0.36832%0.317SS..EExtended strand (participates in β ladder)trans-107.6-24.2179.374.4-91.3000113.3K113 Y123 D125 H131 R146K113-F115 PolarHBondContact O-N 2.99Å; F115-Y123 WeakPolarHBondContact CD1-O 3.22Å; F115-Y123 HydrophobicContact CZ-CD1 4.17Å; F115-Y123 HydrophobicContact CZ-CG 4.34Å; F115-Y123 PolarHBondContact N-O 3.38Å; F115-D125 HydrophobicContact CD1-CB 3.89Å; F115-D125 HydrophobicContact CE1-CB 4.32Å; F115-H131 HydrophobicContact CE1-CB 3.77Å; F115-H131 AromaticContact CE1-CG 3.97Å; F115-H131 HydrophobicContact CZ-CB 4.35Å; F115-R146 WeakPolarHBondContact O-CG 3.48Å; F115-R146 PolarHBondContact O-NE 3.13Å
116H97.9Very high97.2Very high82 Ų8266.8 Ų66.838%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-146.2148.6178.2-167-114.4000110.9I118 Y123H116-I118 WeakPolarHBondContact CE1-CG1 3.43Å; H116-I118 VanDerWaalsContact ND1-CG1 3.32Å; H116-I118 WeakPolarHBondContact ND1-CG1 3.3Å; H116-Y123 HydrophobicContact CB-CD2 4.4Å; H116-Y123 HydrophobicContact CB-CG 4.25Å; H116-Y123 WeakPolarHBondContact O-CB 3.42Å; H116-Y123 PolarHBondContact O-N 3.05Å
117I97.6Very high97.2Very high43 Ų4364.3 Ų64.322%0.22133%0.327CS..EExtended strand (participates in β ladder)trans-134.3122.5180-61.2178.6000107.3I114 D121 L122 Y144I114-I117 HydrophobicContact CG2-CD1 4.05Å; I114-I117 HydrophobicContact CG2-CG1 3.67Å; I117-D121 WeakPolarHBondContact CA-O 3.36Å; I117-L122 HydrophobicContact CD1-CD2 4.06Å; I117-L122 HydrophobicContact CG1-CD2 3.9Å; I117-L122 HydrophobicContact CG2-CD2 4.07Å; I117-Y144 WeakPolarHBondContact CD1-O 3.19Å
118I97.4Very high97.2Very high68 Ų6861.9 Ų61.935%0.34932%0.317SS..EExtended strand (participates in β ladder)trans-119.6106.1175.7-55.7-178000107.5H116 D120 D121 Y123H116-I118 WeakPolarHBondContact CE1-CG1 3.43Å; H116-I118 VanDerWaalsContact ND1-CG1 3.32Å; H116-I118 WeakPolarHBondContact ND1-CG1 3.3Å; I118-D120 PolarHBondContact O-N 2.98Å; I118-D121 PolarHBondContact N-O 2.87Å; I118-D121 WeakPolarHBondContact O-CB 3.2Å; I118-D121 PolarHBondContact O-N 2.75Å; I118-Y123 HydrophobicContact CB-CE2 4.16Å; I118-Y123 HydrophobicContact CD1-CD2 4.42Å; I118-Y123 HydrophobicContact CD1-CE2 3.52Å; I118-Y123 HydrophobicContact CG1-CD2 4.28Å; I118-Y123 HydrophobicContact CG1-CE2 3.7Å
119K95.1Very high97.2Very high179 Ų17965.4 Ų65.478%0.77833%0.332SS*.THydrogen-bonded Turntrans54-111.7-174.8-54.9174.8-179.21770109.9R136K119-R136 PolarHBondContact O-NH2 2.9Å
120D95.1Very high97.3Very high99 Ų9960.7 Ų60.753%0.52931%0.308SS..THydrogen-bonded Turntrans-97.6-2.7179.3-57.9-40.7000113.3I118 K135 R136I118-D120 PolarHBondContact O-N 2.98Å; D120-K135 CarbonylContact O-C 3.52Å; D120-R136 HydrophobicContact CB-CB 4.37Å; D120-R136 WeakPolarHBondContact O-CB 3.31Å; D120-R136 PolarHBondContact O-N 3.47Å
121D97.1Very high97.3Very high39 Ų3961.8 Ų61.821%0.20931%0.311CS..EExtended strand (participates in β ladder)trans-89.1124.4179.2-66.9-49.5000111.1I117 I118 Y123 V133 K135I117-D121 WeakPolarHBondContact CA-O 3.36Å; I118-D121 PolarHBondContact N-O 2.87Å; I118-D121 WeakPolarHBondContact O-CB 3.2Å; I118-D121 PolarHBondContact O-N 2.75Å; D121-Y123 HydrophobicContact CB-CE2 4.31Å; D121-V133 HydrophobicContact CB-CG1 3.95Å; D121-K135 VanDerWaalsContact CG-NZ 3.29Å; D121-K135 WeakPolarHBondContact OD1-CD 3.23Å; D121-K135 WeakPolarHBondContact OD1-CE 3.16Å; D121-K135 IonicContact OD1-NZ 3.8Å; D121-K135 PolarHBondContact OD1-NZ 3.48Å; D121-K135 IonicContact OD2-NZ 3.1Å; D121-K135 PolarHBondContact OD2-NZ 3.1Å; D121-K135 VanDerWaalsContact OD2-NZ 3.15Å
122L97.8Very high97.4Very high0 Ų057.8 Ų57.80%029%0.291CS..EExtended strand (participates in β ladder)trans-103116.3179.5-53.2178.7000108.8I114 I117 I124 V133 C134 R136 Y144 L179I114-L122 HydrophobicContact CD1-CD1 4.31Å; I117-L122 HydrophobicContact CD1-CD2 4.06Å; I117-L122 HydrophobicContact CG1-CD2 3.9Å; I117-L122 HydrophobicContact CG2-CD2 4.07Å; L122-I124 HydrophobicContact CB-CD1 4.21Å; L122-I124 HydrophobicContact CB-CG1 4.15Å; L122-V133 WeakPolarHBondContact O-CA 3.37Å; L122-C134 WeakPolarHBondContact CB-O 3.29Å; L122-C134 PolarHBondContact N-O 3.09Å; L122-C134 PolarHBondContact O-N 3.18Å; L122-R136 HydrophobicContact CD1-CB 4.35Å; L122-R136 HydrophobicContact CD2-CB 4.45Å; L122-R136 HydrophobicContact CG-CB 4.34Å; L122-Y144 HydrophobicContact CD1-CD1 3.93Å; L122-Y144 HydrophobicContact CD1-CG 4.16Å; L122-L179 HydrophobicContact CD1-CD2 3.81Å
