A0A060Z3X8_ONCMY Loading...

Heat shock protein family, member 7 (cardiovascular)

AlphaFold DB (B5XD67), UniProt , Accession A0A060Z3X8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hspb7, Length 159 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.3Very low47.1Very low250 Ų250147.3 Ų147.3100%1.23283%0.827SS**  0141.50-58.5-177.1-173.200107.5
2S47.9Very low46.9Very low109 Ų109143.5 Ų143.576%0.76280%0.798SS**  trans-79.4147.5-151.8-47.60000115.6
3V42.9Very low46.6Very low126 Ų126147.6 Ų147.676%0.76479%0.794SS**  trans45.7115.7139.5-540000120.3
4T49.8Very low46.6Very low113 Ų113144.7 Ų144.769%0.69379%0.791SS**  86.610785.5-46.10000112.4S6T4-S6 WeakPolarHBondContact CG2-OG 3.47Å
5N39.7Very low46.2Very low169 Ų169147.3 Ų147.390%0.90479%0.792SS**  trans-114.795.4162-168.112000107.9
6S50Low45.5Very low100 Ų100148.2 Ų148.270%0.69979%0.789SS**  trans-91.8128.6177.8-66.10000110.1T4T4-S6 WeakPolarHBondContact CG2-OG 3.47Å
7S49.7Very low45.2Very low114 Ų114150.6 Ų150.680%0.79780%0.795SS**  trans-78.5162.617743.60000113.5
8A51.8Low44.4Very low88 Ų88150.6 Ų150.673%0.72780%0.802SS**  trans73.5114.1155.900000118.5
9Y46.3Very low44.3Very low242 Ų242148.5 Ų148.595%0.94980%0.8SS**  trans-144122.1133.8-111.3-85000111
10R51.6Low44Very low182 Ų182147 Ų14769%0.68780%0.802SS**  trans-84.6140.6171.5177.1-172.4-165.2-89.6-4.1108E12R10-E12 IonicContact CZ-OE2 3.08Å; R10-E12 VanDerWaalsContact CZ-OE2 3.31Å; R10-E12 IonicContact NH1-OE2 3.01Å; R10-E12 PolarHBondContact NH1-OE2 2.88Å; R10-E12 VanDerWaalsContact NH2-CD 3.25Å; R10-E12 IonicContact NH2-OE1 2.71Å; R10-E12 IonicContact NH2-OE2 2.91Å; R10-E12 PolarHBondContact NH2-OE2 2.62Å; R10-E12 VanDerWaalsContact NH2-OE2 3.09Å
11S43.3Very low43.5Very low127 Ų127145.1 Ų145.189%0.88880%0.8SS**  trans-159.4140.7144.3-134.10000113.3
12E44.2Very low42.9Very low102 Ų102137.9 Ų137.948%0.47777%0.773SS.*  trans-96.6172.3-173.7-59.5176.694.200111.7R10R10-E12 IonicContact CZ-OE2 3.08Å; R10-E12 VanDerWaalsContact CZ-OE2 3.31Å; R10-E12 IonicContact NH1-OE2 3.01Å; R10-E12 PolarHBondContact NH1-OE2 2.88Å; R10-E12 VanDerWaalsContact NH2-CD 3.25Å; R10-E12 IonicContact NH2-OE1 2.71Å; R10-E12 IonicContact NH2-OE2 2.91Å; R10-E12 PolarHBondContact NH2-OE2 2.62Å; R10-E12 VanDerWaalsContact NH2-OE2 3.09Å
13R42.9Very low42.3Very low197 Ų197137.4 Ų137.474%0.74377%0.77SS**  trans115.991.5143.8-48.2-146.7-147.4-63.3-2.5117.5
14S47.4Very low41.9Very low107 Ų107136.6 Ų136.675%0.74877%0.77SS**  42.6120.3114.8-159.50000120.6
15F39.9Very low41.2Very low183 Ų183135.7 Ų135.780%0.80377%0.769SS**  trans-150.1112145.4-79.4-74.9000112.7
16Q35.7Very low41Very low162 Ų162135.8 Ų135.876%0.75777%0.769SS**  trans42113.3140.4-65.2152.229.800120.2
17Q40.4Very low40.4Very low190 Ų190138.3 Ų138.389%0.88878%0.775SS**  52108.781.9-77.4-164.755.400116.8
18T30.6Very low40.5Very low150 Ų150138.4 Ų138.492%0.9277%0.773SS**  trans-146.1124.6136.457.80000110.7
19S41.5Very low39.4Very low110 Ų110144.4 Ų144.477%0.76978%0.778SS**  trans-91.3147.117248.30000111.8
20S38.1Very low39.8Very low119 Ų119141.1 Ų141.183%0.83277%0.773SS**  trans-166.4129.6136.245.50000113
21S35.3Very low39.1Very low108 Ų108138.9 Ų138.976%0.75577%0.771SS**  trans-53.3165.2159.153.40000112.1
22S32.5Very low39Very low97 Ų97140.8 Ų140.868%0.67876%0.763SS**  cis177136.349.245.30000110.5
23S35.1Very low39Very low100 Ų100141.7 Ų141.770%0.69978%0.781SS**  trans44.4140.5133.170.40000125
24S33.1Very low39.1Very low108 Ų108144.2 Ų144.276%0.75579%0.79SS**  trans92.7140.9140.5-52.90000117.5
25S36Very low39Very low95 Ų95142.4 Ų142.466%0.66479%0.788SS**  cis178.5141.9-11.4-89.80000104.6
26N35Very low39.3Very low170 Ų170141.7 Ų141.791%0.90979%0.792SS**  trans-158.3110148-95.2-18.3000109.4
27N37.5Very low39.5Very low153 Ų153142.8 Ų142.882%0.81879%0.794SS**  trans-82.6-165.4170.3-76.6-18.7000109.9
28P51.7Low39.9Very low117 Ų117137.7 Ų137.776%0.7679%0.785SS**  -133.9169.3-68.339.3-23.6000112.1
29Y29.6Very low40.9Very low214 Ų214139.2 Ų139.284%0.83978%0.782SS**  trans-154.7117146.4-171.8-105.2000109.5
30M53.7Low41.2Very low173 Ų173140.8 Ų140.885%0.85278%0.781SS**  trans-94.3136.3172.1-87.7-174.515300108.8
31E36.8Very low41.3Very low134 Ų134144.1 Ų144.163%0.62678%0.781SS**  trans-156.1126131.9-162.7110.687.400111.8
32K41.6Very low41.5Very low168 Ų168142.6 Ų142.673%0.7378%0.783SS**  trans-1.1137.2155.9-59.3158.4-171.51300117.7
33S44.7Very low42.3Very low121 Ų121143.3 Ų143.385%0.84679%0.788SS**  -160123.9124.4-76.20000110.2
34R44.3Very low42.8Very low250 Ų250146.6 Ų146.694%0.94379%0.79SS**  trans-60.2142.9163.8-69.9172167.7133.8-4107.8
35G46Very low43.7Very low69 Ų69149.7 Ų149.771%0.71180%0.795SS**  trans-59.7168.2-169.800000115.2
36L46.2Very low44.4Very low167 Ų167156.5 Ų156.587%0.87481%0.806SS**  trans175.7142.3139.6-89166000107.4
37F39.3Very low44.6Very low185 Ų185155 Ų15581%0.81181%0.805SS**  trans73.590.7-176-81.5-96.5000114.9
38A50.3Low44.6Very low83 Ų83150.6 Ų150.669%0.68680%0.796SS**  50.887.453.100000112.2
39E49.8Very low44Very low182 Ų182151.3 Ų151.385%0.8580%0.799SS**  169.4139.7122-89175.6111.200109.6
40D48.1Very low44.5Very low143 Ų143149.1 Ų149.177%0.76580%0.801SS**SBendtrans66.676.8164.8-154-109.6000119.4
41F40.2Very low43.9Very low189 Ų189144.7 Ų144.783%0.82979%0.793SS**  trans-162.548.4151.7-106.3-71.9000112F44F41-F44 HydrophobicContact CD1-CE2 4.37Å; F41-F44 HydrophobicContact CE1-CE2 4.18Å
42G40.7Very low44.2Very low77 Ų77145.3 Ų145.379%0.79480%0.799SS**  trans-121.948.3-172.300000114.8
43S48.3Very low44.1Very low112 Ų112140.9 Ų140.978%0.78380%0.802SS**  trans-159.869.9168.339.10000112.1
44F47.2Very low44.2Very low168 Ų168140.6 Ų140.674%0.73779%0.785SS**  trans-105.5119.8160-90.2-93.9000109.1F41F41-F44 HydrophobicContact CD1-CE2 4.37Å; F41-F44 HydrophobicContact CE1-CE2 4.18Å
45M51.3Low44Very low174 Ų174133.6 Ų133.686%0.85777%0.772SS**  trans87.462.1174.3-44.8-50.8177.500116.9
46R49.3Very low44Very low238 Ų238135.2 Ų135.290%0.89877%0.772SS**  trans-108.1128.4137.6-113.8-179.1165.3-158.4-4.4107G48R46-G48 PolarHBondContact O-N 3.05Å
47P39.8Very low44.3Very low137 Ų137137.9 Ų137.989%0.8977%0.771SS**  trans-71.896.7176.517.1-9.7000108.4
48G38Very low44.7Very low62 Ų62135.2 Ų135.264%0.63977%0.77SS**  trans-84.9119.1172.900000109.4R46 D50R46-G48 PolarHBondContact O-N 3.05Å; G48-D50 PolarHBondContact O-N 2.92Å
49T39.7Very low44.8Very low132 Ų132133.1 Ų133.181%0.8176%0.756SS**  trans-71.3115.9163.352.90000107.6A51T49-A51 PolarHBondContact O-N 2.89Å
50D39.3Very low44.8Very low167 Ų167130 Ų13089%0.89375%0.75SS**  trans-67.677.5169.4-69.7-65.6000109.8G48G48-D50 PolarHBondContact O-N 2.92Å
51A41.5Very low45.3Very low81 Ų81127.2 Ų127.267%0.66975%0.747SS**  trans-79.4111.7156.800000106.3T49 G53T49-A51 PolarHBondContact O-N 2.89Å; A51-G53 PolarHBondContact O-N 3.45Å
52L42.7Very low46.3Very low146 Ų146119 Ų11976%0.76472%0.715SS**  trans-44.4112.2163.3-62.8171.1000107.6F54L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 HydrophobicContact CB-CE2 4.49Å; L52-F54 VanDerWaalsContact O-CD2 3.25Å; L52-F54 WeakPolarHBondContact O-CD2 3.32Å; L52-F54 PolarHBondContact O-N 2.67Å
