A0A096NI98_PAPAN Loading...

Large ribosomal subunit protein uL2m

AlphaFold DB , UniProt , Accession A0A096NI98, Species PAPAN (Papio anubis, Olive baboon), Gene MRPL2, Length 305 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
1M36.3Very low35.7Very low250 Ų250169.8 Ų169.8100%1.23288%0.876SS**  0130.60-55.6-162.8178.500108.4
2A35Very low35.6Very low84 Ų84165.3 Ų165.369%0.69487%0.87SS**  cis-158.9132-10.600000104.7
3L32.3Very low35.3Very low142 Ų142164.8 Ų164.874%0.74387%0.867SS**  47.8113.1108-89.3114.9000114.4
4W35Very low35Very low239 Ų239161.9 Ų161.991%0.90587%0.867SS**  106.8163.377-99.730.4000112.2
5A36.3Very low35Very low92 Ų92161.7 Ų161.776%0.7687%0.865SS**  trans84.4112.1171.300000115.4
6L36.6Very low35.1Very low159 Ų159157.6 Ų157.683%0.83286%0.861SS**  cis70.394.434.5-132.4166.4000112.6
7T42.7Very low35.9Very low143 Ų143155.5 Ų155.588%0.87786%0.856SS**  trans-131.1110.3165.746.50000110.7
8R33.5Very low36.3Very low236 Ų236153.5 Ų153.589%0.89185%0.852SS**  trans-69.3140.4163.4-88.3172.2159.1174.3-6.3109.6
9A38.5Very low36.3Very low107 Ų107153.2 Ų153.288%0.88485%0.854SS**  trans-108124.3162.600000109.9
10L34.8Very low36.4Very low168 Ų168152.8 Ų152.888%0.8886%0.856SS**  trans-94.8138.5172.2-87.2151.4000109.7
11R31.4Very low36.3Very low248 Ų248150.3 Ų150.394%0.93686%0.855SS**  trans176.7134.8150.6-102.5174.8-177.4-153.20.4105.9
12S34.3Very low36.3Very low115 Ų115142.9 Ų142.980%0.80483%0.833SS**  cis-167.6146.48.138.70000108
13L31.9Very low36.8Very low160 Ų160144.9 Ų144.984%0.83884%0.839SS**  trans-71.3150.4173.8-76.5126.2000112.7L15L13-L15 HydrophobicContact CD2-CD1 4.34Å
14S31.7Very low37.1Very low123 Ų123142.3 Ų142.386%0.8684%0.838SS**  trans-148.3119.4136.475.90000110.8
15L34.8Very low37.8Very low160 Ų160136.6 Ų136.684%0.83883%0.832SS**  trans-104.2143.2168.8-85.4156.2000108.1L13L13-L15 HydrophobicContact CD2-CD1 4.34Å
16A36.3Very low37.5Very low96 Ų96137.3 Ų137.379%0.79383%0.831SS**  trans-142152.1160.300000109.8
17P49Very low37.3Very low122 Ų122137.2 Ų137.279%0.79283%0.831SS**  trans-103.2177.4-145.539.9-34.2000114.9
18P43.9Very low36.6Very low119 Ų119139.5 Ų139.577%0.77383%0.829SS**  trans-95.6155.6-173.937-30.7000113.1
19T35.7Very low37.1Very low147 Ų147134.1 Ų134.190%0.90282%0.824SS**  trans-126.3124.716848.30000110.8
20V38.9Very low36.8Very low146 Ų146133.3 Ų133.389%0.88582%0.818SS**  trans-102.6136.8174.61690000108.5
21A32.8Very low36.8Very low101 Ų101130.3 Ų130.384%0.83582%0.818SS**  trans-167.3121.8147.400000111.2
22A37.4Very low36.9Very low93 Ų93126.9 Ų126.977%0.76981%0.812SS**  trans-93.9174.2158.200000108.1
23P45.2Very low36.9Very low127 Ų127130.5 Ų130.583%0.82582%0.818SS**  cis-144.4179.739.434.9-10.1000117.2
24A37.7Very low36.9Very low88 Ų88128.4 Ų128.473%0.72781%0.812SS**  trans-71.9-166.8169.900000112.1
25P50.3Low37.1Very low119 Ų119130.4 Ų130.477%0.77381%0.813SS**  cis-143.8178.11.141.7-21.5000116.6
26S31.1Very low37.3Very low107 Ų107130.5 Ų130.575%0.74881%0.814SS**  trans167.3113.4145.955.60000111.1
27L30.4Very low37.3Very low157 Ų157130.1 Ų130.182%0.82281%0.811SS**  71.8103.987.6-72.5166.8000116
28F30Very low36.6Very low191 Ų191131.6 Ų131.684%0.83881%0.812SS**  trans26.4161.7140.4-66.1-70.8000122.5
29P43.6Very low36.2Very low122 Ų122134 Ų13479%0.79282%0.817SS**  cis-143.1179.923.938.4-15.2000118.8
30A30.7Very low36.3Very low91 Ų91135.2 Ų135.275%0.75281%0.813SS**  trans-29.1144.8170.100000120.2
31A36.5Very low36.3Very low105 Ų105136.1 Ų136.187%0.86881%0.807SS**  trans-139.4115.213900000109.3
32Q33.3Very low36.3Very low175 Ų175137.8 Ų137.882%0.81881%0.809SS**  trans-77.2132.5170.4-68.6170.4-38.100109.2
33M33.2Very low36.3Very low191 Ų191138.4 Ų138.494%0.94181%0.808SS**  trans-136.7112.5153.3-90.8-82.7135.300107.1
34V32.9Very low36Very low117 Ų117135.8 Ų135.871%0.70980%0.798SS**  trans-66.9132.3177.3175.50000108.6
35N34.8Very low36Very low164 Ų164139.9 Ų139.988%0.87781%0.806SS**  trans-154.5106141.7-102.1-17.6000110.3A37N35-A37 PolarHBondContact O-N 2.97Å
36N39.9Very low35.5Very low162 Ų162142.2 Ų142.287%0.86681%0.809SS**  trans-72.8113.1164.5-96.1-18.3000108.6
37A35.4Very low35.9Very low88 Ų88144.9 Ų144.973%0.72781%0.814SS**  trans-172.3130.6142.600000109.9N35N35-A37 PolarHBondContact O-N 2.97Å
38L34.9Very low36.5Very low154 Ų154144.8 Ų144.881%0.80681%0.813SS**  trans77.572.3163-61.6159.4000116.8Q40L38-Q40 PolarHBondContact O-N 2.93Å; L38-Q40 VanDerWaalsContact O-N 3.07Å
39L36.3Very low37Very low168 Ų168141.1 Ų141.188%0.8881%0.809SS**  trans-55.299.2142.5-84.6159.2000109.9
40Q38Very low36.9Very low173 Ų173141.1 Ų141.181%0.80881%0.81SS**  trans-134.398.9153.1-81-174-21.700109L38L38-Q40 PolarHBondContact O-N 2.93Å; L38-Q40 VanDerWaalsContact O-N 3.07Å
41Q37.3Very low37.3Very low166 Ų166147.7 Ų147.778%0.77682%0.816SS**  trans-62.3137.8162.7-65.8-168.8-31.800108.9S43Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.43Å