123Y98.3Very high97.4Very high59 Ų5959.8 Ų59.823%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-90.9116.1174.5-70.9-106000109.4I114 F115 H116 I118 D121 H131 V133I114-Y123 WeakPolarHBondContact CA-O 3.38Å; F115-Y123 WeakPolarHBondContact CD1-O 3.22Å; F115-Y123 HydrophobicContact CZ-CD1 4.17Å; F115-Y123 HydrophobicContact CZ-CG 4.34Å; F115-Y123 PolarHBondContact N-O 3.38Å; H116-Y123 HydrophobicContact CB-CD2 4.4Å; H116-Y123 HydrophobicContact CB-CG 4.25Å; H116-Y123 WeakPolarHBondContact O-CB 3.42Å; H116-Y123 PolarHBondContact O-N 3.05Å; I118-Y123 HydrophobicContact CB-CE2 4.16Å; I118-Y123 HydrophobicContact CD1-CD2 4.42Å; I118-Y123 HydrophobicContact CD1-CE2 3.52Å; I118-Y123 HydrophobicContact CG1-CD2 4.28Å; I118-Y123 HydrophobicContact CG1-CE2 3.7Å; D121-Y123 HydrophobicContact CB-CE2 4.31Å; Y123-H131 AromaticContact CD1-CD2 3.51Å; Y123-H131 AromaticContact CD1-NE2 3.33Å; Y123-H131 VanDerWaalsContact CD1-NE2 3.33Å; Y123-H131 WeakPolarHBondContact CD1-NE2 3.32Å; Y123-H131 AromaticContact CE1-NE2 3.59Å; Y123-V133 HydrophobicContact CD1-CG2 3.82Å; Y123-V133 HydrophobicContact CE1-CG2 3.66Å; Y123-V133 HydrophobicContact CE2-CG1 4.47Å; Y123-V133 HydrophobicContact CG-CG2 4.36Å
124I98.4Very high97.4Very high0 Ų054.5 Ų54.50%028%0.28CS..EExtended strand (participates in β ladder)trans-123.9120.2-167-46.9169.1000109.8I114 L122 H131 C132 C134 V150 L152 L179I114-I124 HydrophobicContact CG1-CG1 4.22Å; L122-I124 HydrophobicContact CB-CD1 4.21Å; L122-I124 HydrophobicContact CB-CG1 4.15Å; I124-H131 WeakPolarHBondContact O-CA 3.33Å; I124-H131 WeakPolarHBondContact O-CB 3.48Å; I124-C132 PolarHBondContact N-O 3.36Å; I124-C132 PolarHBondContact O-N 3.47Å; I124-C134 HydrophobicContact CD1-CB 3.99Å; I124-V150 HydrophobicContact CD1-CG2 4.15Å; I124-V150 HydrophobicContact CG2-CG2 3.54Å; I124-L152 HydrophobicContact CB-CD1 4.48Å; I124-L152 HydrophobicContact CD1-CD2 3.98Å; I124-L152 HydrophobicContact CG2-CD1 3.85Å; I124-L179 HydrophobicContact CD1-CD1 4.3Å
125D98.3Very high97.3Very high75 Ų7561.2 Ų61.240%0.40131%0.31SS..EExtended strand (participates in β ladder)trans-97.1130.9174.4176.126.3000110.2G112 K113 F115 G127G112-D125 CarbonylContact C-O 3.56Å; G112-D125 VanDerWaalsContact CA-O 3.24Å; G112-D125 WeakPolarHBondContact CA-O 3.35Å; K113-D125 PolarHBondContact N-O 3.49Å; K113-D125 PolarHBondContact O-N 2.82Å; F115-D125 HydrophobicContact CD1-CB 3.89Å; F115-D125 HydrophobicContact CE1-CB 4.32Å; D125-G127 PolarHBondContact OD1-N 3.1Å
126F97.4Very high97.2Very high32 Ų3260.8 Ų60.814%0.1431%0.306CS..  trans-123.914.7177.258.1-89.3000112.5V110 A128 C132 L152 L154 L157 A175V110-F126 HydrophobicContact CG2-CB 4.05Å; V110-F126 HydrophobicContact CG2-CD2 4.11Å; V110-F126 HydrophobicContact CG2-CG 4.14Å; F126-A128 HydrophobicContact CD2-CB 3.88Å; F126-A128 HydrophobicContact CE2-CB 3.27Å; F126-A128 HydrophobicContact CZ-CB 3.75Å; F126-C132 HydrophobicContact CE1-CB 4.23Å; F126-L152 HydrophobicContact CB-CD1 4.29Å; F126-L152 HydrophobicContact CD1-CD1 3.9Å; F126-L152 HydrophobicContact CG-CD1 4.36Å; F126-L154 HydrophobicContact CD1-CD2 4.45Å; F126-L154 HydrophobicContact CD2-CD1 4.45Å; F126-L154 HydrophobicContact CD2-CD2 4.12Å; F126-L154 HydrophobicContact CE1-CD2 4.07Å; F126-L154 HydrophobicContact CE2-CD1 4.04Å; F126-L154 HydrophobicContact CE2-CD2 3.67Å; F126-L154 HydrophobicContact CG-CD2 4.48Å; F126-L154 HydrophobicContact CZ-CD2 3.65Å; F126-L157 HydrophobicContact CE2-CD2 3.85Å; F126-L157 HydrophobicContact CZ-CD2 4.2Å; F126-A175 HydrophobicContact CE1-CB 3.93Å; F126-A175 HydrophobicContact CZ-CB 3.72Å
127G96Very high97.1Very high69 Ų6958.7 Ų58.771%0.71130%0.299SS*.SBendtrans86.613.4174.900000115.2D125D125-G127 PolarHBondContact OD1-N 3.1Å
128A95.9Very high96.9Very high22 Ų2263.9 Ų63.918%0.18233%0.333CS..SBendtrans-88.9-174.9169.500000111.5F126 L157F126-A128 HydrophobicContact CD2-CB 3.88Å; F126-A128 HydrophobicContact CE2-CB 3.27Å; F126-A128 HydrophobicContact CZ-CB 3.75Å; A128-L157 HydrophobicContact CB-CD2 4.3Å
129K97.1Very high96.6Very high157 Ų15766 Ų6668%0.68335%0.349SS*.SBendtrans-65-44177.4-179.8-176.3169.4-158.10111.9E158K129-E158 IonicContact NZ-OE1 3.01Å; K129-E158 IonicContact NZ-OE2 2.8Å; K129-E158 PolarHBondContact NZ-OE2 2.79Å
130F98.3Very high96.3Very high30 Ų3061.7 Ų61.713%0.13233%0.334CS..SBendtrans-114.8152178.6-60.4-70.7000111E158 L173F130-E158 HydrophobicContact CD2-CB 4.04Å; F130-E158 HydrophobicContact CD2-CG 3.79Å; F130-E158 HydrophobicContact CE2-CB 4.16Å; F130-E158 HydrophobicContact CE2-CG 3.51Å; F130-E158 WeakPolarHBondContact CE2-OE2 3.46Å; F130-E158 HydrophobicContact CZ-CG 4.49Å; F130-L173 VanDerWaalsContact CD1-C 3.47Å; F130-L173 HydrophobicContact CD1-CB 4.13Å; F130-L173 WeakPolarHBondContact CD1-O 3.44Å; F130-L173 HydrophobicContact CE1-CB 3.75Å; F130-L173 HydrophobicContact CE1-CD2 3.7Å; F130-L173 HydrophobicContact CE1-CG 4.33Å; F130-L173 HydrophobicContact CZ-CB 4.38Å; F130-L173 HydrophobicContact CZ-CD2 3.64Å