53G38.9Very low48Very low76 Ų76124.1 Ų124.178%0.78472%0.716SS**  trans-68.584.5-173.400000110.6A51A51-G53 PolarHBondContact O-N 3.45Å
54F46.8Very low49.9Very low115 Ų115121.1 Ų121.150%0.50469%0.69SS.*  trans-60.1124.7158.1-64-80.3000106.7L52 S56 V107 M108L52-F54 VanDerWaalsContact C-N 3.27Å; L52-F54 HydrophobicContact CB-CE2 4.49Å; L52-F54 VanDerWaalsContact O-CD2 3.25Å; L52-F54 WeakPolarHBondContact O-CD2 3.32Å; L52-F54 PolarHBondContact O-N 2.67Å; F54-S56 PolarHBondContact O-N 2.75Å; F54-V107 WeakPolarHBondContact CE1-O 3.35Å; F54-V107 WeakPolarHBondContact CZ-O 3.44Å; F54-M108 WeakPolarHBondContact CD1-O 3.18Å; F54-M108 WeakPolarHBondContact CE1-O 3.49Å
55P41.5Very low52Low103 Ų103118.7 Ų118.767%0.66968%0.68SS**  trans-65.393.417227.9-32.4000107.1R57P55-R57 PolarHBondContact O-N 2.78Å
56S45.3Very low54Low102 Ų102114.3 Ų114.371%0.71366%0.663SS**  trans-65.389.7162.9-172.90000105.7F54 T58F54-S56 PolarHBondContact O-N 2.75Å; S56-T58 PolarHBondContact O-N 2.82Å
57R52Low55.9Low223 Ų223107.2 Ų107.284%0.84264%0.641SS**  trans-6392.8166.6-71.6179.6136.5-132.2-2.5105P55 G59P55-R57 PolarHBondContact O-N 2.78Å; R57-G59 PolarHBondContact O-N 3.09Å
58T48Very low58.3Low129 Ų129103.5 Ų103.579%0.79163%0.627SS**  trans-52.5108.9169.439.60000107S56 T60S56-T58 PolarHBondContact O-N 2.82Å; T58-T60 PolarHBondContact O-N 2.98Å
59G51.6Low60.8Low39 Ų39104.3 Ų104.340%0.40262%0.617SS.*  trans-53.3122.4-169.700000110.1R57 A61R57-G59 PolarHBondContact O-N 3.09Å; G59-A61 PolarHBondContact O-N 3.08Å
60T50.5Low63.3Low117 Ų11799.1 Ų99.172%0.71859%0.586SS**  trans-45.2126.9164.8-48.70000107.6T58 G62 H113T58-T60 PolarHBondContact O-N 2.98Å; T60-G62 PolarHBondContact O-N 2.75Å; T60-H113 PolarHBondContact O-CE1 3.18Å; T60-H113 PolarHBondContact O-NE2 3.06Å
61A57.9Low65.9Low85 Ų8591.9 Ų91.970%0.70255%0.546SS*.  trans-59.7109.2175.100000108.5G59 K63G59-A61 PolarHBondContact O-N 3.08Å; A61-K63 PolarHBondContact O-N 3.25Å
62G62Low68.5Low16 Ų1690.1 Ų90.117%0.16552%0.524CS..  trans-68.6135.4-171.900000110.8T60 I64 H113T60-G62 PolarHBondContact O-N 2.75Å; G62-I64 PolarHBondContact O-N 3.39Å; G62-H113 WeakPolarHBondContact CA-NE2 3.31Å; G62-H113 PolarHBondContact N-NE2 2.81Å
63K75.6Confident70.9Confident185 Ų18583.2 Ų83.280%0.80449%0.488SS*.  trans-75.9109.8178.6-76.3-163.7173.4-157.30109.4A61A61-K63 PolarHBondContact O-N 3.25Å
64I89.2Confident73.6Confident48 Ų4882.1 Ų82.125%0.24647%0.466CS..  trans-66.7137160.8-162.9168.8000109.3G62 Y71 L117G62-I64 PolarHBondContact O-N 3.39Å; I64-Y71 HydrophobicContact CD1-CD1 4.18Å; I64-Y71 HydrophobicContact CD1-CG 4.07Å; I64-Y71 HydrophobicContact CG1-CD1 4.34Å; I64-Y71 HydrophobicContact CG1-CG 4.49Å; I64-L117 HydrophobicContact CD1-CD2 3.45Å; I64-L117 VanDerWaalsContact CD1-CD2 3.45Å
65K91.9Very high75.8Confident117 Ų11777 Ų7751%0.50944%0.444SS..EExtended strand (participates in β ladder)trans-112.4134.6178.3-60.6-178.8-180176.80109.2M67 Y71 Q72K65-M67 HydrophobicContact CB-CE 3.62Å; K65-M67 HydrophobicContact CD-CE 4.17Å; K65-M67 HydrophobicContact CG-CE 4.5Å; K65-Y71 CarbonylContact O-C 3.59Å; K65-Y71 WeakPolarHBondContact O-CA 3.46Å; K65-Q72 PolarHBondContact N-O 2.91Å; K65-Q72 PolarHBondContact O-N 3.42Å
66T91.8Very high78.4Confident82 Ų8275.6 Ų75.650%0.50343%0.431SS..EExtended strand (participates in β ladder)trans-86.9123172.7-47.80000109.5Y71T66-Y71 HydrophobicContact CG2-CD1 4.26Å; T66-Y71 HydrophobicContact CG2-CE1 3.85Å; T66-Y71 WeakPolarHBondContact OG1-CE1 3.49Å
67M91Very high80.7Confident90 Ų9070.9 Ų70.944%0.44340%0.398SS..EExtended strand (participates in β ladder)trans-116.570.1-179.5-66.4-65.8130.800109.1K65 D69 S70 Q72K65-M67 HydrophobicContact CB-CE 3.62Å; K65-M67 HydrophobicContact CD-CE 4.17Å; K65-M67 HydrophobicContact CG-CE 4.5Å; M67-D69 PolarHBondContact O-N 3.36Å; M67-S70 CarbonylContact C-O 3.56Å; M67-S70 WeakPolarHBondContact CA-O 3.48Å; M67-S70 WeakPolarHBondContact CB-OG 3.18Å; M67-S70 PolarHBondContact N-O 2.81Å; M67-S70 PolarHBondContact O-N 3.23Å; M67-S70 PolarHBondContact O-OG 3.23Å; M67-S70 VanDerWaalsContact O-OG 3.09Å; M67-Q72 HydrophobicContact CG-CB 4.08Å
68G89.1Confident82.8Confident58 Ų5866.3 Ų66.360%0.59839%0.386SS*.THydrogen-bonded Turntrans63.4-98.9-178.900000112.7R142G68-R142 WeakPolarHBondContact O-CD 3.3Å; G68-R142 PolarHBondContact O-NH1 2.74Å
69D90.3Very high85Confident80 Ų8064.6 Ų64.643%0.42837%0.372SS..THydrogen-bonded Turntrans-97.511.9179.668.9-20.8000113.6M67 R141 R142M67-D69 PolarHBondContact O-N 3.36Å; D69-R141 IonicContact OD1-NH1 3.68Å; D69-R141 IonicContact OD2-CZ 3.03Å; D69-R141 IonicContact OD2-NH1 2.62Å; D69-R141 PolarHBondContact OD2-NH1 3.01Å; D69-R141 IonicContact OD2-NH2 2.88Å; D69-R141 PolarHBondContact OD2-NH2 2.67Å; D69-R142 WeakPolarHBondContact O-CB 3.42Å; D69-R142 WeakPolarHBondContact O-CG 3.37Å; D69-R142 PolarHBondContact O-N 2.89Å
70S93Very high87.1Confident23 Ų2363.7 Ų63.716%0.16136%0.357CS..EExtended strand (participates in β ladder)trans-139.4162.1176.360.30000112.4M67 A140M67-S70 CarbonylContact C-O 3.56Å; M67-S70 WeakPolarHBondContact CA-O 3.48Å; M67-S70 WeakPolarHBondContact CB-OG 3.18Å; M67-S70 PolarHBondContact N-O 2.81Å; M67-S70 PolarHBondContact O-N 3.23Å; M67-S70 PolarHBondContact O-OG 3.23Å; M67-S70 VanDerWaalsContact O-OG 3.09Å; S70-A140 CarbonylContact C-O 3.52Å; S70-A140 WeakPolarHBondContact CA-O 3.24Å; S70-A140 VanDerWaalsContact CB-O 3.3Å; S70-A140 WeakPolarHBondContact CB-O 3.29Å
71Y94.4Very high89.1Confident14 Ų1460.2 Ų60.26%0.05534%0.338CS..EExtended strand (participates in β ladder)trans-108.4145.1165.8-63.5-73.4000109.8I64 K65 T66 P118 D120 V121 K139 A140 R142I64-Y71 HydrophobicContact CD1-CD1 4.18Å; I64-Y71 HydrophobicContact CD1-CG 4.07Å; I64-Y71 HydrophobicContact CG1-CD1 4.34Å; I64-Y71 HydrophobicContact CG1-CG 4.49Å; K65-Y71 CarbonylContact O-C 3.59Å; K65-Y71 WeakPolarHBondContact O-CA 3.46Å; T66-Y71 HydrophobicContact CG2-CD1 4.26Å; T66-Y71 HydrophobicContact CG2-CE1 3.85Å; T66-Y71 WeakPolarHBondContact OG1-CE1 3.49Å; Y71-P118 HydrophobicContact CD1-CG 4.33Å; Y71-P118 HydrophobicContact CE1-CB 4.49Å; Y71-P118 HydrophobicContact CE1-CG 3.65Å; Y71-P118 HydrophobicContact CE2-CB 4.04Å; Y71-P118 HydrophobicContact CE2-CG 3.9Å; Y71-P118 VanDerWaalsContact CZ-CG 3.42Å; Y71-D120 PolarHBondContact OH-OD1 2.87Å; Y71-D120 PolarHBondContact OH-OD2 3.38Å; Y71-D120 VanDerWaalsContact OH-OD2 3.11Å; Y71-V121 HydrophobicContact CD2-CG2 3.35Å; Y71-V121 HydrophobicContact CE2-CG2 3.37Å; Y71-V121 HydrophobicContact CG-CG2 4.47Å; Y71-K139 CarbonylContact O-C 3.59Å; Y71-K139 VanDerWaalsContact O-CA 3.27Å; Y71-K139 WeakPolarHBondContact O-CA 3.33Å; Y71-A140 PolarHBondContact N-O 2.82Å; Y71-A140 PolarHBondContact O-N 2.8Å; Y71-R142 HydrophobicContact CD2-CG 3.83Å; Y71-R142 HydrophobicContact CE2-CG 3.39Å; Y71-R142 PolarHBondContact OH-NE 3.23Å
72Q94.9Very high90.8Very high45 Ų4560.1 Ų60.121%0.2133%0.33CS..EExtended strand (participates in β ladder)trans-129.9128.9176.3-176176.1-39.300110K65 M67 T74 T137 V138 K139K65-Q72 PolarHBondContact N-O 2.91Å; K65-Q72 PolarHBondContact O-N 3.42Å; M67-Q72 HydrophobicContact CG-CB 4.08Å; Q72-T74 PolarHBondContact NE2-OG1 3.11Å; Q72-T137 HydrophobicContact CG-CG2 3.64Å; Q72-V138 CarbonylContact C-O 3.42Å; Q72-V138 WeakPolarHBondContact CA-O 3.22Å; Q72-K139 HydrophobicContact CB-CG 4.42Å; Q72-K139 HydrophobicContact CG-CG 4.17Å