42P34.4Very low37.4Very low135 Ų135147.8 Ų147.888%0.87781%0.807SS**  trans-72.991.7166.529.1-29.6000108A44P42-A44 PolarHBondContact O-N 2.78Å
43S37.2Very low38Very low107 Ų107146.7 Ų146.775%0.74881%0.806SS**  trans-70.6119.7172.739.10000109.9Q41Q41-S43 VanDerWaalsContact C-N 3.29Å; Q41-S43 PolarHBondContact O-N 3.43Å
44A38.1Very low38.3Very low72 Ų72143.9 Ų143.960%0.59579%0.793SS**  trans52101.1155.700000117.2P42 M46P42-A44 PolarHBondContact O-N 2.78Å; A44-M46 VanDerWaalsContact C-N 3.33Å; A44-M46 PolarHBondContact O-N 3.48Å
45L38.2Very low39Very low174 Ų174144.9 Ų144.991%0.91180%0.8SS**  trans-44.4101.6144.8-112.6144000108.2L47L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.05Å
46M39.5Very low39.9Very low168 Ų168141.7 Ų141.783%0.82879%0.79SS**  trans-63.991.3174.4-77.2-75.9175.100107.7A44 L48A44-M46 VanDerWaalsContact C-N 3.33Å; A44-M46 PolarHBondContact O-N 3.48Å; M46-L48 PolarHBondContact O-N 3.41Å
47L40Very low40.4Very low162 Ų162140.2 Ų140.285%0.84879%0.787SS**  trans-52.1109.6161.5-80163000106.4L45 P49L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.05Å; L47-P49 VanDerWaalsContact O-N 3.11Å
48L42.4Very low41.1Very low156 Ų156139.3 Ų139.382%0.81778%0.78SS**  trans-42.6122.9169.1-78.6159.3000107.5M46 C50M46-L48 PolarHBondContact O-N 3.41Å; L48-C50 PolarHBondContact O-N 3.06Å
49P39.9Very low41.9Very low114 Ų114137.6 Ų137.674%0.7477%0.771SS**  trans-57.3113.518021.8-30.9000106.8L47 R51L47-P49 VanDerWaalsContact O-N 3.11Å; P49-R51 PolarHBondContact O-N 3.25Å
50C42.3Very low42.9Very low122 Ų122136.9 Ų136.982%0.82477%0.768SS**  trans-51.8109.6170.3-740000105.7L48 P52L48-C50 PolarHBondContact O-N 3.06Å; C50-P52 VanDerWaalsContact O-CD 3.32Å; C50-P52 WeakPolarHBondContact O-CD 3.35Å
51R38.7Very low44.1Very low229 Ų229131.1 Ų131.186%0.86475%0.75SS**  trans-48.9117.9-179.6-74.5-171.7177.6-158.20.2106.9P49 I53P49-R51 PolarHBondContact O-N 3.25Å; R51-I53 PolarHBondContact O-N 3.43Å
52P38.3Very low46.5Very low106 Ų106131 Ų13169%0.68875%0.754SS**  trans-59.1120.2170.724.1-29.9000105.2C50 L54C50-P52 VanDerWaalsContact O-CD 3.32Å; C50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-L54 PolarHBondContact O-N 2.79Å
53I46.7Very low49.1Very low153 Ų153129.6 Ų129.679%0.78574%0.735SS**  trans-64.792.7168.8-63.9171.8000104.3R51 T55R51-I53 PolarHBondContact O-N 3.43Å; I53-T55 PolarHBondContact O-N 3.48Å
54L38.8Very low51.8Low131 Ų131129.7 Ų129.769%0.68673%0.73SS**  trans-54.3106.1172.7-79.3162.2000107.3P52 S56P52-L54 PolarHBondContact O-N 2.79Å; L54-S56 PolarHBondContact O-N 2.8Å
55T48Very low54.5Low138 Ų138128.6 Ų128.685%0.84772%0.719SS**SBendtrans-82.17.217743.60000113.1I53I53-T55 PolarHBondContact O-N 3.48Å
56S53.9Low57.3Low97 Ų97123.1 Ų123.168%0.67869%0.686SS**  trans-140.580177.458.80000111L54L54-S56 PolarHBondContact O-N 2.8Å
57V50.1Low60Low132 Ų132122.6 Ų122.680%0.868%0.679SS**  trans-96.3115.3152.7179.90000106.5
58A51Low62.6Low69 Ų69119.4 Ų119.457%0.5767%0.67SS**  trans-108.7144.2166.700000104.9
59L51.9Low65.2Low118 Ų118118.5 Ų118.562%0.61866%0.656SS**SBendcis-161.4160.915.8-85.5138.3000105.6
60N55.9Low67.9Low152 Ų152119.6 Ų119.681%0.81366%0.661SS**  trans75.963.8-169.3-61.5-18.8000115.1N62N60-N62 PolarHBondContact O-N 2.89Å
61A63.8Low70.5Confident52 Ų52121.8 Ų121.843%0.4366%0.656SS.*  trans-71.3124.316100000109.5F63A61-F63 PolarHBondContact O-N 2.91Å
62N87.1Confident73.2Confident163 Ų163114.8 Ų114.887%0.87263%0.63SS**  trans-70.666.9169.3-70.1-18.9000110.2N60 V64N60-N62 PolarHBondContact O-N 2.89Å; N62-V64 PolarHBondContact O-N 2.87Å
63F90.6Very high76Confident107 Ų107111.6 Ų111.647%0.46961%0.609SS.*  trans-81.7109.4178.2176.6-97.6000110.3A61 H87A61-F63 PolarHBondContact O-N 2.91Å; F63-H87 HydrophobicContact CB-CB 4.32Å; F63-H87 HydrophobicContact CD1-CB 3.86Å; F63-H87 HydrophobicContact CG-CB 4.4Å
64V93.4Very high78.5Confident108 Ų108107.6 Ų107.666%0.65559%0.588SS**  trans-103123.4168-176.10000109.1N62N62-V64 PolarHBondContact O-N 2.87Å
65S94.9Very high81.2Confident50 Ų50103.8 Ų103.835%0.3558%0.576SS.*  trans-65.2136175.9-179.10000110.6K67S65-K67 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact OG-N 2.77Å
66W95.5Very high83.6Confident59 Ų5999.1 Ų99.122%0.22355%0.548CS..SBendtrans-68.7-11.7173.868.7-92000113S68 M79 R80 Y104W66-S68 PolarHBondContact O-N 2.91Å; W66-M79 HydrophobicContact CD2-CB 3.83Å; W66-M79 HydrophobicContact CE3-CB 3.91Å; W66-M79 HydrophobicContact CH2-CB 3.9Å; W66-M79 HydrophobicContact CZ2-CB 3.78Å; W66-M79 HydrophobicContact CZ2-CE 4.12Å; W66-M79 HydrophobicContact CZ3-CB 3.95Å; W66-R80 HydrophobicContact CB-CB 4.37Å; W66-R80 HydrophobicContact CB-CG 4.49Å; W66-R80 HydrophobicContact CG-CB 4.5Å; W66-R80 PolarHBondContact NE1-O 2.78Å; W66-Y104 AromaticContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD2 4Å; W66-Y104 HydrophobicContact CH2-CE1 4.35Å; W66-Y104 AromaticContact CH2-CG 3.52Å; W66-Y104 HydrophobicContact CH2-CG 3.52Å; W66-Y104 AromaticContact CZ3-CD1 3.84Å; W66-Y104 HydrophobicContact CZ3-CD1 3.84Å; W66-Y104 AromaticContact CZ3-CG 3.96Å; W66-Y104 HydrophobicContact CZ3-CG 3.96Å