131H98.3Very high96.1Very high52 Ų5257.5 Ų57.524%0.24132%0.315CS..  trans-83.3166.2171.258.9-82.6000109.7F115 Y123 I124 A175F115-H131 HydrophobicContact CE1-CB 3.77Å; F115-H131 AromaticContact CE1-CG 3.97Å; F115-H131 HydrophobicContact CZ-CB 4.35Å; Y123-H131 AromaticContact CD1-CD2 3.51Å; Y123-H131 AromaticContact CD1-NE2 3.33Å; Y123-H131 VanDerWaalsContact CD1-NE2 3.33Å; Y123-H131 WeakPolarHBondContact CD1-NE2 3.32Å; Y123-H131 AromaticContact CE1-NE2 3.59Å; I124-H131 WeakPolarHBondContact O-CA 3.33Å; I124-H131 WeakPolarHBondContact O-CB 3.48Å; H131-A175 PolarHBondContact O-N 2.83Å
132C97.9Very high95.9Very high1 Ų163.7 Ų63.71%0.00734%0.342CS..EExtended strand (participates in β ladder)trans-108152.2168.462.60000110.2I124 F126 L152 A175 A177I124-C132 PolarHBondContact N-O 3.36Å; I124-C132 PolarHBondContact O-N 3.47Å; F126-C132 HydrophobicContact CE1-CB 4.23Å; C132-L152 VanDerWaalsContact SG-CD1 3.54Å; C132-A175 WeakPolarHBondContact CA-O 3.19Å; C132-A175 HydrophobicContact CB-CB 4.34Å; C132-A175 WeakPolarHBondContact CB-O 2.96Å; C132-A177 HydrophobicContact CB-CB 4.01Å
133V98Very high95.7Very high44 Ų4469.1 Ų69.127%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-114.2114.8175.1-175.20000108.2D121 L122 Y123D121-V133 HydrophobicContact CB-CG1 3.95Å; L122-V133 WeakPolarHBondContact O-CA 3.37Å; Y123-V133 HydrophobicContact CD1-CG2 3.82Å; Y123-V133 HydrophobicContact CE1-CG2 3.66Å; Y123-V133 HydrophobicContact CE2-CG1 4.47Å; Y123-V133 HydrophobicContact CG-CG2 4.36Å
134C97.2Very high95.5Very high9 Ų967 Ų676%0.06136%0.358CS..EExtended strand (participates in β ladder)trans-116.4145.3177.9-59.10000110.4L122 I124 A177 L179L122-C134 WeakPolarHBondContact CB-O 3.29Å; L122-C134 PolarHBondContact N-O 3.09Å; L122-C134 PolarHBondContact O-N 3.18Å; I124-C134 HydrophobicContact CD1-CB 3.99Å; C134-A177 PolarHBondContact SG-O 3.25Å; C134-A177 VanDerWaalsContact SG-O 3.35Å; C134-L179 HydrophobicContact CB-CB 3.89Å; C134-L179 HydrophobicContact CB-CD2 4.26Å
135K96.7Very high95.4Very high141 Ų14172.1 Ų72.161%0.61338%0.381SS*.EExtended strand (participates in β ladder)trans-69.6143.1171.1-65.8-71.8173.7-1700110.6D120 D121 P137D120-K135 CarbonylContact O-C 3.52Å; D121-K135 VanDerWaalsContact CG-NZ 3.29Å; D121-K135 WeakPolarHBondContact OD1-CD 3.23Å; D121-K135 WeakPolarHBondContact OD1-CE 3.16Å; D121-K135 IonicContact OD1-NZ 3.8Å; D121-K135 PolarHBondContact OD1-NZ 3.48Å; D121-K135 IonicContact OD2-NZ 3.1Å; D121-K135 PolarHBondContact OD2-NZ 3.1Å; D121-K135 VanDerWaalsContact OD2-NZ 3.15Å; K135-P137 WeakPolarHBondContact O-CD 3.39Å
136R95.9Very high95.3Very high76 Ų7677.5 Ų77.529%0.28740%0.396SS..PPolyproline II helixtrans-62.5126174-172.8-175.9-60.9-1687.3109.5K119 D120 L122K119-R136 PolarHBondContact O-NH2 2.9Å; D120-R136 HydrophobicContact CB-CB 4.37Å; D120-R136 WeakPolarHBondContact O-CB 3.31Å; D120-R136 PolarHBondContact O-N 3.47Å; L122-R136 HydrophobicContact CD1-CB 4.35Å; L122-R136 HydrophobicContact CD2-CB 4.45Å; L122-R136 HydrophobicContact CG-CB 4.34Å
137P95.7Very high95.2Very high38 Ų3877.7 Ų77.725%0.24741%0.407CS..PPolyproline II helixtrans-61.3142.7175.4-2435.5000111.5K135 V139 G141 Y144 L179K135-P137 WeakPolarHBondContact O-CD 3.39Å; P137-V139 VanDerWaalsContact C-N 3.26Å; P137-V139 PolarHBondContact O-N 3.42Å; P137-G141 WeakPolarHBondContact O-CA 3.3Å; P137-Y144 HydrophobicContact CB-CE2 4.41Å; P137-Y144 HydrophobicContact CG-CE1 4.4Å; P137-Y144 HydrophobicContact CG-CE2 3.91Å; P137-L179 HydrophobicContact CG-CD2 3.83Å
138T92.3Very high95.2Very high151 Ų15175.9 Ų75.993%0.92638%0.384SS*.SBendtrans-65-34.9175.8-46.70000111.4
139V92.1Very high95.2Very high112 Ų11281.5 Ų81.568%0.67940%0.4SS*.THydrogen-bonded Turntrans-82.5127.4176.1-173.80000108.7P137 G141P137-V139 VanDerWaalsContact C-N 3.26Å; P137-V139 PolarHBondContact O-N 3.42Å; V139-G141 PolarHBondContact O-N 2.87Å; V139-G141 VanDerWaalsContact O-N 3.15Å
140D88.3Confident95.2Very high89 Ų8974 Ų7448%0.47637%0.368SS..THydrogen-bonded Turntrans56.827.7175-71.5-29.6000115.5E142 K143 Y144D140-E142 PolarHBondContact O-N 3.18Å; D140-K143 HydrophobicContact CB-CD 3.9Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 VanDerWaalsContact CG-CE 3.49Å; D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.29Å; D140-K143 IonicContact OD1-NZ 2.81Å; D140-K143 PolarHBondContact OD1-NZ 2.86Å; D140-K143 IonicContact OD2-NZ 2.68Å; D140-K143 PolarHBondContact OD2-NZ 2.99Å; D140-Y144 WeakPolarHBondContact O-CD2 3.32Å
141G91.4Very high95.1Very high11 Ų1177.6 Ų77.611%0.11338%0.38CS..G310 helixtrans-54.9-27.9-177.500000114.6P137 V139 K143 Y144P137-G141 WeakPolarHBondContact O-CA 3.3Å; V139-G141 PolarHBondContact O-N 2.87Å; V139-G141 VanDerWaalsContact O-N 3.15Å; G141-K143 PolarHBondContact O-N 2.87Å; G141-Y144 PolarHBondContact O-N 3.29Å