73F94.3Very high92.3Very high1 Ų166.6 Ų66.60%0.00436%0.356CS..EExtended strand (participates in β ladder)trans-118.4131.1172.8170.7-105.9000108.4V75 I94 V96 H113 C115 T137 V138F73-V75 HydrophobicContact CD1-CG1 4.21Å; F73-V75 HydrophobicContact CE1-CB 4.44Å; F73-V75 HydrophobicContact CE1-CG1 3.36Å; F73-V75 HydrophobicContact CE1-CG2 4.24Å; F73-V75 HydrophobicContact CE2-CG1 3.76Å; F73-V75 HydrophobicContact CZ-CB 4.5Å; F73-V75 HydrophobicContact CZ-CG1 3.12Å; F73-I94 HydrophobicContact CD1-CG2 4.21Å; F73-I94 HydrophobicContact CE1-CG2 4.25Å; F73-V96 HydrophobicContact CE1-CG2 3.71Å; F73-H113 AromaticContact CE2-CD2 3.66Å; F73-H113 AromaticContact CE2-NE2 3.92Å; F73-H113 HydrophobicContact CZ-CB 4.46Å; F73-H113 AromaticContact CZ-CD2 3.37Å; F73-H113 WeakPolarHBondContact CZ-CD2 3.41Å; F73-H113 AromaticContact CZ-NE2 4Å; F73-C115 HydrophobicContact CD2-CB 3.8Å; F73-C115 WeakPolarHBondContact CD2-SG 3.34Å; F73-C115 HydrophobicContact CE2-CB 3.66Å; F73-C115 HydrophobicContact CZ-CB 4.43Å; F73-T137 CarbonylContact O-C 3.58Å; F73-T137 WeakPolarHBondContact O-CA 3.21Å; F73-V138 HydrophobicContact CB-CB 4.4Å; F73-V138 HydrophobicContact CD1-CB 4.22Å; F73-V138 HydrophobicContact CD1-CG2 4.11Å; F73-V138 PolarHBondContact N-O 2.8Å; F73-V138 PolarHBondContact O-N 3.17Å
74T94.3Very high93.2Very high52 Ų5260 Ų6032%0.31933%0.33SS..EExtended strand (participates in β ladder)trans-131129.9-176.9-60.20000109.2Q72 T135 L136Q72-T74 PolarHBondContact NE2-OG1 3.11Å; T74-T135 HydrophobicContact CG2-CG2 3.35Å; T74-L136 CarbonylContact C-O 3.58Å; T74-L136 VanDerWaalsContact CA-O 3.3Å; T74-L136 WeakPolarHBondContact CA-O 3.31Å
75V94.4Very high93.5Very high8 Ų859 Ų595%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-135150.4177.8-62.10000110.4F73 V77 V96 F111 H113 L136F73-V75 HydrophobicContact CD1-CG1 4.21Å; F73-V75 HydrophobicContact CE1-CB 4.44Å; F73-V75 HydrophobicContact CE1-CG1 3.36Å; F73-V75 HydrophobicContact CE1-CG2 4.24Å; F73-V75 HydrophobicContact CE2-CG1 3.76Å; F73-V75 HydrophobicContact CZ-CB 4.5Å; F73-V75 HydrophobicContact CZ-CG1 3.12Å; V75-V77 HydrophobicContact CG2-CG1 4.12Å; V75-V96 HydrophobicContact CG2-CB 4.46Å; V75-V96 HydrophobicContact CG2-CG1 4.22Å; V75-V96 HydrophobicContact CG2-CG2 4.23Å; V75-F111 HydrophobicContact CB-CZ 4.24Å; V75-F111 HydrophobicContact CG2-CE1 4.47Å; V75-H113 HydrophobicContact CG1-CB 4.32Å; V75-L136 HydrophobicContact CG2-CB 3.87Å; V75-L136 HydrophobicContact CG2-CD2 3.95Å; V75-L136 HydrophobicContact CG2-CG 4.29Å; V75-L136 PolarHBondContact N-O 2.88Å; V75-L136 PolarHBondContact O-N 2.9Å
76D94.3Very high93.7Very high74 Ų7457.9 Ų57.940%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-91.6127.4173.2-179.6-117.8000109.7Q78D76-Q78 WeakPolarHBondContact OD1-CG 3.2Å
77V94.9Very high93.9Very high3 Ų356.2 Ų56.22%0.01831%0.314CS..  trans-133.224.6179.6-65.20000111.3V75 D79 F80 V85 V96 F111 L130 G134 L136V75-V77 HydrophobicContact CG2-CG1 4.12Å; V77-D79 PolarHBondContact O-N 3.14Å; V77-F80 HydrophobicContact CB-CD2 4.46Å; V77-F80 PolarHBondContact O-N 3.1Å; V77-V85 HydrophobicContact CB-CG2 4.2Å; V77-V85 HydrophobicContact CG2-CG2 4.16Å; V77-V96 HydrophobicContact CG1-CG1 4.33Å; V77-F111 HydrophobicContact CG1-CD1 4.1Å; V77-F111 HydrophobicContact CG1-CE1 3.79Å; V77-F111 HydrophobicContact CG1-CZ 4.35Å; V77-L130 HydrophobicContact CG2-CD1 3.56Å; V77-G134 WeakPolarHBondContact CG2-O 3.3Å; V77-G134 PolarHBondContact N-O 2.84Å; V77-L136 HydrophobicContact CG2-CB 3.99Å
78Q95.1Very high94.1Very high126 Ų12654.9 Ų54.959%0.58931%0.311SS*.THydrogen-bonded Turntrans-57-23.9-175.567.2174.544.200115.1D76 F80D76-Q78 WeakPolarHBondContact OD1-CG 3.2Å; Q78-F80 VanDerWaalsContact C-N 3.26Å; Q78-F80 PolarHBondContact O-N 2.91Å
79D93.9Very high94.2Very high93 Ų9354.9 Ų54.950%0.49730%0.299SS..THydrogen-bonded Turntrans-78.5-8.5-180-75.3-64.3000114V77 K100V77-D79 PolarHBondContact O-N 3.14Å; D79-K100 PolarHBondContact O-NZ 3.48Å; D79-K100 VanDerWaalsContact O-NZ 3.14Å
80F95.4Very high94.3Very high21 Ų2153.8 Ų53.89%0.09230%0.298CS..SBendtrans-117.6149.9-173.6-58-88.9000111.7V77 Q78 V85 A98 K100 N109 F111V77-F80 HydrophobicContact CB-CD2 4.46Å; V77-F80 PolarHBondContact O-N 3.1Å; Q78-F80 VanDerWaalsContact C-N 3.26Å; Q78-F80 PolarHBondContact O-N 2.91Å; F80-V85 HydrophobicContact CB-CG2 4.06Å; F80-A98 HydrophobicContact CB-CB 4.07Å; F80-A98 HydrophobicContact CD1-CB 3.6Å; F80-A98 HydrophobicContact CD2-CB 3.99Å; F80-A98 HydrophobicContact CE1-CB 3.99Å; F80-A98 HydrophobicContact CE2-CB 4.35Å; F80-A98 HydrophobicContact CG-CB 3.6Å; F80-A98 HydrophobicContact CZ-CB 4.35Å; F80-K100 HydrophobicContact CD1-CB 3.94Å; F80-K100 HydrophobicContact CE1-CB 3.98Å; F80-N109 HydrophobicContact CE1-CB 4.05Å; F80-N109 HydrophobicContact CZ-CB 4.18Å; F80-N109 VanDerWaalsContact CZ-ND2 3.33Å; F80-N109 WeakPolarHBondContact CZ-ND2 3.31Å; F80-F111 HydrophobicContact CD2-CB 4.36Å; F80-F111 HydrophobicContact CE1-CB 4.32Å; F80-F111 HydrophobicContact CE2-CB 3.42Å; F80-F111 VanDerWaalsContact CE2-CB 3.42Å; F80-F111 HydrophobicContact CE2-CG 4.16Å; F80-F111 HydrophobicContact CZ-CB 3.39Å
81S93.5Very high94.1Very high43 Ų4359.7 Ų59.730%0.30133%0.327SS..  trans-74147.8173.3-32.50000109.5E83 D84S81-E83 VanDerWaalsContact CB-CD 3.46Å; S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.17Å; S81-D84 WeakPolarHBondContact CB-OD2 3.49Å; S81-D84 PolarHBondContact N-OD2 2.71Å; S81-D84 WeakPolarHBondContact O-CB 3.4Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 2.74Å
82P93.9Very high93.9Very high84 Ų8462 Ų6255%0.54534%0.341SS..G310 helixtrans-53-36.8176.9-27.535.7000113.7D84 V85 L130P82-D84 VanDerWaalsContact C-N 3.26Å; P82-D84 PolarHBondContact O-N 2.82Å; P82-V85 PolarHBondContact O-N 3.4Å; P82-L130 HydrophobicContact CB-CD2 3.69Å; P82-L130 HydrophobicContact CG-CD2 3.76Å
83E93.4Very high93.7Very high152 Ų15262.5 Ų62.571%0.7134%0.343SS*.G310 helixtrans-66.4-23.5176.558-96.5-148.900114.4S81 V85S81-E83 VanDerWaalsContact CB-CD 3.46Å; S81-E83 PolarHBondContact O-N 3.16Å; S81-E83 VanDerWaalsContact O-N 3.17Å; E83-V85 VanDerWaalsContact C-N 3.34Å
84D93.4Very high93.7Very high47 Ų4762.6 Ų62.625%0.25134%0.344SS..G310 helixtrans-86.6-8.4-178.4-61.2-36000112.2S81 P82 A98 E99S81-D84 WeakPolarHBondContact CB-OD2 3.49Å; S81-D84 PolarHBondContact N-OD2 2.71Å; S81-D84 WeakPolarHBondContact O-CB 3.4Å; S81-D84 PolarHBondContact O-N 2.8Å; S81-D84 PolarHBondContact OG-OD2 2.74Å; P82-D84 VanDerWaalsContact C-N 3.26Å; P82-D84 PolarHBondContact O-N 2.82Å; D84-A98 VanDerWaalsContact O-CA 3.3Å; D84-A98 WeakPolarHBondContact O-CA 3.41Å; D84-E99 WeakPolarHBondContact CB-O 3.3Å