67K96.3Very high85.7Confident156 Ų15695.6 Ų95.668%0.67852%0.522SS*.  trans-82.953.5-178.3-55.8176.5-177.4177.10111.5S65S65-K67 PolarHBondContact O-N 2.81Å; S65-K67 PolarHBondContact OG-N 2.77Å
68S95.4Very high88Confident95 Ų9598.2 Ų98.266%0.66452%0.523SS*.  trans-103.4-5.5-178.256.30000113.8W66 T70W66-S68 PolarHBondContact O-N 2.91Å; S68-T70 PolarHBondContact O-N 2.81Å
69R96Very high90.1Very high137 Ų13797.2 Ų97.252%0.51751%0.507SS..  trans-68.6129.4-178.5178.7169.1-73.9-109.8-5.7110.9K71 T73 M106R69-K71 WeakPolarHBondContact CD-O 3.47Å; R69-K71 VanDerWaalsContact CG-O 3.24Å; R69-K71 WeakPolarHBondContact CG-O 3.45Å; R69-T73 PolarHBondContact NH1-OG1 3.47Å; R69-M106 HydrophobicContact CG-SD 4.36Å
70T96.8Very high92.2Very high137 Ų137100.4 Ų100.484%0.8451%0.511SS*.  trans-94.9-45.2-178.851.60000112.8S68S68-T70 PolarHBondContact O-N 2.81Å
71K96.8Very high94.1Very high168 Ų16897.1 Ų97.173%0.7349%0.489SS*.SBendtrans-86.8142.5-179-63.8-173.3-180-175.70112.3R69R69-K71 WeakPolarHBondContact CD-O 3.47Å; R69-K71 VanDerWaalsContact CG-O 3.24Å; R69-K71 WeakPolarHBondContact CG-O 3.45Å
72Y96.9Very high95.6Very high83 Ų8398 Ų9833%0.32549%0.493SS..  trans-66142.2174.3-178.1-92000111.3I74 M106 R149 W150Y72-I74 HydrophobicContact CE1-CG2 3.97Å; Y72-M106 HydrophobicContact CD2-CB 3.99Å; Y72-M106 HydrophobicContact CD2-CE 4.25Å; Y72-M106 HydrophobicContact CE2-CB 3.68Å; Y72-M106 PolarHBondContact OH-O 2.9Å; Y72-R149 HydrophobicContact CE1-CB 4.06Å; Y72-R149 VanDerWaalsContact OH-CA 3.3Å; Y72-R149 WeakPolarHBondContact OH-CA 3.42Å; Y72-W150 PolarHBondContact OH-N 3.49Å
73T97.3Very high96Very high39 Ų3990.7 Ų90.724%0.23946%0.456CS..  trans-152.1136.7178.6-51.40000110.8R69 A75 M106R69-T73 PolarHBondContact NH1-OG1 3.47Å; T73-A75 HydrophobicContact CG2-CB 3.85Å; T73-M106 PolarHBondContact N-SD 3Å
74I97.4Very high96.2Very high68 Ų6885.9 Ų85.935%0.34944%0.436SS..SBendtrans-76.2-24.6177.959.9170.9000113.2Y72 L141 K148 W150Y72-I74 HydrophobicContact CE1-CG2 3.97Å; I74-L141 HydrophobicContact CG2-CD1 4.44Å; I74-K148 HydrophobicContact CG2-CB 4.2Å; I74-K148 VanDerWaalsContact CG2-O 3.28Å; I74-K148 WeakPolarHBondContact CG2-O 3.18Å; I74-W150 PolarHBondContact O-NE1 3.29Å
75A97.2Very high96.3Very high52 Ų5285.9 Ų85.943%0.4342%0.424SS..SBendtrans-65136.8-179.600000110.8T73 V77T73-A75 HydrophobicContact CG2-CB 3.85Å; A75-V77 PolarHBondContact O-N 2.81Å
76P97.7Very high96.3Very high39 Ų3985.7 Ų85.725%0.25342%0.419SS..PPolyproline II helixtrans-62.4120.7178.8-22.633.2000112.1R103 Y104 R105P76-R103 HydrophobicContact CB-CB 3.62Å; P76-R103 HydrophobicContact CB-CG 4.38Å; P76-Y104 CarbonylContact C-O 3.54Å; P76-Y104 WeakPolarHBondContact CA-O 3.43Å; P76-R105 HydrophobicContact CB-CG 4.43Å; P76-R105 HydrophobicContact CG-CG 4.45Å
77V98.1Very high96.3Very high24 Ų2489 Ų8915%0.14544%0.437CS..EExtended strand (participates in β ladder)trans-82.7137.8-179.3-178.40000110A75 M79 R103 Y104 M106A75-V77 PolarHBondContact O-N 2.81Å; V77-M79 PolarHBondContact O-N 2.92Å; V77-R103 CarbonylContact O-C 3.43Å; V77-R103 WeakPolarHBondContact O-CA 3.49Å; V77-Y104 PolarHBondContact N-O 3.44Å; V77-Y104 PolarHBondContact O-N 2.93Å; V77-M106 HydrophobicContact CG2-CG 4.48Å; V77-M106 HydrophobicContact CG2-SD 4.48Å
78K97.4Very high96.2Very high187 Ų18784.1 Ų84.181%0.81342%0.42SS*.EExtended strand (participates in β ladder)trans-66.8119.5173-66.1179.7-178.3175.50108.9
79M96.8Very high96Very high47 Ų4781.5 Ų81.523%0.23241%0.408CS..  trans-108.5144.8176.565.3171.4-64.300111.3W66 V77 Q102W66-M79 HydrophobicContact CD2-CB 3.83Å; W66-M79 HydrophobicContact CE3-CB 3.91Å; W66-M79 HydrophobicContact CH2-CB 3.9Å; W66-M79 HydrophobicContact CZ2-CB 3.78Å; W66-M79 HydrophobicContact CZ2-CE 4.12Å; W66-M79 HydrophobicContact CZ3-CB 3.95Å; V77-M79 PolarHBondContact O-N 2.92Å; M79-Q102 HydrophobicContact CG-CB 4.49Å; M79-Q102 VanDerWaalsContact CG-O 3.29Å; M79-Q102 WeakPolarHBondContact CG-O 3.36Å; M79-Q102 HydrophobicContact SD-CB 4.05Å
80R95.5Very high95.9Very high185 Ų18582.5 Ų82.570%0.69841%0.412SS*.  trans-101.9130.8172.9-63.2176.172.1-167.44.3109.1W66W66-R80 HydrophobicContact CB-CB 4.37Å; W66-R80 HydrophobicContact CB-CG 4.49Å; W66-R80 HydrophobicContact CG-CB 4.5Å; W66-R80 PolarHBondContact NE1-O 2.78Å
81K95.4Very high95.8Very high84 Ų8479.8 Ų79.837%0.36539%0.391SS..  trans-77.7142.4176.1-62.4-179.6-169.8-94.20109.6G98 H100K81-G98 VanDerWaalsContact CD-O 3.24Å; K81-G98 WeakPolarHBondContact CD-O 3.2Å; K81-H100 WeakPolarHBondContact CE-O 3.22Å; K81-H100 PolarHBondContact NZ-O 2.81Å
82S94.7Very high95.8Very high71 Ų7181.3 Ų81.350%0.49739%0.392SS..  trans-83.7-28.5177.761.40000113.6G84S82-G84 PolarHBondContact O-N 3.11Å; S82-G84 PolarHBondContact OG-N 3.42Å