142E91.9Very high95.1Very high169 Ų16975.1 Ų75.179%0.7937%0.369SS*.G310 helixtrans-65.3-24.5178.1-60.6-177.1175.600113.7D140 Y144 Q145D140-E142 PolarHBondContact O-N 3.18Å; E142-Y144 VanDerWaalsContact C-N 3.28Å; E142-Y144 PolarHBondContact O-N 3.35Å; E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 3.08Å
143K93.9Very high95.1Very high115 Ų11579.7 Ų79.750%0.539%0.386SS..G310 helixtrans-76.9-17.7180-57.9-178.5-169.6165.90112.3D140 G141 Q145 S148 L182D140-K143 HydrophobicContact CB-CD 3.9Å; D140-K143 HydrophobicContact CB-CG 4.3Å; D140-K143 VanDerWaalsContact CG-CE 3.49Å; D140-K143 WeakPolarHBondContact O-CB 3.45Å; D140-K143 PolarHBondContact O-N 3.29Å; D140-K143 IonicContact OD1-NZ 2.81Å; D140-K143 PolarHBondContact OD1-NZ 2.86Å; D140-K143 IonicContact OD2-NZ 2.68Å; D140-K143 PolarHBondContact OD2-NZ 2.99Å; G141-K143 PolarHBondContact O-N 2.87Å; K143-Q145 PolarHBondContact O-N 3.46Å; K143-S148 PolarHBondContact O-OG 3.27Å; K143-L182 HydrophobicContact CB-CD1 3.29Å; K143-L182 HydrophobicContact CD-CD1 4.25Å; K143-L182 HydrophobicContact CG-CD1 4.4Å
144Y95.6Very high95.1Very high14 Ų1477.7 Ų77.76%0.05537%0.373CS..  trans-84.379.1179-66.3-93.8000110.3I114 I117 L122 P137 D140 G141 E142 V150 L179 L182I114-Y144 HydrophobicContact CD1-CD1 4.05Å; I117-Y144 WeakPolarHBondContact CD1-O 3.19Å; L122-Y144 HydrophobicContact CD1-CD1 3.93Å; L122-Y144 HydrophobicContact CD1-CG 4.16Å; P137-Y144 HydrophobicContact CB-CE2 4.41Å; P137-Y144 HydrophobicContact CG-CE1 4.4Å; P137-Y144 HydrophobicContact CG-CE2 3.91Å; D140-Y144 WeakPolarHBondContact O-CD2 3.32Å; G141-Y144 PolarHBondContact O-N 3.29Å; E142-Y144 VanDerWaalsContact C-N 3.28Å; E142-Y144 PolarHBondContact O-N 3.35Å; Y144-V150 HydrophobicContact CD1-CG1 3.99Å; Y144-V150 HydrophobicContact CE1-CG1 3.89Å; Y144-L179 HydrophobicContact CD1-CD2 4.18Å; Y144-L179 HydrophobicContact CE1-CD1 4.13Å; Y144-L179 HydrophobicContact CE1-CD2 3.77Å; Y144-L179 HydrophobicContact CE1-CG 4.24Å; Y144-L182 HydrophobicContact CD1-CD1 4.44Å; Y144-L182 HydrophobicContact CD1-CD2 3.83Å; Y144-L182 HydrophobicContact CD1-CG 4.03Å; Y144-L182 HydrophobicContact CD2-CD1 4.09Å; Y144-L182 HydrophobicContact CD2-CG 4.49Å; Y144-L182 HydrophobicContact CE1-CD1 4.22Å; Y144-L182 HydrophobicContact CE1-CD2 3.86Å; Y144-L182 HydrophobicContact CE1-CG 3.61Å; Y144-L182 HydrophobicContact CE2-CD1 3.85Å; Y144-L182 HydrophobicContact CE2-CG 4.13Å; Y144-L182 HydrophobicContact CG-CD1 4.39Å; Y144-L182 HydrophobicContact CG-CD2 4.33Å; Y144-L182 HydrophobicContact CG-CG 4.45Å
145Q95.1Very high95.1Very high107 Ų10779.1 Ų79.150%0.538%0.379SS..  trans-102.4163.2178.2-61.8-62.6-19.700111.6E142 K143 G147 S148E142-Q145 WeakPolarHBondContact O-CG 3.32Å; E142-Q145 PolarHBondContact O-NE2 3.08Å; K143-Q145 PolarHBondContact O-N 3.46Å; Q145-G147 PolarHBondContact O-N 2.92Å; Q145-S148 PolarHBondContact N-OG 3.46Å; Q145-S148 VanDerWaalsContact O-CB 3.25Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.32Å; Q145-S148 PolarHBondContact O-OG 3.18Å
146R96.7Very high95.1Very high188 Ų18876.1 Ų76.171%0.70937%0.37SS*.THydrogen-bonded Turntrans-58.1127.6174.3-172.8-178.7-175.1-167.8-1.1109.6F115F115-R146 WeakPolarHBondContact O-CG 3.48Å; F115-R146 PolarHBondContact O-NE 3.13Å
147G95.6Very high95.2Very high36 Ų3675.1 Ų75.137%0.37137%0.37SS..THydrogen-bonded Turntrans95.1-12.1-177.100000114.8I114 Q145I114-G147 WeakPolarHBondContact O-CA 3.47Å; I114-G147 PolarHBondContact O-N 2.97Å; Q145-G147 PolarHBondContact O-N 2.92Å
148S95.3Very high95.3Very high31 Ų3176.2 Ų76.222%0.21737%0.372CS..  trans-61.6143.2175.8-67.50000111.5K113 I114 K143 Q145K113-S148 WeakPolarHBondContact CA-O 3.07Å; I114-S148 PolarHBondContact N-O 3.4Å; K143-S148 PolarHBondContact O-OG 3.27Å; Q145-S148 PolarHBondContact N-OG 3.46Å; Q145-S148 VanDerWaalsContact O-CB 3.25Å; Q145-S148 WeakPolarHBondContact O-CB 3.48Å; Q145-S148 PolarHBondContact O-N 3.32Å; Q145-S148 PolarHBondContact O-OG 3.18Å
149R96.5Very high95.5Very high140 Ų14071 Ų7153%0.52834%0.338SS..EExtended strand (participates in β ladder)trans-95135.2174.7-62.1-177.374.5-177.14.2109.8I111 G112 I183I111-R149 HydrophobicContact CG2-CB 4.5Å; G112-R149 CarbonylContact O-C 3.58Å; G112-R149 VanDerWaalsContact O-CA 3.29Å; G112-R149 WeakPolarHBondContact O-CA 3.39Å; R149-I183 HydrophobicContact CB-CB 4.31Å; R149-I183 HydrophobicContact CB-CD1 4.39Å; R149-I183 PolarHBondContact O-N 2.85Å