85V95.5Very high93.7Very high25 Ų2562.3 Ų62.315%0.15234%0.339CS..EExtended strand (participates in β ladder)trans-98.5121.6-174.6-177.30000110.9V77 F80 P82 E83 V96 A98 L136V77-V85 HydrophobicContact CB-CG2 4.2Å; V77-V85 HydrophobicContact CG2-CG2 4.16Å; F80-V85 HydrophobicContact CB-CG2 4.06Å; P82-V85 PolarHBondContact O-N 3.4Å; E83-V85 VanDerWaalsContact C-N 3.34Å; V85-V96 HydrophobicContact CG1-CG1 3.93Å; V85-A98 HydrophobicContact CB-CB 4.47Å; V85-A98 HydrophobicContact CG2-CB 3.92Å; V85-L136 HydrophobicContact CG1-CD2 4.06Å
86I96.6Very high93.8Very high94 Ų9462 Ų6248%0.48234%0.337SS..EExtended strand (participates in β ladder)trans-115.4126.5-179.5-57173.9000109.4V96 H97I86-V96 WeakPolarHBondContact O-CA 3.22Å; I86-H97 PolarHBondContact N-O 3.19Å; I86-H97 PolarHBondContact O-N 2.83Å
87V95.8Very high93.8Very high47 Ų4760.9 Ų60.929%0.28533%0.329SS..EExtended strand (participates in β ladder)trans-106.4117.3172.3-172.90000109.2I94 E95 V96 L136 V138V87-I94 HydrophobicContact CG1-CG2 4.08Å; V87-E95 WeakPolarHBondContact CA-O 3.29Å; V87-V96 HydrophobicContact CG1-CG2 4.47Å; V87-V96 HydrophobicContact CG2-CG2 4.28Å; V87-L136 HydrophobicContact CG2-CD2 3.74Å; V87-V138 HydrophobicContact CG1-CG2 4.02Å
88T95.3Very high93.9Very high63 Ų6360.7 Ų60.739%0.38733%0.328SS..EExtended strand (participates in β ladder)trans-109.8133.2175.9-58.50000109.4I94 E95T88-I94 CarbonylContact O-C 3.56Å; T88-I94 WeakPolarHBondContact O-CA 3.41Å; T88-E95 PolarHBondContact N-O 2.98Å; T88-E95 PolarHBondContact O-N 3.09Å
89T92.4Very high93.9Very high57 Ų5758 Ų5835%0.3532%0.315SS..EExtended strand (participates in β ladder)trans-119.7116.4170.1-54.60000109.2Q93 I94 L117 V126T89-Q93 VanDerWaalsContact CA-O 3.31Å; T89-Q93 WeakPolarHBondContact CA-O 3.36Å; T89-I94 HydrophobicContact CG2-CG1 4.35Å; T89-L117 HydrophobicContact CG2-CD1 3.96Å; T89-V126 HydrophobicContact CG2-CG2 4.33Å
90S91.4Very high94Very high57 Ų5757.4 Ų57.440%0.39931%0.308SS..EExtended strand (participates in β ladder)trans-151.4149.5177.865.20000110.5N92 Q93S90-N92 VanDerWaalsContact C-N 3.29Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 VanDerWaalsContact O-N 3.17Å; S90-Q93 PolarHBondContact N-O 3.21Å; S90-Q93 WeakPolarHBondContact O-CA 3.49Å; S90-Q93 WeakPolarHBondContact O-CB 3.35Å; S90-Q93 PolarHBondContact O-N 3.05Å; S90-Q93 VanDerWaalsContact O-O 3.12Å
91N89.3Confident93.9Very high147 Ų14760.4 Ų60.479%0.78633%0.325SS*.THydrogen-bonded Turntrans49.344.9176.1-57.6-37.1000114.5Q93 Q116N91-Q93 PolarHBondContact O-N 3.41Å; N91-Q116 PolarHBondContact O-NE2 2.99Å
92N89.3Confident94Very high62 Ų6259.8 Ų59.833%0.33232%0.322SS..THydrogen-bonded Turntrans54.332.4-174.5-65.878.6000112.9S90 Q116 L117 P118S90-N92 VanDerWaalsContact C-N 3.29Å; S90-N92 PolarHBondContact O-N 3.48Å; S90-N92 VanDerWaalsContact O-N 3.17Å; N92-Q116 VanDerWaalsContact O-CD 3.27Å; N92-Q116 PolarHBondContact O-NE2 3.33Å; N92-L117 HydrophobicContact CB-CB 4.37Å; N92-L117 WeakPolarHBondContact O-CA 3.41Å; N92-L117 WeakPolarHBondContact O-CB 3.43Å; N92-L117 PolarHBondContact O-N 2.84Å; N92-P118 PolarHBondContact ND2-O 3.41Å
93Q91.8Very high94Very high57 Ų5761.4 Ų61.427%0.26634%0.343SS..EExtended strand (participates in β ladder)trans-129.4138177.1-179172101.400109.1T89 S90 N91 K114 C115T89-Q93 VanDerWaalsContact CA-O 3.31Å; T89-Q93 WeakPolarHBondContact CA-O 3.36Å; S90-Q93 PolarHBondContact N-O 3.21Å; S90-Q93 WeakPolarHBondContact O-CA 3.49Å; S90-Q93 WeakPolarHBondContact O-CB 3.35Å; S90-Q93 PolarHBondContact O-N 3.05Å; S90-Q93 VanDerWaalsContact O-O 3.12Å; N91-Q93 PolarHBondContact O-N 3.41Å; Q93-K114 HydrophobicContact CG-CB 4.49Å; Q93-C115 WeakPolarHBondContact CA-O 3.34Å; Q93-C115 WeakPolarHBondContact CG-O 3.41Å
94I93.3Very high94Very high3 Ų360.1 Ų60.12%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-98133.6165.3-64.3164.4000107.2F73 V87 T88 T89 V96 K114 C115 L117 V138F73-I94 HydrophobicContact CD1-CG2 4.21Å; F73-I94 HydrophobicContact CE1-CG2 4.25Å; V87-I94 HydrophobicContact CG1-CG2 4.08Å; T88-I94 CarbonylContact O-C 3.56Å; T88-I94 WeakPolarHBondContact O-CA 3.41Å; T89-I94 HydrophobicContact CG2-CG1 4.35Å; I94-V96 HydrophobicContact CG2-CG2 4.35Å; I94-K114 CarbonylContact O-C 3.59Å; I94-K114 VanDerWaalsContact O-CA 3.27Å; I94-K114 WeakPolarHBondContact O-CA 3.42Å; I94-C115 PolarHBondContact N-O 3.26Å; I94-C115 PolarHBondContact O-N 2.69Å; I94-L117 HydrophobicContact CD1-CD1 4.04Å; I94-L117 HydrophobicContact CD1-CD2 3.5Å; I94-L117 VanDerWaalsContact CD1-CD2 3.5Å; I94-L117 HydrophobicContact CD1-CG 3.96Å; I94-L117 HydrophobicContact CG1-CD1 3.79Å; I94-L117 HydrophobicContact CG1-CD2 4.07Å; I94-L117 HydrophobicContact CG1-CG 3.94Å; I94-V138 HydrophobicContact CD1-CB 4.3Å; I94-V138 HydrophobicContact CD1-CG1 3.68Å; I94-V138 HydrophobicContact CG1-CG1 4.47Å; I94-V138 HydrophobicContact CG2-CG1 4.48Å; I94-V138 HydrophobicContact CG2-CG2 4.47Å
95E94.8Very high94Very high46 Ų4660.1 Ų60.122%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-124.6124.7170.8173.5165.6-175.500108.9V87 T88 T112 H113 K114V87-E95 WeakPolarHBondContact CA-O 3.29Å; T88-E95 PolarHBondContact N-O 2.98Å; T88-E95 PolarHBondContact O-N 3.09Å; E95-T112 HydrophobicContact CG-CG2 4.35Å; E95-H113 CarbonylContact C-O 3.55Å; E95-H113 WeakPolarHBondContact CA-O 3.45Å; E95-K114 HydrophobicContact CB-CD 4.4Å; E95-K114 HydrophobicContact CB-CG 4.16Å; E95-K114 HydrophobicContact CG-CD 4.23Å; E95-K114 HydrophobicContact CG-CG 4.03Å; E95-K114 WeakPolarHBondContact OE1-CE 3.38Å; E95-K114 IonicContact OE1-NZ 3.53Å; E95-K114 PolarHBondContact OE1-NZ 3.26Å; E95-K114 WeakPolarHBondContact OE2-CE 3.45Å; E95-K114 IonicContact OE2-NZ 2.77Å; E95-K114 PolarHBondContact OE2-NZ 2.93Å
96V95.6Very high94Very high0 Ų062.4 Ų62.40%037%0.366CS..EExtended strand (participates in β ladder)trans-104.8120.4169.5-179.80000107.1F73 V75 V77 V85 I86 V87 I94 F111 T112 H113 L136F73-V96 HydrophobicContact CE1-CG2 3.71Å; V75-V96 HydrophobicContact CG2-CB 4.46Å; V75-V96 HydrophobicContact CG2-CG1 4.22Å; V75-V96 HydrophobicContact CG2-CG2 4.23Å; V77-V96 HydrophobicContact CG1-CG1 4.33Å; V85-V96 HydrophobicContact CG1-CG1 3.93Å; I86-V96 WeakPolarHBondContact O-CA 3.22Å; V87-V96 HydrophobicContact CG1-CG2 4.47Å; V87-V96 HydrophobicContact CG2-CG2 4.28Å; I94-V96 HydrophobicContact CG2-CG2 4.35Å; V96-F111 HydrophobicContact CB-CE1 4.38Å; V96-F111 HydrophobicContact CG1-CD1 4.39Å; V96-F111 HydrophobicContact CG1-CE1 3.99Å; V96-T112 CarbonylContact O-C 3.52Å; V96-T112 WeakPolarHBondContact O-CA 3.39Å; V96-H113 HydrophobicContact CB-CB 4.46Å; V96-H113 PolarHBondContact N-O 2.85Å; V96-H113 PolarHBondContact O-N 2.83Å; V96-L136 HydrophobicContact CB-CD2 4.41Å; V96-L136 HydrophobicContact CG1-CD2 3.68Å; V96-L136 HydrophobicContact CG2-CD2 3.78Å
97H95.9Very high93.9Very high51 Ų5160.2 Ų60.224%0.23636%0.357CS..EExtended strand (participates in β ladder)trans-118.1135.8176.2-177-93.1000109I86 F111I86-H97 PolarHBondContact N-O 3.19Å; I86-H97 PolarHBondContact O-N 2.83Å; H97-F111 CarbonylContact C-O 3.49Å; H97-F111 VanDerWaalsContact CA-O 3.31Å; H97-F111 WeakPolarHBondContact CA-O 3.27Å