83G95.3Very high95.9Very high9 Ų981 Ų819%0.09340%0.399CS..THydrogen-bonded Turntrans65.423.8-173.500000114.1R85 I96G83-R85 WeakPolarHBondContact O-CD 3.33Å; G83-R85 PolarHBondContact O-NH1 2.76Å; G83-I96 CarbonylContact C-O 3.5Å
84G95.8Very high95.8Very high5 Ų586.4 Ų86.45%0.05242%0.421CS..THydrogen-bonded Turntrans82.412.9178.500000115.4S82 R92 V93S82-G84 PolarHBondContact O-N 3.11Å; S82-G84 PolarHBondContact OG-N 3.42Å; G84-R92 PolarHBondContact O-N 2.74Å; G84-V93 WeakPolarHBondContact CA-O 3.38Å; G84-V93 PolarHBondContact O-N 3Å; G84-V93 VanDerWaalsContact O-N 3.09Å
85R95.9Very high95.8Very high109 Ų10984.2 Ų84.241%0.41142%0.416SS..BIsolated β-bridgetrans-94.9151.5174.7-68.570.7166.7-166.5-8.4111.3G83 G89 R90 I91G83-R85 WeakPolarHBondContact O-CD 3.33Å; G83-R85 PolarHBondContact O-NH1 2.76Å; R85-G89 WeakPolarHBondContact CG-O 3.41Å; R85-R90 WeakPolarHBondContact CA-O 3.41Å; R85-I91 HydrophobicContact CG-CG1 4.28Å
86D95.2Very high95.9Very high45 Ų4585.3 Ų85.324%0.24141%0.413CS..  trans-93.2-173169.565.414.8000111.9T88 G89 R90 R92D86-T88 PolarHBondContact O-N 2.87Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 3.38Å; D86-T88 PolarHBondContact OD1-OG1 2.7Å; D86-G89 PolarHBondContact O-N 2.67Å; D86-G89 VanDerWaalsContact O-N 3.09Å; D86-G89 PolarHBondContact OD1-N 3.35Å; D86-R90 PolarHBondContact N-O 3.4Å; D86-R90 PolarHBondContact OD1-N 3.38Å; D86-R92 HydrophobicContact CB-CB 4.5Å
87H94.4Very high95.7Very high130 Ų13084 Ų8460%0.60241%0.407SS*.THydrogen-bonded Turntrans-65.8-22.9-179.164-91.1000113F63 G89F63-H87 HydrophobicContact CB-CB 4.32Å; F63-H87 HydrophobicContact CD1-CB 3.86Å; F63-H87 HydrophobicContact CG-CB 4.4Å; H87-G89 PolarHBondContact O-N 2.87Å
88T93.7Very high95.6Very high52 Ų5285.3 Ų85.332%0.31943%0.425SS..THydrogen-bonded Turntrans-76.3-13.6175.474.30000112.5D86 R90D86-T88 PolarHBondContact O-N 2.87Å; D86-T88 WeakPolarHBondContact OD1-CB 3.44Å; D86-T88 PolarHBondContact OD1-N 3.38Å; D86-T88 PolarHBondContact OD1-OG1 2.7Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact OG1-N 2.86Å
89G91.3Very high95.6Very high40 Ų4077.8 Ų77.841%0.41240%0.401SS..SBendtrans89.4-5.3-175.200000113.9R85 D86 H87R85-G89 WeakPolarHBondContact CG-O 3.41Å; D86-G89 PolarHBondContact O-N 2.67Å; D86-G89 VanDerWaalsContact O-N 3.09Å; D86-G89 PolarHBondContact OD1-N 3.35Å; H87-G89 PolarHBondContact O-N 2.87Å
90R93.6Very high95.7Very high158 Ų15882.2 Ų82.260%0.59642%0.421SS*.  trans-76.4149.5177.7-66-179.4177.4175.7-0.2111.3R85 D86 T88 R92R85-R90 WeakPolarHBondContact CA-O 3.41Å; D86-R90 PolarHBondContact N-O 3.4Å; D86-R90 PolarHBondContact OD1-N 3.38Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact OG1-N 2.86Å; R90-R92 PolarHBondContact O-N 3.37Å
91I95.8Very high95.8Very high81 Ų8182.5 Ų82.542%0.41543%0.427SS..BIsolated β-bridgetrans-73.7117.7175.3-63.5174.2000108.5R85R85-I91 HydrophobicContact CG-CG1 4.28Å
92R96.9Very high95.9Very high200 Ų20080.9 Ų80.976%0.75542%0.421SS*.  trans-102.9-29.9174.3-172.2172.6179.4178.71.4112.3G84 D86 R90G84-R92 PolarHBondContact O-N 2.74Å; D86-R92 HydrophobicContact CB-CB 4.5Å; R90-R92 PolarHBondContact O-N 3.37Å
93V97.7Very high96Very high76 Ų7684.2 Ų84.246%0.46142%0.423SS..SBendtrans-129.4118.3179.7-174.60000109.6G84 I96G84-V93 WeakPolarHBondContact CA-O 3.38Å; G84-V93 PolarHBondContact O-N 3Å; G84-V93 VanDerWaalsContact O-N 3.09Å; V93-I96 HydrophobicContact CB-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CD1 3.57Å; V93-I96 HydrophobicContact CG1-CG1 4.18Å
94H97.1Very high96.2Very high152 Ų15287 Ų8770%0.70443%0.431SS*.THydrogen-bonded Turntrans-75.9164.5176.5-62.2-87.1000111.6I96H94-I96 VanDerWaalsContact C-N 3.28Å; H94-I96 PolarHBondContact O-N 3.17Å
95G96.9Very high96.3Very high23 Ų2387.9 Ų87.924%0.23743%0.433CS..THydrogen-bonded Turntrans79.6-0.2174.800000115.7K268 R269G95-K268 CarbonylContact O-C 3.5Å; G95-K268 WeakPolarHBondContact O-CA 3.36Å; G95-R269 PolarHBondContact O-N 2.86Å
96I97.9Very high96.4Very high74 Ų7484.3 Ų84.338%0.37942%0.421SS..BIsolated β-bridgetrans-107.6132.8180-56.3179.5000110.3G83 V93 H94 R269G83-I96 CarbonylContact C-O 3.5Å; V93-I96 HydrophobicContact CB-CD1 4.09Å; V93-I96 HydrophobicContact CG1-CD1 3.57Å; V93-I96 HydrophobicContact CG1-CG1 4.18Å; H94-I96 VanDerWaalsContact C-N 3.28Å; H94-I96 PolarHBondContact O-N 3.17Å; I96-R269 VanDerWaalsContact O-CD 3.31Å; I96-R269 WeakPolarHBondContact O-CD 3.2Å
97G95.1Very high96.5Very high11 Ų1182.9 Ų82.911%0.11341%0.413CS..  trans154.6159.9171.800000114.4G267G97-G267 PolarHBondContact N-O 3.07Å; G97-G267 CarbonylContact O-C 3.43Å
98G96Very high96.7Very high52 Ų5277.3 Ų77.354%0.53639%0.388SS..  trans68.7-135.6-172.300000111.8K81K81-G98 VanDerWaalsContact CD-O 3.24Å; K81-G98 WeakPolarHBondContact CD-O 3.2Å