150V96.8Very high95.7Very high0 Ų069.1 Ų69.10%033%0.327CS..EExtended strand (participates in β ladder)trans-131.6151.8-172.8-68.90000111.1I111 G112 I114 I124 Y144 L152 L179 G181 L182I111-V150 WeakPolarHBondContact CA-O 3.38Å; G112-V150 PolarHBondContact N-O 3.35Å; G112-V150 PolarHBondContact O-N 2.91Å; I114-V150 HydrophobicContact CD1-CG1 4.06Å; I114-V150 HydrophobicContact CG1-CG1 4.2Å; I114-V150 HydrophobicContact CG1-CG2 4.5Å; I124-V150 HydrophobicContact CD1-CG2 4.15Å; I124-V150 HydrophobicContact CG2-CG2 3.54Å; Y144-V150 HydrophobicContact CD1-CG1 3.99Å; Y144-V150 HydrophobicContact CE1-CG1 3.89Å; V150-L152 HydrophobicContact CG2-CD2 4.26Å; V150-L152 HydrophobicContact CG2-CG 4.36Å; V150-L179 HydrophobicContact CB-CD1 3.65Å; V150-L179 HydrophobicContact CG1-CD1 3.9Å; V150-L179 HydrophobicContact CG2-CD1 4.08Å; V150-G181 CarbonylContact C-O 3.53Å; V150-G181 VanDerWaalsContact CA-O 3.31Å; V150-G181 WeakPolarHBondContact CA-O 3.06Å; V150-L182 HydrophobicContact CG1-CD2 3.8Å
151R97Very high96.2Very high106 Ų10667.7 Ų67.740%0.432%0.324SS..EExtended strand (participates in β ladder)trans-89.9129.1169.6-64.3-171.7178.2147.86.5109.3L180 G181 I183 D187R151-L180 HydrophobicContact CB-CB 4.21Å; R151-L180 PolarHBondContact O-N 3.47Å; R151-G181 PolarHBondContact N-O 2.56Å; R151-I183 HydrophobicContact CG-CD1 3.82Å; R151-I183 HydrophobicContact CG-CG1 3.43Å; R151-I183 VanDerWaalsContact CG-CG1 3.43Å; R151-D187 IonicContact CZ-OD2 3.15Å; R151-D187 IonicContact NH1-OD2 3.33Å; R151-D187 VanDerWaalsContact NH2-CG 3.3Å; R151-D187 IonicContact NH2-OD2 2.64Å; R151-D187 PolarHBondContact NH2-OD2 3.38Å
152L97.6Very high96.4Very high0 Ų074.5 Ų74.50%035%0.346CS..EExtended strand (participates in β ladder)trans-119.8143.9176.7-59.6175.8000109.7M109 V110 I124 F126 C132 V150 A177 F178 L179M109-L152 CarbonylContact C-O 3.6Å; M109-L152 WeakPolarHBondContact CA-O 3.16Å; V110-L152 HydrophobicContact CG2-CB 3.9Å; V110-L152 HydrophobicContact CG2-CD1 4.42Å; V110-L152 PolarHBondContact N-O 3.31Å; V110-L152 PolarHBondContact O-N 3Å; I124-L152 HydrophobicContact CB-CD1 4.48Å; I124-L152 HydrophobicContact CD1-CD2 3.98Å; I124-L152 HydrophobicContact CG2-CD1 3.85Å; F126-L152 HydrophobicContact CB-CD1 4.29Å; F126-L152 HydrophobicContact CD1-CD1 3.9Å; F126-L152 HydrophobicContact CG-CD1 4.36Å; C132-L152 VanDerWaalsContact SG-CD1 3.54Å; V150-L152 HydrophobicContact CG2-CD2 4.26Å; V150-L152 HydrophobicContact CG2-CG 4.36Å; L152-A177 HydrophobicContact CB-CB 4.39Å; L152-F178 CarbonylContact C-O 3.57Å; L152-F178 WeakPolarHBondContact CA-O 3.27Å; L152-L179 HydrophobicContact CD2-CB 4.35Å; L152-L179 HydrophobicContact CD2-CD1 3.9Å
153R97.9Very high96.7Very high97 Ų9772.7 Ų72.737%0.36634%0.336SS..EExtended strand (participates in β ladder)trans-103.2116.4160.9174.4179.9167.8-174-4.2107.6D107 K108 M109 A177 F178 L180D107-R153 IonicContact OD1-CZ 2.72Å; D107-R153 IonicContact OD1-NE 3.82Å; D107-R153 PolarHBondContact OD1-NE 3.09Å; D107-R153 IonicContact OD1-NH2 2.67Å; D107-R153 PolarHBondContact OD1-NH2 2.83Å; D107-R153 IonicContact OD2-NH2 3.61Å; K108-R153 WeakPolarHBondContact O-CA 3.25Å; M109-R153 HydrophobicContact CE-CB 4.4Å; M109-R153 HydrophobicContact SD-CB 3.96Å; R153-A177 CarbonylContact O-C 3.44Å; R153-A177 VanDerWaalsContact O-CA 3.26Å; R153-A177 WeakPolarHBondContact O-CA 3.36Å; R153-F178 HydrophobicContact CB-CB 4.41Å; R153-F178 PolarHBondContact N-O 3.36Å; R153-F178 PolarHBondContact O-N 3.35Å; R153-L180 HydrophobicContact CB-CD1 4.19Å; R153-L180 HydrophobicContact CB-CG 4.42Å
154L97.8Very high96.9Very high1 Ų176.1 Ų76.11%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-74.1140179.1-62.3-178.8000110.8M102 A105 D107 K108 V110 F126 L157 A177M102-L154 HydrophobicContact CE-CD1 4.23Å; M102-L154 HydrophobicContact SD-CD1 4.17Å; A105-L154 HydrophobicContact CB-CB 4.5Å; A105-L154 HydrophobicContact CB-CD1 4.38Å; A105-L154 VanDerWaalsContact O-CB 3.3Å; A105-L154 WeakPolarHBondContact O-CB 3.36Å; D107-L154 PolarHBondContact N-O 3.21Å; K108-L154 PolarHBondContact O-N 3.16Å; V110-L154 HydrophobicContact CB-CD1 4.42Å; V110-L154 HydrophobicContact CG1-CD1 3.62Å; V110-L154 HydrophobicContact CG1-CG 4.08Å; V110-L154 HydrophobicContact CG2-CD1 3.93Å; V110-L154 HydrophobicContact CG2-CD2 3.69Å; V110-L154 HydrophobicContact CG2-CG 3.67Å; F126-L154 HydrophobicContact CD1-CD2 4.45Å; F126-L154 HydrophobicContact CD2-CD1 4.45Å; F126-L154 HydrophobicContact CD2-CD2 4.12Å; F126-L154 HydrophobicContact CE1-CD2 4.07Å; F126-L154 HydrophobicContact CE2-CD1 4.04Å; F126-L154 HydrophobicContact CE2-CD2 3.67Å; F126-L154 HydrophobicContact CG-CD2 4.48Å; F126-L154 HydrophobicContact CZ-CD2 3.65Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; L154-A177 HydrophobicContact CD2-CB 3.96Å
155E97.5Very high96.9Very high39 Ų3979.1 Ų79.118%0.18239%0.394CS..EExtended strand (participates in β ladder)trans-104.9-61.8165.7-170.366.9-161.600108.4K106 D176K106-E155 WeakPolarHBondContact CA-O 3.5Å; K106-E155 WeakPolarHBondContact CE-OE1 3.34Å; K106-E155 IonicContact NZ-OE1 3.99Å; K106-E155 PolarHBondContact NZ-OE1 3Å; E155-D176 HydrophobicContact CB-CB 4.22Å; E155-D176 PolarHBondContact N-O 3.36Å