98A95.8Very high93.9Very high0 Ų062.9 Ų62.90%037%0.368CS..EExtended strand (participates in β ladder)trans-140.5139.8171.300000110.6F80 D84 V85 T110 F111F80-A98 HydrophobicContact CB-CB 4.07Å; F80-A98 HydrophobicContact CD1-CB 3.6Å; F80-A98 HydrophobicContact CD2-CB 3.99Å; F80-A98 HydrophobicContact CE1-CB 3.99Å; F80-A98 HydrophobicContact CE2-CB 4.35Å; F80-A98 HydrophobicContact CG-CB 3.6Å; F80-A98 HydrophobicContact CZ-CB 4.35Å; D84-A98 VanDerWaalsContact O-CA 3.3Å; D84-A98 WeakPolarHBondContact O-CA 3.41Å; V85-A98 HydrophobicContact CB-CB 4.47Å; V85-A98 HydrophobicContact CG2-CB 3.92Å; A98-T110 CarbonylContact O-C 3.54Å; A98-T110 WeakPolarHBondContact O-CA 3.41Å; A98-F111 HydrophobicContact CB-CB 4.28Å; A98-F111 PolarHBondContact N-O 2.79Å; A98-F111 PolarHBondContact O-N 2.97Å
99E95.9Very high93.9Very high68 Ų6862.6 Ų62.632%0.31836%0.364SS..EExtended strand (participates in β ladder)trans-133.4123-179.5-170.4174113.800109.7D84 L101 V107 N109D84-E99 WeakPolarHBondContact CB-O 3.3Å; E99-L101 HydrophobicContact CG-CD2 4.09Å; E99-L101 VanDerWaalsContact OE1-CD2 3.29Å; E99-L101 WeakPolarHBondContact OE1-CD2 3.18Å; E99-V107 HydrophobicContact CG-CG1 3.74Å; E99-V107 HydrophobicContact CG-CG2 4.19Å; E99-V107 WeakPolarHBondContact OE1-CG2 3.44Å; E99-N109 CarbonylContact C-O 3.55Å; E99-N109 WeakPolarHBondContact CA-O 3.26Å
100K95.2Very high94Very high81 Ų8162.9 Ų62.935%0.35237%0.366SS..EExtended strand (participates in β ladder)trans-97.9121.6176.9-172.5174.4-169.3158.70108.9D79 F80 M108 N109D79-K100 PolarHBondContact O-NZ 3.48Å; D79-K100 VanDerWaalsContact O-NZ 3.14Å; F80-K100 HydrophobicContact CD1-CB 3.94Å; F80-K100 HydrophobicContact CE1-CB 3.98Å; K100-M108 WeakPolarHBondContact O-CB 3.1Å; K100-M108 PolarHBondContact O-N 2.95Å; K100-N109 HydrophobicContact CB-CB 3.92Å; K100-N109 PolarHBondContact N-O 3.43Å; K100-N109 PolarHBondContact O-N 3.09Å
101L94.4Very high94.2Very high84 Ų8462.2 Ų62.244%0.4436%0.356SS..EExtended strand (participates in β ladder)trans-102146.3178.4-60.8-178.7000111.6E99 T106 V107E99-L101 HydrophobicContact CG-CD2 4.09Å; E99-L101 VanDerWaalsContact OE1-CD2 3.29Å; E99-L101 WeakPolarHBondContact OE1-CD2 3.18Å; L101-T106 CarbonylContact C-O 3.57Å; L101-T106 WeakPolarHBondContact CA-O 3.21Å; L101-V107 HydrophobicContact CD2-CB 4.31Å; L101-V107 HydrophobicContact CD2-CG2 3.76Å
102A94Very high94.4Very high30 Ų3057.5 Ų57.525%0.24833%0.332CS..PPolyproline II helixtrans-75.5169.4163.700000110.4D104 G105 T106 M108A102-D104 VanDerWaalsContact CB-OD1 3.24Å; A102-D104 WeakPolarHBondContact CB-OD1 3.37Å; A102-D104 PolarHBondContact O-N 3.38Å; A102-D104 VanDerWaalsContact O-N 3.16Å; A102-G105 PolarHBondContact O-N 2.82Å; A102-T106 PolarHBondContact N-O 3.26Å; A102-M108 HydrophobicContact CB-CG 3.75Å; A102-M108 HydrophobicContact CB-SD 3.7Å
103A94Very high94.6Very high119 Ų11955.5 Ų55.598%0.98332%0.321SS*.THydrogen-bonded Turntrans-61.9-23.6-179.700000113.9G105A103-G105 VanDerWaalsContact C-N 3.33Å
104D95.3Very high94.7Very high124 Ų12457.1 Ų57.166%0.66333%0.327SS*.THydrogen-bonded Turntrans-88.82.117665.6-6.6000113.3A102 T106A102-D104 VanDerWaalsContact CB-OD1 3.24Å; A102-D104 WeakPolarHBondContact CB-OD1 3.37Å; A102-D104 PolarHBondContact O-N 3.38Å; A102-D104 VanDerWaalsContact O-N 3.16Å; D104-T106 VanDerWaalsContact CG-OG1 3.25Å; D104-T106 VanDerWaalsContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CB 3.36Å; D104-T106 PolarHBondContact OD1-N 2.92Å; D104-T106 PolarHBondContact OD1-OG1 2.77Å; D104-T106 PolarHBondContact OD2-OG1 3Å; D104-T106 VanDerWaalsContact OD2-OG1 3.1Å
105G92.4Very high94.6Very high47 Ų4757.3 Ų57.349%0.48533%0.329SS..SBendtrans84.55.3-176.900000114.7A102 A103A102-G105 PolarHBondContact O-N 2.82Å; A103-G105 VanDerWaalsContact C-N 3.33Å
106T95.4Very high94.4Very high73 Ų7360.3 Ų60.345%0.44834%0.343SS..  trans-70.7132.2175.9-58.50000110.9L101 A102 D104 M108L101-T106 CarbonylContact C-O 3.57Å; L101-T106 WeakPolarHBondContact CA-O 3.21Å; A102-T106 PolarHBondContact N-O 3.26Å; D104-T106 VanDerWaalsContact CG-OG1 3.25Å; D104-T106 VanDerWaalsContact OD1-CB 3.23Å; D104-T106 WeakPolarHBondContact OD1-CB 3.36Å; D104-T106 PolarHBondContact OD1-N 2.92Å; D104-T106 PolarHBondContact OD1-OG1 2.77Å; D104-T106 PolarHBondContact OD2-OG1 3Å; D104-T106 VanDerWaalsContact OD2-OG1 3.1Å; T106-M108 PolarHBondContact O-N 3.06Å
107V95Very high94.2Very high49 Ų4960.7 Ų60.730%0.29735%0.345SS..EExtended strand (participates in β ladder)trans-66.2117.4174.3-176.20000110.2F54 E99 L101 T110F54-V107 WeakPolarHBondContact CE1-O 3.35Å; F54-V107 WeakPolarHBondContact CZ-O 3.44Å; E99-V107 HydrophobicContact CG-CG1 3.74Å; E99-V107 HydrophobicContact CG-CG2 4.19Å; E99-V107 WeakPolarHBondContact OE1-CG2 3.44Å; L101-V107 HydrophobicContact CD2-CB 4.31Å; L101-V107 HydrophobicContact CD2-CG2 3.76Å; V107-T110 WeakPolarHBondContact CG1-OG1 2.82Å
108M95.3Very high93.9Very high102 Ų10260.2 Ų60.250%0.50235%0.346SS..EExtended strand (participates in β ladder)trans-95.4-35.9178-64.2-174.270.800112.6F54 K100 A102 T106F54-M108 WeakPolarHBondContact CD1-O 3.18Å; F54-M108 WeakPolarHBondContact CE1-O 3.49Å; K100-M108 WeakPolarHBondContact O-CB 3.1Å; K100-M108 PolarHBondContact O-N 2.95Å; A102-M108 HydrophobicContact CB-CG 3.75Å; A102-M108 HydrophobicContact CB-SD 3.7Å; T106-M108 PolarHBondContact O-N 3.06Å
109N94.9Very high93.6Very high57 Ų5768.1 Ų68.131%0.30538%0.383SS..EExtended strand (participates in β ladder)trans-151.9147.2-178.6-165.410.7000110.3F80 E99 K100F80-N109 HydrophobicContact CE1-CB 4.05Å; F80-N109 HydrophobicContact CZ-CB 4.18Å; F80-N109 VanDerWaalsContact CZ-ND2 3.33Å; F80-N109 WeakPolarHBondContact CZ-ND2 3.31Å; E99-N109 CarbonylContact C-O 3.55Å; E99-N109 WeakPolarHBondContact CA-O 3.26Å; K100-N109 HydrophobicContact CB-CB 3.92Å; K100-N109 PolarHBondContact N-O 3.43Å; K100-N109 PolarHBondContact O-N 3.09Å
110T95Very high93.3Very high64 Ų6466.1 Ų66.139%0.39337%0.374SS..EExtended strand (participates in β ladder)trans-136.1138.2175.5-51.40000109A98 V107A98-T110 CarbonylContact O-C 3.54Å; A98-T110 WeakPolarHBondContact O-CA 3.41Å; V107-T110 WeakPolarHBondContact CG1-OG1 2.82Å
111F95.1Very high93.1Very high43 Ų4362.4 Ų62.419%0.18936%0.358CS..EExtended strand (participates in β ladder)trans-128.4129.7175.3172.1-92.9000109.5V75 V77 F80 V96 H97 A98 H113V75-F111 HydrophobicContact CB-CZ 4.24Å; V75-F111 HydrophobicContact CG2-CE1 4.47Å; V77-F111 HydrophobicContact CG1-CD1 4.1Å; V77-F111 HydrophobicContact CG1-CE1 3.79Å; V77-F111 HydrophobicContact CG1-CZ 4.35Å; F80-F111 HydrophobicContact CD2-CB 4.36Å; F80-F111 HydrophobicContact CE1-CB 4.32Å; F80-F111 HydrophobicContact CE2-CB 3.42Å; F80-F111 VanDerWaalsContact CE2-CB 3.42Å; F80-F111 HydrophobicContact CE2-CG 4.16Å; F80-F111 HydrophobicContact CZ-CB 3.39Å; V96-F111 HydrophobicContact CB-CE1 4.38Å; V96-F111 HydrophobicContact CG1-CD1 4.39Å; V96-F111 HydrophobicContact CG1-CE1 3.99Å; H97-F111 CarbonylContact C-O 3.49Å; H97-F111 VanDerWaalsContact CA-O 3.31Å; H97-F111 WeakPolarHBondContact CA-O 3.27Å; A98-F111 HydrophobicContact CB-CB 4.28Å; A98-F111 PolarHBondContact N-O 2.79Å; A98-F111 PolarHBondContact O-N 2.97Å; F111-H113 HydrophobicContact CE1-CB 3.61Å; F111-H113 HydrophobicContact CE2-CB 4.41Å; F111-H113 HydrophobicContact CZ-CB 3.55Å; F111-H113 AromaticContact CZ-CG 3.94Å; F111-H113 AromaticContact CZ-ND1 3.6Å