99G96.9Very high96.9Very high29 Ų2977.2 Ų77.230%0.29938%0.383SS..  trans78.6160.5-178.500000113.8R264 W265G99-R264 VanDerWaalsContact CA-O 3.27Å; G99-R264 WeakPolarHBondContact CA-O 3.24Å; G99-R264 PolarHBondContact N-O 3.46Å; G99-W265 CarbonylContact C-O 3.58Å; G99-W265 VanDerWaalsContact CA-O 3.22Å; G99-W265 WeakPolarHBondContact CA-O 3.31Å
100H98.1Very high97.2Very high141 Ų14176.8 Ų76.865%0.65337%0.371SS*.  trans-62.5146.8178.9-166.7-81.5000110.8K81 W265K81-H100 WeakPolarHBondContact CE-O 3.22Å; K81-H100 PolarHBondContact NZ-O 2.81Å; H100-W265 PolarHBondContact N-O 2.9Å
101K97.8Very high97.3Very high190 Ų19069.9 Ų69.983%0.82635%0.345SS*.  trans-60.7139.8174.9-69.5-178.7-179.51750109.7
102Q97.6Very high97.3Very high51 Ų5167.4 Ų67.424%0.23833%0.331CS..  trans-131.7152.5-175.6-72.1166.8-33.400109.7M79 P133M79-Q102 HydrophobicContact CG-CB 4.49Å; M79-Q102 VanDerWaalsContact CG-O 3.29Å; M79-Q102 WeakPolarHBondContact CG-O 3.36Å; M79-Q102 HydrophobicContact SD-CB 4.05Å; Q102-P133 HydrophobicContact CG-CB 4.05Å; Q102-P133 HydrophobicContact CG-CG 4.28Å; Q102-P133 PolarHBondContact NE2-O 2.99Å; Q102-P133 VanDerWaalsContact NE2-O 3.13Å
103R97.8Very high97.2Very high141 Ų14162.8 Ų62.853%0.53231%0.314SS..EExtended strand (participates in β ladder)trans-116134.4170.1-63.8-173.3-67.1170.7-6108.1P76 V77P76-R103 HydrophobicContact CB-CB 3.62Å; P76-R103 HydrophobicContact CB-CG 4.38Å; V77-R103 CarbonylContact O-C 3.43Å; V77-R103 WeakPolarHBondContact O-CA 3.49Å
104Y98.4Very high96.8Very high66 Ų6661.6 Ų61.626%0.25931%0.308SS..EExtended strand (participates in β ladder)trans-82.8134.9179.9177.7-108.4000110.3W66 P76 V77 M106 C134W66-Y104 AromaticContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD1 3.73Å; W66-Y104 HydrophobicContact CH2-CD2 4Å; W66-Y104 HydrophobicContact CH2-CE1 4.35Å; W66-Y104 AromaticContact CH2-CG 3.52Å; W66-Y104 HydrophobicContact CH2-CG 3.52Å; W66-Y104 AromaticContact CZ3-CD1 3.84Å; W66-Y104 HydrophobicContact CZ3-CD1 3.84Å; W66-Y104 AromaticContact CZ3-CG 3.96Å; W66-Y104 HydrophobicContact CZ3-CG 3.96Å; P76-Y104 CarbonylContact C-O 3.54Å; P76-Y104 WeakPolarHBondContact CA-O 3.43Å; V77-Y104 PolarHBondContact N-O 3.44Å; V77-Y104 PolarHBondContact O-N 2.93Å; Y104-M106 HydrophobicContact CD1-CG 4.22Å; Y104-M106 HydrophobicContact CE1-CB 4.4Å; Y104-M106 HydrophobicContact CE1-CG 3.87Å; Y104-C134 HydrophobicContact CD2-CB 4.49Å
105R98.1Very high96.4Very high25 Ų2555.8 Ų55.89%0.09428%0.281CS..  trans-106.2125.9170.4-65.1179.4-175.397.7-7108.4P76 I107 Y131 D132 P133 I139P76-R105 HydrophobicContact CB-CG 4.43Å; P76-R105 HydrophobicContact CG-CG 4.45Å; R105-I107 HydrophobicContact CB-CD1 4.3Å; R105-I107 PolarHBondContact O-N 3.06Å; R105-Y131 PolarHBondContact NH1-O 2.83Å; R105-D132 IonicContact NH1-OD1 3.44Å; R105-D132 PolarHBondContact NH1-OD1 2.85Å; R105-P133 VanDerWaalsContact NH1-CD 3.26Å; R105-I139 HydrophobicContact CB-CD1 4.23Å; R105-I139 HydrophobicContact CG-CD1 4.46Å
106M98.1Very high95.8Very high34 Ų3464.7 Ų64.717%0.16732%0.316CS..  trans-69.8123.9176.7-61-179.674.100108R69 Y72 T73 V77 Y104 W150R69-M106 HydrophobicContact CG-SD 4.36Å; Y72-M106 HydrophobicContact CD2-CB 3.99Å; Y72-M106 HydrophobicContact CD2-CE 4.25Å; Y72-M106 HydrophobicContact CE2-CB 3.68Å; Y72-M106 PolarHBondContact OH-O 2.9Å; T73-M106 PolarHBondContact N-SD 3Å; V77-M106 HydrophobicContact CG2-CG 4.48Å; V77-M106 HydrophobicContact CG2-SD 4.48Å; Y104-M106 HydrophobicContact CD1-CG 4.22Å; Y104-M106 HydrophobicContact CE1-CB 4.4Å; Y104-M106 HydrophobicContact CE1-CG 3.87Å; M106-W150 WeakPolarHBondContact O-CB 3.37Å
107I98.3Very high95.1Very high15 Ų1567.8 Ų67.88%0.07734%0.339CS..  trans-109.7135.2178.9-54.2-51.7000108.5R105 F109 I139 W150R105-I107 HydrophobicContact CB-CD1 4.3Å; R105-I107 PolarHBondContact O-N 3.06Å; I107-F109 HydrophobicContact CB-CE2 4.25Å; I107-F109 HydrophobicContact CB-CZ 4.19Å; I107-F109 HydrophobicContact CG2-CD1 4.32Å; I107-F109 HydrophobicContact CG2-CE1 4.08Å; I107-F109 HydrophobicContact CG2-CZ 4.2Å; I107-I139 HydrophobicContact CD1-CB 4.32Å; I107-I139 HydrophobicContact CD1-CD1 4.07Å; I107-I139 HydrophobicContact CD1-CG2 3.87Å; I107-W150 WeakPolarHBondContact CA-O 3.41Å; I107-W150 HydrophobicContact CD1-CB 3.34Å; I107-W150 HydrophobicContact CD1-CG 4.11Å; I107-W150 WeakPolarHBondContact CG2-O 3.4Å
108D97.8Very high94.7Very high12 Ų1272.9 Ų72.96%0.06436%0.358CS..  trans-88.2109171.7-162.77.4000109.6L110 R113 R149 W150D108-L110 PolarHBondContact OD1-N 2.93Å; D108-R113 IonicContact OD1-CZ 3.18Å; D108-R113 IonicContact OD1-NH1 2.77Å; D108-R113 PolarHBondContact OD1-NH1 2.91Å; D108-R113 IonicContact OD1-NH2 2.81Å; D108-R113 PolarHBondContact OD1-NH2 3.11Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 IonicContact OD2-NH1 2.95Å; D108-R113 PolarHBondContact OD2-NH1 2.87Å; D108-R149 HydrophobicContact CB-CB 4.38Å; D108-R149 VanDerWaalsContact OD2-CD 3.31Å; D108-R149 WeakPolarHBondContact OD2-CD 3.36Å; D108-R149 IonicContact OD2-CZ 3.59Å; D108-R149 IonicContact OD2-NE 3.96Å; D108-R149 IonicContact OD2-NH1 3.78Å; D108-R149 PolarHBondContact OD2-NH1 3.19Å; D108-W150 PolarHBondContact N-O 2.96Å