156D97.3Very high97Very high79 Ų7975.7 Ų75.742%0.42238%0.384SS..EExtended strand (participates in β ladder)trans-133.5144-179.3-75.9-33000112.2L159 A175 D176D156-L159 HydrophobicContact CB-CD2 4.34Å; D156-A175 WeakPolarHBondContact O-CA 3.43Å; D156-A175 WeakPolarHBondContact O-CB 3.49Å; D156-D176 HydrophobicContact CB-CB 4.35Å; D156-D176 PolarHBondContact N-O 3.38Å; D156-D176 PolarHBondContact O-N 2.94Å
157L97.2Very high97.1Very high55 Ų5574.1 Ų74.129%0.28839%0.39SS..SBendtrans-82.9-21.7178.7-65.9178.4000113.7L99 A105 F126 A128 L154 A175L99-L157 HydrophobicContact CD1-CD1 4.08Å; A105-L157 HydrophobicContact CB-CD1 3.93Å; A105-L157 HydrophobicContact CB-CD2 3.88Å; A105-L157 HydrophobicContact CB-CG 3.54Å; F126-L157 HydrophobicContact CE2-CD2 3.85Å; F126-L157 HydrophobicContact CZ-CD2 4.2Å; A128-L157 HydrophobicContact CB-CD2 4.3Å; L154-L157 HydrophobicContact CD1-CD2 3.98Å; L157-A175 WeakPolarHBondContact O-CB 3.04Å
158E96.9Very high97.2Very high60 Ų6077.3 Ų77.328%0.2840%0.402SS..SBendtrans-151.5117.9176.6-172.9178.816800107.7K129 F130 T160 T171K129-E158 IonicContact NZ-OE1 3.01Å; K129-E158 IonicContact NZ-OE2 2.8Å; K129-E158 PolarHBondContact NZ-OE2 2.79Å; F130-E158 HydrophobicContact CD2-CB 4.04Å; F130-E158 HydrophobicContact CD2-CG 3.79Å; F130-E158 HydrophobicContact CE2-CB 4.16Å; F130-E158 HydrophobicContact CE2-CG 3.51Å; F130-E158 WeakPolarHBondContact CE2-OE2 3.46Å; F130-E158 HydrophobicContact CZ-CG 4.49Å; E158-T160 HydrophobicContact CB-CG2 4.32Å; E158-T160 HydrophobicContact CG-CG2 3.6Å; E158-T160 PolarHBondContact O-N 3.25Å; E158-T160 VanDerWaalsContact O-N 3.16Å; E158-T171 WeakPolarHBondContact CG-OG1 3.42Å; E158-T171 WeakPolarHBondContact OE1-CB 3.35Å; E158-T171 PolarHBondContact OE1-OG1 3.07Å
159L96.9Very high97.3Very high43 Ų4379.8 Ų79.823%0.22541%0.413CS..  trans-74.1104.6174.1-75.4177.4000110D156 T171 L172 E174 D176D156-L159 HydrophobicContact CB-CD2 4.34Å; L159-T171 WeakPolarHBondContact O-CA 3.36Å; L159-L172 HydrophobicContact CB-CB 4.18Å; L159-L172 HydrophobicContact CB-CD1 4.12Å; L159-L172 HydrophobicContact CB-CG 4.37Å; L159-L172 HydrophobicContact CD1-CD1 3.91Å; L159-L172 PolarHBondContact O-N 3.41Å; L159-E174 HydrophobicContact CD1-CG 4.13Å; L159-E174 PolarHBondContact N-O 3.26Å; L159-D176 HydrophobicContact CD1-CB 4.12Å; L159-D176 HydrophobicContact CD2-CB 3.85Å; L159-D176 HydrophobicContact CG-CB 4.02Å
160T97.4Very high97.3Very high72 Ų7276.7 Ų76.744%0.44241%0.41SS..EExtended strand (participates in β ladder)trans-125.7143.4176.365.80000111.3E158 T170E158-T160 HydrophobicContact CB-CG2 4.32Å; E158-T160 HydrophobicContact CG-CG2 3.6Å; E158-T160 PolarHBondContact O-N 3.25Å; E158-T160 VanDerWaalsContact O-N 3.16Å; T160-T170 WeakPolarHBondContact CA-O 3.45Å
161S97.4Very high97.4Very high58 Ų5879 Ų7941%0.40642%0.424SS..EExtended strand (participates in β ladder)trans-148.9150.1173.6-167.20000111.1T170S161-T170 PolarHBondContact N-O 3.01Å; S161-T170 PolarHBondContact O-N 3.3Å
162R96.9Very high97.4Very high155 Ų15579.3 Ų79.359%0.58543%0.433SS*.  trans-110.2120.3173.8-171.6177.5-63.1-179.42.7109.5A166 D169R162-A166 HydrophobicContact CG-CB 4.48Å; R162-D169 IonicContact CZ-OD1 2.75Å; R162-D169 IonicContact NE-OD1 3.8Å; R162-D169 PolarHBondContact NE-OD1 2.91Å; R162-D169 IonicContact NH2-OD1 2.69Å; R162-D169 PolarHBondContact NH2-OD1 3.44Å; R162-D169 IonicContact NH2-OD2 2.62Å
163F96.9Very high97.4Very high130 Ų13083.9 Ų83.957%0.5746%0.457SS*.  trans-93.2158.8176-59.6-76.1000111.3G165 A166F163-G165 PolarHBondContact O-N 3.39Å; F163-A166 WeakPolarHBondContact O-CB 3.4Å; F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.1Å
164L97.9Very high97.3Very high187 Ų18782.3 Ų82.398%0.97945%0.454SS*.THydrogen-bonded Turntrans-59.4131.8178-176.566.5000110.6A166L164-A166 VanDerWaalsContact C-N 3.3Å
165G97.1Very high97.3Very high77 Ų7782.4 Ų82.479%0.79446%0.455SS*.THydrogen-bonded Turntrans85-4.8-17800000114.7F163F163-G165 PolarHBondContact O-N 3.39Å
166A97.4Very high97.4Very high36 Ų3683.3 Ų83.330%0.29846%0.461SS..  trans-85.7134.2172.200000111.2R162 F163 L164R162-A166 HydrophobicContact CG-CB 4.48Å; F163-A166 WeakPolarHBondContact O-CB 3.4Å; F163-A166 PolarHBondContact O-N 2.74Å; F163-A166 VanDerWaalsContact O-N 3.1Å; L164-A166 VanDerWaalsContact C-N 3.3Å
167N97.2Very high97.4Very high155 Ų15580 Ų8083%0.82944%0.444SS*.SBendtrans-82.8-18.9173.4-66.9-26.1000112.6
168T97.6Very high97.4Very high102 Ų10282.8 Ų82.863%0.62645%0.454SS*.SBendtrans-134.4156.5-17557.50000110.4