112T94.9Very high92.9Very high48 Ų4860.5 Ų60.529%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-133.6129.8173.2-51.30000109.4E95 V96 K114E95-T112 HydrophobicContact CG-CG2 4.35Å; V96-T112 CarbonylContact O-C 3.52Å; V96-T112 WeakPolarHBondContact O-CA 3.39Å; T112-K114 HydrophobicContact CG2-CG 4.29Å
113H93.1Very high92.5Very high20 Ų2063 Ų639%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-140.3125.1-179.4-151.8115.5000110.5T60 G62 F73 V75 E95 V96 F111T60-H113 PolarHBondContact O-CE1 3.18Å; T60-H113 PolarHBondContact O-NE2 3.06Å; G62-H113 WeakPolarHBondContact CA-NE2 3.31Å; G62-H113 PolarHBondContact N-NE2 2.81Å; F73-H113 AromaticContact CE2-CD2 3.66Å; F73-H113 AromaticContact CE2-NE2 3.92Å; F73-H113 HydrophobicContact CZ-CB 4.46Å; F73-H113 AromaticContact CZ-CD2 3.37Å; F73-H113 WeakPolarHBondContact CZ-CD2 3.41Å; F73-H113 AromaticContact CZ-NE2 4Å; V75-H113 HydrophobicContact CG1-CB 4.32Å; E95-H113 CarbonylContact C-O 3.55Å; E95-H113 WeakPolarHBondContact CA-O 3.45Å; V96-H113 HydrophobicContact CB-CB 4.46Å; V96-H113 PolarHBondContact N-O 2.85Å; V96-H113 PolarHBondContact O-N 2.83Å; F111-H113 HydrophobicContact CE1-CB 3.61Å; F111-H113 HydrophobicContact CE2-CB 4.41Å; F111-H113 HydrophobicContact CZ-CB 3.55Å; F111-H113 AromaticContact CZ-CG 3.94Å; F111-H113 AromaticContact CZ-ND1 3.6Å
114K92.9Very high92.2Very high90 Ų9063.2 Ų63.239%0.39135%0.352SS..EExtended strand (participates in β ladder)trans-122.7143.8-176-49.9-165.4-169-152.70110.9Q93 I94 E95 T112Q93-K114 HydrophobicContact CG-CB 4.49Å; I94-K114 CarbonylContact O-C 3.59Å; I94-K114 VanDerWaalsContact O-CA 3.27Å; I94-K114 WeakPolarHBondContact O-CA 3.42Å; E95-K114 HydrophobicContact CB-CD 4.4Å; E95-K114 HydrophobicContact CB-CG 4.16Å; E95-K114 HydrophobicContact CG-CD 4.23Å; E95-K114 HydrophobicContact CG-CG 4.03Å; E95-K114 WeakPolarHBondContact OE1-CE 3.38Å; E95-K114 IonicContact OE1-NZ 3.53Å; E95-K114 PolarHBondContact OE1-NZ 3.26Å; E95-K114 WeakPolarHBondContact OE2-CE 3.45Å; E95-K114 IonicContact OE2-NZ 2.77Å; E95-K114 PolarHBondContact OE2-NZ 2.93Å; T112-K114 HydrophobicContact CG2-CG 4.29Å
115C91.3Very high92.1Very high7 Ų758.4 Ų58.45%0.04733%0.328CS..EExtended strand (participates in β ladder)trans-139.9140.216870.30000111.3F73 Q93 I94F73-C115 HydrophobicContact CD2-CB 3.8Å; F73-C115 WeakPolarHBondContact CD2-SG 3.34Å; F73-C115 HydrophobicContact CE2-CB 3.66Å; F73-C115 HydrophobicContact CZ-CB 4.43Å; Q93-C115 WeakPolarHBondContact CA-O 3.34Å; Q93-C115 WeakPolarHBondContact CG-O 3.41Å; I94-C115 PolarHBondContact N-O 3.26Å; I94-C115 PolarHBondContact O-N 2.69Å
116Q92Very high92.1Very high109 Ų10958.1 Ų58.151%0.50932%0.317SS..EExtended strand (participates in β ladder)trans-78.4126.6172.6-162.36530.700109.6N91 N92N91-Q116 PolarHBondContact O-NE2 2.99Å; N92-Q116 VanDerWaalsContact O-CD 3.27Å; N92-Q116 PolarHBondContact O-NE2 3.33Å
117L90.4Very high92.1Very high8 Ų858.7 Ų58.74%0.04232%0.32CS..PPolyproline II helixtrans-80.8145166.5-65.6172.2000109.7I64 T89 N92 I94 V121I64-L117 HydrophobicContact CD1-CD2 3.45Å; I64-L117 VanDerWaalsContact CD1-CD2 3.45Å; T89-L117 HydrophobicContact CG2-CD1 3.96Å; N92-L117 HydrophobicContact CB-CB 4.37Å; N92-L117 WeakPolarHBondContact O-CA 3.41Å; N92-L117 WeakPolarHBondContact O-CB 3.43Å; N92-L117 PolarHBondContact O-N 2.84Å; I94-L117 HydrophobicContact CD1-CD1 4.04Å; I94-L117 HydrophobicContact CD1-CD2 3.5Å; I94-L117 VanDerWaalsContact CD1-CD2 3.5Å; I94-L117 HydrophobicContact CD1-CG 3.96Å; I94-L117 HydrophobicContact CG1-CD1 3.79Å; I94-L117 HydrophobicContact CG1-CD2 4.07Å; I94-L117 HydrophobicContact CG1-CG 3.94Å; L117-V121 HydrophobicContact CB-CB 4.48Å; L117-V121 HydrophobicContact CB-CG2 4.02Å; L117-V121 HydrophobicContact CD1-CG1 4.18Å; L117-V121 HydrophobicContact CD2-CG2 4.37Å
118P90.6Very high92.1Very high41 Ų4160 Ų6027%0.26633%0.332SS..PPolyproline II helixtrans-61.4165.5167.6-30.743.3000113.6Y71 N92 D120 V121Y71-P118 HydrophobicContact CD1-CG 4.33Å; Y71-P118 HydrophobicContact CE1-CB 4.49Å; Y71-P118 HydrophobicContact CE1-CG 3.65Å; Y71-P118 HydrophobicContact CE2-CB 4.04Å; Y71-P118 HydrophobicContact CE2-CG 3.9Å; Y71-P118 VanDerWaalsContact CZ-CG 3.42Å; N92-P118 PolarHBondContact ND2-O 3.41Å; P118-D120 VanDerWaalsContact C-N 3.34Å; P118-D120 WeakPolarHBondContact CB-OD1 3.35Å; P118-V121 HydrophobicContact CB-CG2 4.45Å; P118-V121 WeakPolarHBondContact O-CG2 3.42Å
119E88.1Confident92.1Very high166 Ų16658.4 Ų58.478%0.77633%0.33SS*.THydrogen-bonded Turntrans-73-28.5-180-64.3-170.6162.300112.7V121 K146E119-V121 PolarHBondContact O-N 3.41Å; E119-V121 VanDerWaalsContact O-N 3.09Å; E119-K146 WeakPolarHBondContact O-CD 3.23Å
120D90.1Very high92.1Very high26 Ų2658.9 Ų58.914%0.13933%0.332CS..THydrogen-bonded Turntrans-78.925176.167.4-50.1000112.9Y71 P118 R142 N143Y71-D120 PolarHBondContact OH-OD1 2.87Å; Y71-D120 PolarHBondContact OH-OD2 3.38Å; Y71-D120 VanDerWaalsContact OH-OD2 3.11Å; P118-D120 VanDerWaalsContact C-N 3.34Å; P118-D120 WeakPolarHBondContact CB-OD1 3.35Å; D120-R142 CarbonylContact O-C 3.56Å; D120-R142 WeakPolarHBondContact O-CA 3.47Å; D120-R142 IonicContact OD2-CZ 3.35Å; D120-R142 IonicContact OD2-NE 2.87Å; D120-R142 PolarHBondContact OD2-NE 2.87Å; D120-R142 IonicContact OD2-NH2 2.91Å; D120-R142 PolarHBondContact OD2-NH2 3.16Å; D120-N143 VanDerWaalsContact CA-OD1 3.26Å; D120-N143 WeakPolarHBondContact CA-OD1 3.37Å; D120-N143 PolarHBondContact O-N 2.95Å; D120-N143 PolarHBondContact O-OD1 2.75Å
121V91.4Very high92Very high3 Ų357.6 Ų57.62%0.01833%0.332CS..BIsolated β-bridgetrans-89.7137.5171.6177.50000111.2Y71 L117 P118 E119 P123 A140 N143 K146Y71-V121 HydrophobicContact CD2-CG2 3.35Å; Y71-V121 HydrophobicContact CE2-CG2 3.37Å; Y71-V121 HydrophobicContact CG-CG2 4.47Å; L117-V121 HydrophobicContact CB-CB 4.48Å; L117-V121 HydrophobicContact CB-CG2 4.02Å; L117-V121 HydrophobicContact CD1-CG1 4.18Å; L117-V121 HydrophobicContact CD2-CG2 4.37Å; P118-V121 HydrophobicContact CB-CG2 4.45Å; P118-V121 WeakPolarHBondContact O-CG2 3.42Å; E119-V121 PolarHBondContact O-N 3.41Å; E119-V121 VanDerWaalsContact O-N 3.09Å; V121-P123 WeakPolarHBondContact O-CD 3.34Å; V121-A140 HydrophobicContact CG1-CB 3.71Å; V121-N143 PolarHBondContact N-OD1 2.77Å; V121-N143 PolarHBondContact O-ND2 2.77Å; V121-N143 PolarHBondContact O-OD1 2.92Å; V121-K146 PolarHBondContact O-NZ 2.95Å
122D89.5Confident91.9Very high45 Ų4562.3 Ų62.324%0.24137%0.365CS..  trans-84.1109165.7-179.24.1000110.5T124 S125 R141 N143D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 PolarHBondContact O-N 2.78Å; D122-T124 PolarHBondContact OD1-N 2.97Å; D122-T124 PolarHBondContact OD1-OG1 2.84Å; D122-T124 PolarHBondContact OD2-OG1 3.46Å; D122-S125 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 2.8Å; D122-R141 PolarHBondContact N-O 3.17Å; D122-N143 WeakPolarHBondContact CA-ND2 3.41Å; D122-N143 HydrophobicContact CB-CB 4.13Å; D122-N143 PolarHBondContact N-ND2 2.76Å
123P85.7Confident91.7Very high82 Ų8267.1 Ų67.153%0.53238%0.384SS..G310 helixtrans-65.5-21.5-178.529.1-36000113.1V121 S125 V126V121-P123 WeakPolarHBondContact O-CD 3.34Å; P123-S125 VanDerWaalsContact C-N 3.28Å; P123-V126 WeakPolarHBondContact O-CG2 3.41Å