109F98Very high94.2Very high51 Ų5176.4 Ų76.422%0.22437%0.374CS..  trans-88.1-9.7178.5-67.6-71.1000112.9I107 I152 A204 R208I107-F109 HydrophobicContact CB-CE2 4.25Å; I107-F109 HydrophobicContact CB-CZ 4.19Å; I107-F109 HydrophobicContact CG2-CD1 4.32Å; I107-F109 HydrophobicContact CG2-CE1 4.08Å; I107-F109 HydrophobicContact CG2-CZ 4.2Å; F109-I152 HydrophobicContact CD1-CD1 4.19Å; F109-I152 HydrophobicContact CE1-CD1 3.67Å; F109-I152 HydrophobicContact CE1-CG1 4.35Å; F109-A204 HydrophobicContact CB-CB 4.11Å; F109-A204 HydrophobicContact CD1-CB 4.48Å; F109-A204 WeakPolarHBondContact O-CB 3.29Å; F109-A204 PolarHBondContact O-N 3.44Å; F109-R208 VanDerWaalsContact CZ-NH1 3.35Å
110L97.6Very high93.9Very high30 Ų3075.9 Ų75.916%0.15737%0.369CS..  trans-94.895.7174.8-178.362.4000108D108 R113 R149 E197D108-L110 PolarHBondContact OD1-N 2.93Å; L110-R113 HydrophobicContact CD2-CB 4.22Å; L110-R113 HydrophobicContact CG-CB 4.28Å; L110-R149 PolarHBondContact O-NH1 3.09Å; L110-E197 WeakPolarHBondContact CD1-OE1 3.28Å
111R95.4Very high93.7Very high14 Ų1473 Ų735%0.05336%0.363CS..SBendtrans-63.3-55.2-176.3-72.3-73.1-76.7141.8-7.6110.8R113 E124 R149 N165 G179 A181R111-R113 PolarHBondContact O-N 3.32Å; R111-E124 IonicContact NH1-OE2 3.67Å; R111-E124 PolarHBondContact NH1-OE2 3.26Å; R111-E124 VanDerWaalsContact NH1-OE2 3.11Å; R111-R149 PolarHBondContact O-NH1 3.19Å; R111-R149 VanDerWaalsContact O-NH1 3.11Å; R111-R149 PolarHBondContact O-NH2 2.8Å; R111-N165 PolarHBondContact NH1-OD1 2.97Å; R111-N165 PolarHBondContact NH2-OD1 2.84Å; R111-G179 PolarHBondContact NH2-O 2.86Å; R111-A181 HydrophobicContact CB-CB 3.67Å; R111-A181 HydrophobicContact CG-CB 4.12Å
112F96.1Very high93.6Very high29 Ų2965.7 Ų65.713%0.12733%0.331CS..  trans-79.888.6174.5-170.4-95.7000110.5P114 F122 N165 N167 V241F112-P114 HydrophobicContact CE1-CG 4.21Å; F112-P114 HydrophobicContact CZ-CG 4.46Å; F112-F122 HydrophobicContact CD2-CE1 4.04Å; F112-F122 HydrophobicContact CE2-CD1 4.39Å; F112-F122 HydrophobicContact CE2-CE1 4.11Å; F112-N165 HydrophobicContact CD2-CB 4.48Å; F112-N167 HydrophobicContact CD1-CB 3.7Å; F112-N167 HydrophobicContact CD2-CB 3.94Å; F112-N167 HydrophobicContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CG 3.43Å; F112-N167 VanDerWaalsContact CE1-ND2 3.29Å; F112-N167 WeakPolarHBondContact CE1-ND2 3.31Å; F112-N167 HydrophobicContact CE2-CB 3.74Å; F112-N167 HydrophobicContact CG-CB 3.92Å; F112-N167 HydrophobicContact CZ-CB 3.52Å; F112-N167 VanDerWaalsContact CZ-ND2 3.28Å; F112-N167 WeakPolarHBondContact CZ-ND2 3.44Å; F112-N167 WeakPolarHBondContact CZ-OD1 3.24Å; F112-V241 HydrophobicContact CB-CG1 4.42Å; F112-V241 HydrophobicContact CB-CG2 4.04Å
113R94.1Very high93.6Very high102 Ų10269.2 Ų69.239%0.38535%0.348SS..  trans-126.697.8169.2176.9-179.1-75.4146.84.3107.2D108 L110 R111 F122 R147D108-R113 IonicContact OD1-CZ 3.18Å; D108-R113 IonicContact OD1-NH1 2.77Å; D108-R113 PolarHBondContact OD1-NH1 2.91Å; D108-R113 IonicContact OD1-NH2 2.81Å; D108-R113 PolarHBondContact OD1-NH2 3.11Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 IonicContact OD2-NH1 2.95Å; D108-R113 PolarHBondContact OD2-NH1 2.87Å; L110-R113 HydrophobicContact CD2-CB 4.22Å; L110-R113 HydrophobicContact CG-CB 4.28Å; R111-R113 PolarHBondContact O-N 3.32Å; R113-F122 WeakPolarHBondContact O-CZ 3.4Å; R113-R147 PolarHBondContact O-NH1 3.09Å; R113-R147 PolarHBondContact O-NH2 3.4Å
114P89.9Confident93.6Very high52 Ų5262.7 Ų62.734%0.33832%0.323SS..  trans-54.7155.5173.913.9-23.5000112.1F112 K118 R147F112-P114 HydrophobicContact CE1-CG 4.21Å; F112-P114 HydrophobicContact CZ-CG 4.46Å; P114-K118 WeakPolarHBondContact CB-O 3.35Å; P114-R147 PolarHBondContact O-NH1 3.1Å
115E88Confident93.6Very high30 Ų3065.4 Ų65.414%0.1434%0.336CS..  trans-73.1157168.3-68.4-179.4162.800109.4T117 K118 G144 S146 R147E115-T117 PolarHBondContact O-N 2.99Å; E115-K118 HydrophobicContact CB-CB 4.38Å; E115-K118 PolarHBondContact O-N 3.08Å; E115-K118 VanDerWaalsContact O-O 3.06Å; E115-K118 IonicContact OE2-NZ 3.67Å; E115-G144 VanDerWaalsContact OE1-O 3.07Å; E115-S146 PolarHBondContact OE1-N 3.01Å; E115-R147 HydrophobicContact CG-CG 4.5Å; E115-R147 VanDerWaalsContact OE1-CG 3.31Å; E115-R147 WeakPolarHBondContact OE1-CG 3.41Å; E115-R147 IonicContact OE1-NE 2.99Å
116E84.1Confident93.6Very high209 Ų20964.3 Ų64.398%0.97733%0.332SS*.THydrogen-bonded Turntrans-52.9-35.9-176-67.5175.5-17600112.9
117T84.6Confident93.6Very high139 Ų13966.4 Ų66.485%0.85334%0.343SS*.THydrogen-bonded Turntrans-91.7-13.4-177.7-37.50000113.8E115E115-T117 PolarHBondContact O-N 2.99Å
118K86.1Confident93.6Very high118 Ų11870.2 Ų70.251%0.51336%0.361SS..  trans-118.3120.9-170.4-67.1-178.6-178.7170.30110.8P114 E115P114-K118 WeakPolarHBondContact CB-O 3.35Å; E115-K118 HydrophobicContact CB-CB 4.38Å; E115-K118 PolarHBondContact O-N 3.08Å; E115-K118 VanDerWaalsContact O-O 3.06Å; E115-K118 IonicContact OE2-NZ 3.67Å