169D98.1Very high97.4Very high83 Ų8381.5 Ų81.544%0.44445%0.449SS..  trans-72.9143.5178.2-59.1-7.8000110.1R162R162-D169 IonicContact CZ-OD1 2.75Å; R162-D169 IonicContact NE-OD1 3.8Å; R162-D169 PolarHBondContact NE-OD1 2.91Å; R162-D169 IonicContact NH2-OD1 2.69Å; R162-D169 PolarHBondContact NH2-OD1 3.44Å; R162-D169 IonicContact NH2-OD2 2.62Å
170T97.3Very high97.3Very high75 Ų7583.9 Ų83.946%0.4646%0.462SS..EExtended strand (participates in β ladder)trans-97.1129.3172.2-55.10000108.4T160 S161T160-T170 WeakPolarHBondContact CA-O 3.45Å; S161-T170 PolarHBondContact N-O 3.01Å; S161-T170 PolarHBondContact O-N 3.3Å
171T97.6Very high97.2Very high49 Ų4981.2 Ų81.230%0.30145%0.448SS..EExtended strand (participates in β ladder)trans-115.1139.6-179.1178.10000110.4E158 L159 L173E158-T171 WeakPolarHBondContact CG-OG1 3.42Å; E158-T171 WeakPolarHBondContact OE1-CB 3.35Å; E158-T171 PolarHBondContact OE1-OG1 3.07Å; L159-T171 WeakPolarHBondContact O-CA 3.36Å; T171-L173 VanDerWaalsContact C-N 3.29Å; T171-L173 HydrophobicContact CG2-CD2 3.48Å; T171-L173 VanDerWaalsContact CG2-CD2 3.48Å; T171-L173 HydrophobicContact CG2-CG 4.15Å; T171-L173 PolarHBondContact OG1-N 3.49Å
172L96.9Very high97Very high112 Ų11280.7 Ų80.759%0.58644%0.441SS*.  trans-83.6-6.4174.2-64.4178.8000112.8L159 E174L159-L172 HydrophobicContact CB-CB 4.18Å; L159-L172 HydrophobicContact CB-CD1 4.12Å; L159-L172 HydrophobicContact CB-CG 4.37Å; L159-L172 HydrophobicContact CD1-CD1 3.91Å; L159-L172 PolarHBondContact O-N 3.41Å; L172-E174 HydrophobicContact CB-CG 3.91Å; L172-E174 PolarHBondContact O-N 3.23Å
173L97.5Very high96.8Very high97 Ų9774.7 Ų74.751%0.50842%0.42SS..SBendtrans58.529.8-177.7-52176.9000113.5F130 T171F130-L173 VanDerWaalsContact CD1-C 3.47Å; F130-L173 HydrophobicContact CD1-CB 4.13Å; F130-L173 WeakPolarHBondContact CD1-O 3.44Å; F130-L173 HydrophobicContact CE1-CB 3.75Å; F130-L173 HydrophobicContact CE1-CD2 3.7Å; F130-L173 HydrophobicContact CE1-CG 4.33Å; F130-L173 HydrophobicContact CZ-CB 4.38Å; F130-L173 HydrophobicContact CZ-CD2 3.64Å; T171-L173 VanDerWaalsContact C-N 3.29Å; T171-L173 HydrophobicContact CG2-CD2 3.48Å; T171-L173 VanDerWaalsContact CG2-CD2 3.48Å; T171-L173 HydrophobicContact CG2-CG 4.15Å; T171-L173 PolarHBondContact OG1-N 3.49Å
174E97.3Very high96.1Very high63 Ų6374.4 Ų74.429%0.29442%0.421SS..  trans-138.1152.6175.366.3-172.2-178.400110.5L159 L172L159-E174 HydrophobicContact CD1-CG 4.13Å; L159-E174 PolarHBondContact N-O 3.26Å; L172-E174 HydrophobicContact CB-CG 3.91Å; L172-E174 PolarHBondContact O-N 3.23Å
175A98.1Very high94.7Very high4 Ų470.7 Ų70.73%0.03341%0.41CS..BIsolated β-bridgetrans-91.6148.9171.900000110F126 H131 C132 D156 L157F126-A175 HydrophobicContact CE1-CB 3.93Å; F126-A175 HydrophobicContact CZ-CB 3.72Å; H131-A175 PolarHBondContact O-N 2.83Å; C132-A175 WeakPolarHBondContact CA-O 3.19Å; C132-A175 HydrophobicContact CB-CB 4.34Å; C132-A175 WeakPolarHBondContact CB-O 2.96Å; D156-A175 WeakPolarHBondContact O-CA 3.43Å; D156-A175 WeakPolarHBondContact O-CB 3.49Å; L157-A175 WeakPolarHBondContact O-CB 3.04Å
176D97.9Very high93Very high57 Ų5774.9 Ų74.931%0.30541%0.407SS..EExtended strand (participates in β ladder)trans-99.7128.9175.4-167.512.4000111E155 D156 L159E155-D176 HydrophobicContact CB-CB 4.22Å; E155-D176 PolarHBondContact N-O 3.36Å; D156-D176 HydrophobicContact CB-CB 4.35Å; D156-D176 PolarHBondContact N-O 3.38Å; D156-D176 PolarHBondContact O-N 2.94Å; L159-D176 HydrophobicContact CD1-CB 4.12Å; L159-D176 HydrophobicContact CD2-CB 3.85Å; L159-D176 HydrophobicContact CG-CB 4.02Å
177A98Very high91Very high9 Ų976.9 Ų76.97%0.07441%0.412CS..EExtended strand (participates in β ladder)trans-158.8148.9-177.800000112C132 C134 L152 R153 L154C132-A177 HydrophobicContact CB-CB 4.01Å; C134-A177 PolarHBondContact SG-O 3.25Å; C134-A177 VanDerWaalsContact SG-O 3.35Å; L152-A177 HydrophobicContact CB-CB 4.39Å; R153-A177 CarbonylContact O-C 3.44Å; R153-A177 VanDerWaalsContact O-CA 3.26Å; R153-A177 WeakPolarHBondContact O-CA 3.36Å; L154-A177 HydrophobicContact CD2-CB 3.96Å
178F97.5Very high89Confident114 Ų11473.3 Ų73.350%0.540%0.404SS..EExtended strand (participates in β ladder)trans-95.9126.9173.9-65.4-82.4000111.2L152 R153 L180L152-F178 CarbonylContact C-O 3.57Å; L152-F178 WeakPolarHBondContact CA-O 3.27Å; R153-F178 HydrophobicContact CB-CB 4.41Å; R153-F178 PolarHBondContact N-O 3.36Å; R153-F178 PolarHBondContact O-N 3.35Å; F178-L180 PolarHBondContact O-N 2.8Å