124T88.2Confident91.6Very high124 Ų12466.6 Ų66.676%0.76138%0.384SS*.G310 helixtrans-80-14.9-179.868.50000113D122D122-T124 VanDerWaalsContact CG-OG1 3.27Å; D122-T124 PolarHBondContact O-N 2.78Å; D122-T124 PolarHBondContact OD1-N 2.97Å; D122-T124 PolarHBondContact OD1-OG1 2.84Å; D122-T124 PolarHBondContact OD2-OG1 3.46Å
125S91.9Very high91.7Very high23 Ų2365 Ų6516%0.16138%0.382CS..G310 helixtrans-94.72.5-175.8740000114.3D122 P123 T127 R141D122-S125 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 2.8Å; P123-S125 VanDerWaalsContact C-N 3.28Å; S125-T127 PolarHBondContact O-N 2.91Å; S125-R141 WeakPolarHBondContact OG-CA 3.27Å; S125-R141 VanDerWaalsContact OG-CB 3.31Å; S125-R141 WeakPolarHBondContact OG-CB 3.44Å; S125-R141 PolarHBondContact OG-N 2.82Å
126V93.6Very high91.9Very high40 Ų4065 Ų6524%0.24238%0.381CS..  trans-69.3126.3-176.7-178.20000109.5T89 P123 V138 K139 A140T89-V126 HydrophobicContact CG2-CG2 4.33Å; P123-V126 WeakPolarHBondContact O-CG2 3.41Å; V126-V138 HydrophobicContact CG1-CG1 3.95Å; V126-K139 CarbonylContact C-O 3.59Å; V126-K139 WeakPolarHBondContact CA-O 3.48Å; V126-A140 HydrophobicContact CG2-CB 3.95Å
127T94.9Very high92.1Very high86 Ų8660.7 Ų60.753%0.52836%0.363SS..EExtended strand (participates in β ladder)trans-135.1150.417952.80000109.6S125 V138 K139S125-T127 PolarHBondContact O-N 2.91Å; T127-V138 CarbonylContact O-C 3.43Å; T127-V138 WeakPolarHBondContact O-CA 3.44Å; T127-K139 PolarHBondContact N-O 3.17Å; T127-K139 PolarHBondContact O-N 2.79Å; T127-K139 PolarHBondContact OG1-O 3.17Å
128S94.9Very high92.3Very high77 Ų7760.4 Ų60.454%0.53836%0.361SS..EExtended strand (participates in β ladder)trans-130.7150.7177.159.10000111.2T137S128-T137 CarbonylContact C-O 3.6Å; S128-T137 VanDerWaalsContact CA-O 3.29Å; S128-T137 WeakPolarHBondContact CA-O 3.35Å
129S95.4Very high92.5Very high67 Ų6762.9 Ų62.947%0.46937%0.368SS..EExtended strand (participates in β ladder)trans-147.2129.2175.761.40000109.7T137S129-T137 PolarHBondContact N-O 2.93Å; S129-T137 PolarHBondContact O-N 2.82Å
130L94.8Very high92.8Very high67 Ų6755.1 Ų55.135%0.35133%0.332SS..EExtended strand (participates in β ladder)trans-102.5123.6174.9-178.461.9000109.7V77 P82 L136V77-L130 HydrophobicContact CG2-CD1 3.56Å; P82-L130 HydrophobicContact CB-CD2 3.69Å; P82-L130 HydrophobicContact CG-CD2 3.76Å; L130-L136 HydrophobicContact CB-CD1 4.28Å; L130-L136 HydrophobicContact CD1-CB 3.95Å
131G93.8Very high93Very high38 Ų3860 Ų6039%0.39235%0.348SS..  trans-78.7162.1173.500000112.4E133 G134 T135G131-E133 PolarHBondContact O-N 3.44Å; G131-G134 PolarHBondContact O-N 3.05Å; G131-G134 VanDerWaalsContact O-N 3.09Å; G131-T135 PolarHBondContact N-O 3.29Å
132T91.9Very high93Very high142 Ų14264.3 Ų64.387%0.87136%0.364SS*.THydrogen-bonded Turntrans-60.6-29.4177.551.40000113.3G134T132-G134 PolarHBondContact O-N 3.14Å
133E90.9Very high92.8Very high148 Ų14863.1 Ų63.169%0.69236%0.358SS*.THydrogen-bonded Turntrans-82.215.6177.6-52.6-57.2107.800112.9G131 T135G131-E133 PolarHBondContact O-N 3.44Å; E133-T135 PolarHBondContact O-N 3.06Å
134G91.3Very high92Very high10 Ų1064.2 Ų64.210%0.10337%0.365CS..SBendtrans74.99.1179.300000115.1V77 G131 T132 L136V77-G134 WeakPolarHBondContact CG2-O 3.3Å; V77-G134 PolarHBondContact N-O 2.84Å; G131-G134 PolarHBondContact O-N 3.05Å; G131-G134 VanDerWaalsContact O-N 3.09Å; T132-G134 PolarHBondContact O-N 3.14Å; G134-L136 PolarHBondContact O-N 2.85Å
135T94.8Very high90.9Very high56 Ų5662.6 Ų62.634%0.34436%0.359SS..EExtended strand (participates in β ladder)trans-83.7107.9176.1-58.70000110.8T74 G131 E133T74-T135 HydrophobicContact CG2-CG2 3.35Å; G131-T135 PolarHBondContact N-O 3.29Å; E133-T135 PolarHBondContact O-N 3.06Å
136L95.6Very high89.1Confident7 Ų766.5 Ų66.54%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-84.3129.1172.3177.967.2000110T74 V75 V77 V85 V87 V96 L130 G134 V138T74-L136 CarbonylContact C-O 3.58Å; T74-L136 VanDerWaalsContact CA-O 3.3Å; T74-L136 WeakPolarHBondContact CA-O 3.31Å; V75-L136 HydrophobicContact CG2-CB 3.87Å; V75-L136 HydrophobicContact CG2-CD2 3.95Å; V75-L136 HydrophobicContact CG2-CG 4.29Å; V75-L136 PolarHBondContact N-O 2.88Å; V75-L136 PolarHBondContact O-N 2.9Å; V77-L136 HydrophobicContact CG2-CB 3.99Å; V85-L136 HydrophobicContact CG1-CD2 4.06Å; V87-L136 HydrophobicContact CG2-CD2 3.74Å; V96-L136 HydrophobicContact CB-CD2 4.41Å; V96-L136 HydrophobicContact CG1-CD2 3.68Å; V96-L136 HydrophobicContact CG2-CD2 3.78Å; L130-L136 HydrophobicContact CB-CD1 4.28Å; L130-L136 HydrophobicContact CD1-CB 3.95Å; G134-L136 PolarHBondContact O-N 2.85Å; L136-V138 HydrophobicContact CD2-CG2 4.46Å; L136-V138 HydrophobicContact CG-CG2 4.39Å
137T95.3Very high87.1Confident19 Ų1969.7 Ų69.712%0.11739%0.385CS..EExtended strand (participates in β ladder)trans-119.6126.4173.4-61.50000110.2Q72 F73 S128 S129 K139Q72-T137 HydrophobicContact CG-CG2 3.64Å; F73-T137 CarbonylContact O-C 3.58Å; F73-T137 WeakPolarHBondContact O-CA 3.21Å; S128-T137 CarbonylContact C-O 3.6Å; S128-T137 VanDerWaalsContact CA-O 3.29Å; S128-T137 WeakPolarHBondContact CA-O 3.35Å; S129-T137 PolarHBondContact N-O 2.93Å; S129-T137 PolarHBondContact O-N 2.82Å; T137-K139 HydrophobicContact CG2-CG 4.09Å
138V95.6Very high85.1Confident1 Ų173.2 Ų73.21%0.00640%0.396CS..EExtended strand (participates in β ladder)trans-110.5130.2172.7-172.10000108.4Q72 F73 V87 I94 V126 T127 L136Q72-V138 CarbonylContact C-O 3.42Å; Q72-V138 WeakPolarHBondContact CA-O 3.22Å; F73-V138 HydrophobicContact CB-CB 4.4Å; F73-V138 HydrophobicContact CD1-CB 4.22Å; F73-V138 HydrophobicContact CD1-CG2 4.11Å; F73-V138 PolarHBondContact N-O 2.8Å; F73-V138 PolarHBondContact O-N 3.17Å; V87-V138 HydrophobicContact CG1-CG2 4.02Å; I94-V138 HydrophobicContact CD1-CB 4.3Å; I94-V138 HydrophobicContact CD1-CG1 3.68Å; I94-V138 HydrophobicContact CG1-CG1 4.47Å; I94-V138 HydrophobicContact CG2-CG1 4.48Å; I94-V138 HydrophobicContact CG2-CG2 4.47Å; V126-V138 HydrophobicContact CG1-CG1 3.95Å; T127-V138 CarbonylContact O-C 3.43Å; T127-V138 WeakPolarHBondContact O-CA 3.44Å; L136-V138 HydrophobicContact CD2-CG2 4.46Å; L136-V138 HydrophobicContact CG-CG2 4.39Å
139K94.9Very high83.1Confident94 Ų9477.4 Ų77.441%0.40941%0.411SS..EExtended strand (participates in β ladder)trans-124.3143.5179.7-67.8179.4-178.9174.40110.6Y71 Q72 V126 T127 T137Y71-K139 CarbonylContact O-C 3.59Å; Y71-K139 VanDerWaalsContact O-CA 3.27Å; Y71-K139 WeakPolarHBondContact O-CA 3.33Å; Q72-K139 HydrophobicContact CB-CG 4.42Å; Q72-K139 HydrophobicContact CG-CG 4.17Å; V126-K139 CarbonylContact C-O 3.59Å; V126-K139 WeakPolarHBondContact CA-O 3.48Å; T127-K139 PolarHBondContact N-O 3.17Å; T127-K139 PolarHBondContact O-N 2.79Å; T127-K139 PolarHBondContact OG1-O 3.17Å; T137-K139 HydrophobicContact CG2-CG 4.09Å
140A94.7Very high81.1Confident3 Ų379.6 Ų79.63%0.02542%0.422CS..EExtended strand (participates in β ladder)trans-142.2141.9173.800000110.1S70 Y71 V121 V126S70-A140 CarbonylContact C-O 3.52Å; S70-A140 WeakPolarHBondContact CA-O 3.24Å; S70-A140 VanDerWaalsContact CB-O 3.3Å; S70-A140 WeakPolarHBondContact CB-O 3.29Å; Y71-A140 PolarHBondContact N-O 2.82Å; Y71-A140 PolarHBondContact O-N 2.8Å; V121-A140 HydrophobicContact CG1-CB 3.71Å; V126-A140 HydrophobicContact CG2-CB 3.95Å