119S85.1Confident93.6Very high126 Ų12672.1 Ų72.188%0.88137%0.373SS*.  trans-101.7141167.4-169.60000110
120G91.2Very high93.6Very high19 Ų1973.8 Ų73.820%0.19638%0.378CS..SBendtrans115.5-176.3175.200000115.2
121P94.5Very high93.7Very high80 Ų8079 Ų7952%0.51940%0.396SS..  trans-61.5146.2175-20.733.7000111.7N165P121-N165 WeakPolarHBondContact CA-O 3.38Å
122F95.9Very high93.8Very high37 Ų3778.4 Ų78.416%0.16239%0.394CS..EExtended strand (participates in β ladder)trans-145.4149.917861.2-89.1000111.7F112 R113 E124 R147 N165F112-F122 HydrophobicContact CD2-CE1 4.04Å; F112-F122 HydrophobicContact CE2-CD1 4.39Å; F112-F122 HydrophobicContact CE2-CE1 4.11Å; R113-F122 WeakPolarHBondContact O-CZ 3.4Å; F122-E124 HydrophobicContact CD2-CG 3.89Å; F122-E124 HydrophobicContact CE2-CG 3.9Å; F122-R147 VanDerWaalsContact CE2-NH2 3.35Å; F122-N165 HydrophobicContact CD2-CB 4.28Å; F122-N165 HydrophobicContact CE1-CB 4.16Å; F122-N165 HydrophobicContact CE2-CB 3.87Å; F122-N165 VanDerWaalsContact CE2-ND2 3.28Å; F122-N165 WeakPolarHBondContact CE2-ND2 3.03Å; F122-N165 HydrophobicContact CZ-CB 3.79Å; F122-N165 PolarHBondContact N-O 2.82Å; F122-N165 PolarHBondContact O-N 2.96Å
123E96.5Very high93.9Very high125 Ų12578.7 Ų78.758%0.58440%0.399SS*.EExtended strand (participates in β ladder)trans-101.4147.1177.8-66.1179.4-175.300110.7T162 V163 L164E123-T162 HydrophobicContact CB-CG2 3.9Å; E123-T162 HydrophobicContact CG-CG2 4.3Å; E123-V163 WeakPolarHBondContact CA-O 3.43Å; E123-L164 HydrophobicContact CG-CD1 3.78Å
124E97.6Very high94.1Very high3 Ų376.1 Ų76.11%0.01440%0.396CS..EExtended strand (participates in β ladder)trans-130.1140.5174.8-56.5179.2133.400109.6R111 F122 V142 A143 R147 R149 T162 V163 N165R111-E124 IonicContact NH1-OE2 3.67Å; R111-E124 PolarHBondContact NH1-OE2 3.26Å; R111-E124 VanDerWaalsContact NH1-OE2 3.11Å; F122-E124 HydrophobicContact CD2-CG 3.89Å; F122-E124 HydrophobicContact CE2-CG 3.9Å; E124-V142 HydrophobicContact CB-CB 4.15Å; E124-A143 CarbonylContact C-O 3.53Å; E124-A143 WeakPolarHBondContact CA-O 3.43Å; E124-R147 IonicContact OE1-NH2 3.77Å; E124-R149 IonicContact OE1-CZ 3.11Å; E124-R149 IonicContact OE1-NE 3.2Å; E124-R149 PolarHBondContact OE1-NE 2.94Å; E124-R149 IonicContact OE1-NH2 3.66Å; E124-R149 PolarHBondContact OE1-NH2 3.12Å; E124-R149 IonicContact OE2-CZ 2.81Å; E124-R149 IonicContact OE2-NE 3.77Å; E124-R149 IonicContact OE2-NH2 3.91Å; E124-R149 PolarHBondContact OE2-NH2 2.95Å; E124-T162 CarbonylContact O-C 3.49Å; E124-T162 WeakPolarHBondContact O-CA 3.48Å; E124-V163 HydrophobicContact CB-CG2 3.89Å; E124-V163 PolarHBondContact N-O 3.03Å; E124-V163 WeakPolarHBondContact O-CG2 3.35Å; E124-V163 PolarHBondContact O-N 3.02Å; E124-N165 PolarHBondContact OE2-ND2 2.77Å; E124-N165 VanDerWaalsContact OE2-ND2 3.08Å
125K98.3Very high94.4Very high124 Ų12476.3 Ų76.354%0.53939%0.39SS..EExtended strand (participates in β ladder)trans-94133.1173.8-170.2172.1-176.7172.60110.5I127 V142 A143 G160 D161K125-I127 PolarHBondContact O-N 3.15Å; K125-V142 WeakPolarHBondContact O-CA 3.48Å; K125-A143 PolarHBondContact N-O 3.25Å; K125-A143 PolarHBondContact O-N 3.2Å; K125-G160 WeakPolarHBondContact CE-O 3.48Å; K125-D161 CarbonylContact C-O 3.56Å; K125-D161 WeakPolarHBondContact CA-O 3.42Å
126V98.5Very high94.9Very high1 Ų176.5 Ų76.51%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-75.7120.3173.1-176.70000108.7V129 A140 V142 M157 Q158 G160 D161 V163V126-V129 HydrophobicContact CG1-CG2 4.21Å; V126-A140 HydrophobicContact CG1-CB 4.27Å; V126-V142 HydrophobicContact CG2-CG1 4Å; V126-M157 HydrophobicContact CG1-CG 4.22Å; V126-M157 HydrophobicContact CG1-SD 4.44Å; V126-M157 HydrophobicContact CG2-CG 3.93Å; V126-M157 HydrophobicContact CG2-SD 3.89Å; V126-Q158 WeakPolarHBondContact CB-O 3.29Å; V126-Q158 WeakPolarHBondContact CG1-O 3.28Å; V126-G160 PolarHBondContact O-N 2.87Å; V126-D161 HydrophobicContact CB-CB 4.37Å; V126-D161 HydrophobicContact CG2-CB 4.09Å; V126-D161 WeakPolarHBondContact CG2-O 3.28Å; V126-D161 PolarHBondContact N-O 3.39Å; V126-V163 HydrophobicContact CG2-CG1 4.14Å
127I98.1Very high95.6Very high78 Ų7866.6 Ų66.640%0.435%0.348SS..EExtended strand (participates in β ladder)trans-88.4-48.9177.9-62.1173.3000110.2K125 L141 A143 K148 A159K125-I127 PolarHBondContact O-N 3.15Å; I127-L141 HydrophobicContact CB-CB 4.37Å; I127-L141 HydrophobicContact CB-CD2 4.35Å; I127-L141 HydrophobicContact CB-CG 4.36Å; I127-L141 HydrophobicContact CD1-CD2 4.23Å; I127-L141 HydrophobicContact CD1-CG 4.26Å; I127-L141 HydrophobicContact CG2-CD2 4.37Å; I127-L141 PolarHBondContact N-O 3.29Å; I127-A143 HydrophobicContact CD1-CB 3.54Å; I127-A143 HydrophobicContact CG1-CB 4.19Å; I127-K148 HydrophobicContact CD1-CD 4.26Å; I127-A159 WeakPolarHBondContact O-CB 3.42Å