179L96.9Very high86.8Confident33 Ų3377.1 Ų77.117%0.17341%0.412CS..EExtended strand (participates in β ladder)trans-77.5112.2173.4179.560.9000110.6L122 I124 C134 P137 Y144 V150 L152L122-L179 HydrophobicContact CD1-CD2 3.81Å; I124-L179 HydrophobicContact CD1-CD1 4.3Å; C134-L179 HydrophobicContact CB-CB 3.89Å; C134-L179 HydrophobicContact CB-CD2 4.26Å; P137-L179 HydrophobicContact CG-CD2 3.83Å; Y144-L179 HydrophobicContact CD1-CD2 4.18Å; Y144-L179 HydrophobicContact CE1-CD1 4.13Å; Y144-L179 HydrophobicContact CE1-CD2 3.77Å; Y144-L179 HydrophobicContact CE1-CG 4.24Å; V150-L179 HydrophobicContact CB-CD1 3.65Å; V150-L179 HydrophobicContact CG1-CD1 3.9Å; V150-L179 HydrophobicContact CG2-CD1 4.08Å; L152-L179 HydrophobicContact CD2-CB 4.35Å; L152-L179 HydrophobicContact CD2-CD1 3.9Å
180L95.2Very high84.5Confident93 Ų9378.8 Ų78.849%0.48743%0.425SS..EExtended strand (participates in β ladder)trans-89.3-39.9-178.8-61.6177.2000112.7M109 R151 R153 F178M109-L180 HydrophobicContact CE-CD1 3.61Å; M109-L180 HydrophobicContact SD-CD1 3.29Å; M109-L180 WeakPolarHBondContact SD-CD1 3.33Å; R151-L180 HydrophobicContact CB-CB 4.21Å; R151-L180 PolarHBondContact O-N 3.47Å; R153-L180 HydrophobicContact CB-CD1 4.19Å; R153-L180 HydrophobicContact CB-CG 4.42Å; F178-L180 PolarHBondContact O-N 2.8Å
181G94.3Very high82.1Confident16 Ų1685.2 Ų85.217%0.16545%0.447CS..EExtended strand (participates in β ladder)trans171.5173.6-173.500000114.1V150 R151V150-G181 CarbonylContact C-O 3.53Å; V150-G181 VanDerWaalsContact CA-O 3.31Å; V150-G181 WeakPolarHBondContact CA-O 3.06Å; R151-G181 PolarHBondContact N-O 2.56Å
182L93.8Very high79.2Confident47 Ų4795.4 Ų95.425%0.24649%0.491CS..EExtended strand (participates in β ladder)trans-78.3151.3170.7-71.6158.5000110.7K143 Y144 V150K143-L182 HydrophobicContact CB-CD1 3.29Å; K143-L182 HydrophobicContact CD-CD1 4.25Å; K143-L182 HydrophobicContact CG-CD1 4.4Å; Y144-L182 HydrophobicContact CD1-CD1 4.44Å; Y144-L182 HydrophobicContact CD1-CD2 3.83Å; Y144-L182 HydrophobicContact CD1-CG 4.03Å; Y144-L182 HydrophobicContact CD2-CD1 4.09Å; Y144-L182 HydrophobicContact CD2-CG 4.49Å; Y144-L182 HydrophobicContact CE1-CD1 4.22Å; Y144-L182 HydrophobicContact CE1-CD2 3.86Å; Y144-L182 HydrophobicContact CE1-CG 3.61Å; Y144-L182 HydrophobicContact CE2-CD1 3.85Å; Y144-L182 HydrophobicContact CE2-CG 4.13Å; Y144-L182 HydrophobicContact CG-CD1 4.39Å; Y144-L182 HydrophobicContact CG-CD2 4.33Å; Y144-L182 HydrophobicContact CG-CG 4.45Å; V150-L182 HydrophobicContact CG1-CD2 3.8Å
183I91.8Very high78.3Confident30 Ų3094.6 Ų94.615%0.15449%0.486CS..  trans-93.5111.6169.9-68.7162.4000108I111 R149 R151I111-I183 HydrophobicContact CB-CD1 3.92Å; I111-I183 HydrophobicContact CD1-CD1 3.86Å; I111-I183 HydrophobicContact CG1-CD1 3.61Å; I111-I183 HydrophobicContact CG2-CD1 3.31Å; R149-I183 HydrophobicContact CB-CB 4.31Å; R149-I183 HydrophobicContact CB-CD1 4.39Å; R149-I183 PolarHBondContact O-N 2.85Å; R151-I183 HydrophobicContact CG-CD1 3.82Å; R151-I183 HydrophobicContact CG-CG1 3.43Å; R151-I183 VanDerWaalsContact CG-CG1 3.43Å
184E82.7Confident77.3Confident124 Ų12494.5 Ų94.558%0.57949%0.485SS*.  trans-72.9141.3169.8-61.9-169.3174.300109.9K186 D187E184-K186 PolarHBondContact O-N 2.75Å; E184-D187 PolarHBondContact O-N 3.15Å
185S67.9Low76.1Confident109 Ų10996.2 Ų96.276%0.76250%0.496SS*.THydrogen-bonded Turntrans-60-13.6-179.2-41.60000113.8
186K62Low74.9Confident165 Ų165101.6 Ų101.672%0.71752%0.523SS*.THydrogen-bonded Turntrans-69.7-33.4175.2-71178.9177.91750112.5E184 A188 K189E184-K186 PolarHBondContact O-N 2.75Å; K186-A188 VanDerWaalsContact C-N 3.26Å; K186-A188 PolarHBondContact O-N 2.69Å; K186-K189 PolarHBondContact O-N 3.33Å
187D56.2Low73.4Confident78 Ų78104.4 Ų104.442%0.41754%0.537SS..G310 helixtrans-77.6-10.3-177.9-68.6-28.8000113.6R151 E184 K189R151-D187 IonicContact CZ-OD2 3.15Å; R151-D187 IonicContact NH1-OD2 3.33Å; R151-D187 VanDerWaalsContact NH2-CG 3.3Å; R151-D187 IonicContact NH2-OD2 2.64Å; R151-D187 PolarHBondContact NH2-OD2 3.38Å; E184-D187 PolarHBondContact O-N 3.15Å; D187-K189 PolarHBondContact O-N 3.29Å
188A54.4Low71.8Confident79 Ų79110.8 Ų110.865%0.65357%0.568SS**G310 helixtrans-71.8-10.4175.600000113.3K186K186-A188 VanDerWaalsContact C-N 3.26Å; K186-A188 PolarHBondContact O-N 2.69Å
189K52Low69.9Low183 Ų183110.6 Ų110.680%0.79657%0.573SS**G310 helixtrans-97.2-8.2-176.5-71.5-170177.1-175.20115K186 D187 K191K186-K189 PolarHBondContact O-N 3.33Å; D187-K189 PolarHBondContact O-N 3.29Å; K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 3.1Å
190T49.9Very low67.9Low118 Ų118116.5 Ų116.572%0.72460%0.603SS**  trans-94.924.5-169.9-33.80000114
191K46.2Very low65.6Low210 Ų210118.5 Ų118.591%0.91361%0.613SS**  trans-122.883166.3-89.6-170.1173.3-174.30108.9K189K189-K191 VanDerWaalsContact C-N 3.35Å; K189-K191 PolarHBondContact O-N 3.1Å
192E36Very low63Low263 Ų263127.8 Ų127.8100%1.22965%0.654SS**  trans-118.90153.5-158176.6-171.400107.6

Retrieved 192 of 192 residues in 212.4 ms (Link to these results)