141R94.6Very high79.2Confident127 Ų12781.9 Ų81.948%0.47943%0.43SS..EExtended strand (participates in β ladder)trans-77.8151175.8-60.6-83.7-67.3174.912.7110.6D69 D122 S125D69-R141 IonicContact OD1-NH1 3.68Å; D69-R141 IonicContact OD2-CZ 3.03Å; D69-R141 IonicContact OD2-NH1 2.62Å; D69-R141 PolarHBondContact OD2-NH1 3.01Å; D69-R141 IonicContact OD2-NH2 2.88Å; D69-R141 PolarHBondContact OD2-NH2 2.67Å; D122-R141 PolarHBondContact N-O 3.17Å; S125-R141 WeakPolarHBondContact OG-CA 3.27Å; S125-R141 VanDerWaalsContact OG-CB 3.31Å; S125-R141 WeakPolarHBondContact OG-CB 3.44Å; S125-R141 PolarHBondContact OG-N 2.82Å
142R91.7Very high77.8Confident94 Ų9486.7 Ų86.736%0.35545%0.453SS..BIsolated β-bridgetrans-84.2133.9170.3-62.3179.267.2-158.3-2.3109.6G68 D69 Y71 D120 P144G68-R142 WeakPolarHBondContact O-CD 3.3Å; G68-R142 PolarHBondContact O-NH1 2.74Å; D69-R142 WeakPolarHBondContact O-CB 3.42Å; D69-R142 WeakPolarHBondContact O-CG 3.37Å; D69-R142 PolarHBondContact O-N 2.89Å; Y71-R142 HydrophobicContact CD2-CG 3.83Å; Y71-R142 HydrophobicContact CE2-CG 3.39Å; Y71-R142 PolarHBondContact OH-NE 3.23Å; D120-R142 CarbonylContact O-C 3.56Å; D120-R142 WeakPolarHBondContact O-CA 3.47Å; D120-R142 IonicContact OD2-CZ 3.35Å; D120-R142 IonicContact OD2-NE 2.87Å; D120-R142 PolarHBondContact OD2-NE 2.87Å; D120-R142 IonicContact OD2-NH2 2.91Å; D120-R142 PolarHBondContact OD2-NH2 3.16Å; R142-P144 WeakPolarHBondContact O-CD 3.33Å
143N85.2Confident77.3Confident20 Ų2088.2 Ų88.211%0.10745%0.448CS..  trans-105.591.1167.957.114.7000110.5D120 V121 D122 S145 K146D120-N143 VanDerWaalsContact CA-OD1 3.26Å; D120-N143 WeakPolarHBondContact CA-OD1 3.37Å; D120-N143 PolarHBondContact O-N 2.95Å; D120-N143 PolarHBondContact O-OD1 2.75Å; V121-N143 PolarHBondContact N-OD1 2.77Å; V121-N143 PolarHBondContact O-ND2 2.77Å; V121-N143 PolarHBondContact O-OD1 2.92Å; D122-N143 WeakPolarHBondContact CA-ND2 3.41Å; D122-N143 HydrophobicContact CB-CB 4.13Å; D122-N143 PolarHBondContact N-ND2 2.76Å; N143-S145 PolarHBondContact O-N 2.8Å; N143-K146 WeakPolarHBondContact ND2-CD 3.22Å; N143-K146 WeakPolarHBondContact ND2-CE 3.46Å; N143-K146 PolarHBondContact O-N 3.31Å; N143-K146 VanDerWaalsContact O-N 3.08Å
144P68.3Low76.8Confident105 Ų10590.6 Ų90.668%0.68245%0.45SS*.G310 helixtrans-58.4-22.5178.824.3-33.7000113.1R142 K146 H147R142-P144 WeakPolarHBondContact O-CD 3.33Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 3.1Å; P144-H147 WeakPolarHBondContact O-CB 3.25Å; P144-H147 PolarHBondContact O-N 2.96Å
145S63.9Low76.5Confident90 Ų9096 Ų9663%0.62948%0.482SS*.G310 helixtrans-71-13.917832.20000115.4N143 H147N143-S145 PolarHBondContact O-N 2.8Å; S145-H147 VanDerWaalsContact C-N 3.28Å
146K55.7Low75.8Confident106 Ų106100.4 Ų100.446%0.46150%0.498SS..G310 helixtrans-74.7-18.5169.9-90.5-169.6-178172.90113.3E119 V121 N143 P144 E148E119-K146 WeakPolarHBondContact O-CD 3.23Å; V121-K146 PolarHBondContact O-NZ 2.95Å; N143-K146 WeakPolarHBondContact ND2-CD 3.22Å; N143-K146 WeakPolarHBondContact ND2-CE 3.46Å; N143-K146 PolarHBondContact O-N 3.31Å; N143-K146 VanDerWaalsContact O-N 3.08Å; P144-K146 VanDerWaalsContact C-N 3.33Å; P144-K146 PolarHBondContact O-N 3.1Å; K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 2.79Å
147H51.5Low74.8Confident106 Ų106107.6 Ų107.649%0.49154%0.535SS..G310 helixtrans-81-3.9-178.4-155.4-85.2000113.3P144 S145 L149P144-H147 WeakPolarHBondContact O-CB 3.25Å; P144-H147 PolarHBondContact O-N 2.96Å; S145-H147 VanDerWaalsContact C-N 3.28Å; H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 3.23Å
148E52.2Low73.1Confident161 Ų161116.2 Ų116.275%0.75257%0.571SS**G310 helixtrans-77.9-6.7-175-88.9-154.9101.400115.5K146K146-E148 VanDerWaalsContact C-N 3.27Å; K146-E148 PolarHBondContact O-N 2.79Å
149L53.9Low72.1Confident164 Ų164127 Ų12786%0.85963%0.626SS**G310 helixtrans-89.8-3.7-175.7-68175.8000115.5H147H147-L149 VanDerWaalsContact C-N 3.33Å; H147-L149 PolarHBondContact O-N 3.23Å
150T51.7Low71Confident113 Ų113128.7 Ų128.769%0.69364%0.637SS**  trans-144.921.9-175.553.60000115.1T152T150-T152 PolarHBondContact O-N 2.95Å
151Q55Low69.7Low115 Ų115135.3 Ų135.354%0.53767%0.669SS.*  trans-80.491.5172.5-160.7106.347.300110.1F153Q151-F153 HydrophobicContact CB-CD2 4.5Å; Q151-F153 HydrophobicContact CB-CE2 3.89Å; Q151-F153 HydrophobicContact CB-CZ 4.13Å; Q151-F153 HydrophobicContact CG-CD1 4.48Å; Q151-F153 HydrophobicContact CG-CD2 4.32Å; Q151-F153 HydrophobicContact CG-CE1 3.94Å; Q151-F153 HydrophobicContact CG-CE2 3.76Å; Q151-F153 HydrophobicContact CG-CZ 3.57Å; Q151-F153 WeakPolarHBondContact O-CD2 3.33Å; Q151-F153 PolarHBondContact O-N 3.46Å; Q151-F153 VanDerWaalsContact O-N 3.14Å
152T64.6Low68.3Low140 Ų140135.8 Ų135.886%0.85968%0.68SS**  trans-73.7102.4173.7-30.50000109.3T150 R154T150-T152 PolarHBondContact O-N 2.95Å; T152-R154 PolarHBondContact O-N 2.8Å
153F82.9Confident67Low174 Ų174138.2 Ų138.276%0.76370%0.699SS**  trans-80118.6174-63.9-85.1000109.8Q151Q151-F153 HydrophobicContact CB-CD2 4.5Å; Q151-F153 HydrophobicContact CB-CE2 3.89Å; Q151-F153 HydrophobicContact CB-CZ 4.13Å; Q151-F153 HydrophobicContact CG-CD1 4.48Å; Q151-F153 HydrophobicContact CG-CD2 4.32Å; Q151-F153 HydrophobicContact CG-CE1 3.94Å; Q151-F153 HydrophobicContact CG-CE2 3.76Å; Q151-F153 HydrophobicContact CG-CZ 3.57Å; Q151-F153 WeakPolarHBondContact O-CD2 3.33Å; Q151-F153 PolarHBondContact O-N 3.46Å; Q151-F153 VanDerWaalsContact O-N 3.14Å
154R80.4Confident65.8Low197 Ų197145.6 Ų145.674%0.74374%0.736SS**  trans-98.6112.7169.7-175176.7-175.2-115.5-6.9108.8T152 E156T152-R154 PolarHBondContact O-N 2.8Å; R154-E156 VanDerWaalsContact CZ-CD 3.42Å; R154-E156 IonicContact CZ-OE1 3.84Å; R154-E156 IonicContact CZ-OE2 2.67Å; R154-E156 IonicContact NH1-OE1 3.1Å; R154-E156 PolarHBondContact NH1-OE1 2.94Å; R154-E156 IonicContact NH1-OE2 3.31Å; R154-E156 PolarHBondContact NH1-OE2 2.77Å; R154-E156 VanDerWaalsContact NH1-OE2 3.1Å; R154-E156 IonicContact NH2-OE1 3.09Å; R154-E156 PolarHBondContact NH2-OE1 3.09Å
155T84.7Confident65.7Low125 Ų125148.3 Ų148.377%0.76774%0.74SS**  trans-95.3125170.331.50000110.5
156E78.8Confident65.8Low147 Ų147152.5 Ų152.569%0.68775%0.748SS**  trans-111.4122.8167.5-66.7-179118.100108.1R154R154-E156 VanDerWaalsContact CZ-CD 3.42Å; R154-E156 IonicContact CZ-OE1 3.84Å; R154-E156 IonicContact CZ-OE2 2.67Å; R154-E156 IonicContact NH1-OE1 3.1Å; R154-E156 PolarHBondContact NH1-OE1 2.94Å; R154-E156 IonicContact NH1-OE2 3.31Å; R154-E156 PolarHBondContact NH1-OE2 2.77Å; R154-E156 VanDerWaalsContact NH1-OE2 3.1Å; R154-E156 IonicContact NH2-OE1 3.09Å; R154-E156 PolarHBondContact NH2-OE1 3.09Å
157I75.8Confident66.6Low158 Ų158156.1 Ų156.181%0.8177%0.77SS**  trans-117.3124.6176.4-57.5174.9000107
158K59.8Low67.8Low200 Ų200160.3 Ų160.387%0.8779%0.793SS**  trans-114.2128.3175.8-176.9175.5169.4-1770109
159I74.2Confident69.2Low229 Ų229160.2 Ų160.2100%1.17480%0.797SS**  trans-790172.958169.4000111.7

Retrieved 159 of 159 residues in 151.7 ms (Link to these results)