128Q98.1Very high96.2Very high95 Ų9561.7 Ų61.744%0.44432%0.317SS..EExtended strand (participates in β ladder)trans-157.3137.6-173.9-176179.639.500111.2A140 L141Q128-A140 CarbonylContact O-C 3.56Å; Q128-A140 WeakPolarHBondContact O-CA 3.25Å; Q128-L141 PolarHBondContact O-N 2.86Å
129V98.3Very high96.8Very high52 Ų5256.1 Ų56.132%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-98.1134.5166.7-176.80000109.3V126 D138 I139 A140 A153 M157V126-V129 HydrophobicContact CG1-CG2 4.21Å; V129-D138 HydrophobicContact CG1-CB 4.23Å; V129-I139 WeakPolarHBondContact CA-O 3.05Å; V129-A140 HydrophobicContact CG2-CB 4.26Å; V129-A153 HydrophobicContact CG1-CB 3.99Å; V129-M157 HydrophobicContact CG2-CG 4.33Å
130R98.2Very high97.5Very high86 Ų8650.1 Ų50.133%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-146157.9-176.573.6-172-51.2162.219.6113I139 W150R130-I139 HydrophobicContact CG-CD1 3.98Å; R130-I139 HydrophobicContact CG-CG1 3.54Å; R130-I139 PolarHBondContact N-O 3.5Å; R130-I139 WeakPolarHBondContact O-CG1 3.37Å; R130-I139 PolarHBondContact O-N 2.88Å; R130-W150 HydrophobicContact CG-CH2 4.12Å; R130-W150 HydrophobicContact CG-CZ3 3.75Å
131Y98.4Very high97.8Very high141 Ų14150.2 Ų50.255%0.55325%0.247SC*.  trans-68.1139.5171.7174.3-107.6000113.5R105 P133R105-Y131 PolarHBondContact NH1-O 2.83Å; Y131-P133 HydrophobicContact CE1-CB 3.97Å
132D98.3Very high98Very high0 Ų046.4 Ų46.40%022%0.222CC..  trans-120117.5173.2-171.137.7000112.5R105 C134 R135 I139R105-D132 IonicContact NH1-OD1 3.44Å; R105-D132 PolarHBondContact NH1-OD1 2.85Å; D132-C134 PolarHBondContact O-N 2.76Å; D132-C134 VanDerWaalsContact O-N 3.16Å; D132-R135 HydrophobicContact CB-CG 3.98Å; D132-R135 PolarHBondContact O-N 3.23Å; D132-R135 WeakPolarHBondContact OD2-CD 3.44Å; D132-R135 WeakPolarHBondContact OD2-CG 3.46Å; D132-R135 IonicContact OD2-CZ 2.77Å; D132-R135 IonicContact OD2-NE 3.93Å; D132-R135 PolarHBondContact OD2-NE 2.9Å; D132-R135 IonicContact OD2-NH2 3.33Å; D132-I139 HydrophobicContact CB-CD1 3.98Å; D132-I139 HydrophobicContact CB-CG1 4.12Å; D132-I139 HydrophobicContact CB-CG2 3.86Å
133P97.8Very high98.1Very high36 Ų3645.9 Ų45.923%0.23422%0.224CC..THydrogen-bonded Turntrans-73.5-6.9-178.332.4-37.6000114Q102 R105 Y131Q102-P133 HydrophobicContact CG-CB 4.05Å; Q102-P133 HydrophobicContact CG-CG 4.28Å; Q102-P133 PolarHBondContact NE2-O 2.99Å; Q102-P133 VanDerWaalsContact NE2-O 3.13Å; R105-P133 VanDerWaalsContact NH1-CD 3.26Å; Y131-P133 HydrophobicContact CE1-CB 3.97Å
134C97.9Very high98Very high48 Ų4840.4 Ų40.432%0.32420%0.202SC..THydrogen-bonded Turntrans-91.7-9.3-178.1-66.90000113.5Y104 D132Y104-C134 HydrophobicContact CD2-CB 4.49Å; D132-C134 PolarHBondContact O-N 2.76Å; D132-C134 VanDerWaalsContact O-N 3.16Å
135R97.7Very high97.7Very high55 Ų5543.3 Ų43.321%0.20823%0.233CC..SBendtrans-146175.8-179.769.8-168.764.4-137.8-12.2110.3D132 A137D132-R135 HydrophobicContact CB-CG 3.98Å; D132-R135 PolarHBondContact O-N 3.23Å; D132-R135 WeakPolarHBondContact OD2-CD 3.44Å; D132-R135 WeakPolarHBondContact OD2-CG 3.46Å; D132-R135 IonicContact OD2-CZ 2.77Å; D132-R135 IonicContact OD2-NE 3.93Å; D132-R135 PolarHBondContact OD2-NE 2.9Å; D132-R135 IonicContact OD2-NH2 3.33Å; R135-A137 WeakPolarHBondContact CG-O 3.23Å
136S98.1Very high97.5Very high35 Ų3542.8 Ų42.825%0.24524%0.244CC..SBendtrans-86-35.3175.650.70000113.2A210 N249S136-A210 PolarHBondContact OG-N 2.77Å; S136-N249 PolarHBondContact O-ND2 3.02Å
137A98.3Very high97.4Very high0 Ų045.3 Ų45.30%025%0.254CS..SBendtrans-74.6154.6179.800000112.2R135 I152 A210 V247R135-A137 WeakPolarHBondContact CG-O 3.23Å; A137-I152 HydrophobicContact CB-CG2 4.35Å; A137-A210 HydrophobicContact CB-CB 4.44Å; A137-V247 HydrophobicContact CB-CG1 3.38Å
138D98.4Very high97.3Very high37 Ų3747.1 Ų47.120%0.19826%0.259CS..  trans-81.7161.2171.3-62.8-41000110.6V129 A153 S248V129-D138 HydrophobicContact CG1-CB 4.23Å; D138-A153 PolarHBondContact O-N 2.87Å; D138-S248 PolarHBondContact N-OG 3.14Å; D138-S248 PolarHBondContact O-OG 3.33Å
139I98.4Very high97.3Very high0 Ų042.8 Ų42.80%024%0.238CC..EExtended strand (participates in β ladder)trans-120.5145.8-177.364173.6000110.2R105 I107 V129 R130 D132 W150 I151R105-I139 HydrophobicContact CB-CD1 4.23Å; R105-I139 HydrophobicContact CG-CD1 4.46Å; I107-I139 HydrophobicContact CD1-CB 4.32Å; I107-I139 HydrophobicContact CD1-CD1 4.07Å; I107-I139 HydrophobicContact CD1-CG2 3.87Å; V129-I139 WeakPolarHBondContact CA-O 3.05Å; R130-I139 HydrophobicContact CG-CD1 3.98Å; R130-I139 HydrophobicContact CG-CG1 3.54Å; R130-I139 PolarHBondContact N-O 3.5Å; R130-I139 WeakPolarHBondContact O-CG1 3.37Å; R130-I139 PolarHBondContact O-N 2.88Å; D132-I139 HydrophobicContact CB-CD1 3.98Å; D132-I139 HydrophobicContact CB-CG1 4.12Å; D132-I139 HydrophobicContact CB-CG2 3.86Å; I139-W150 HydrophobicContact CB-CE3 4.29Å; I139-W150 HydrophobicContact CD1-CD2 3.94Å; I139-W150 HydrophobicContact CD1-CE3 3.57Å; I139-W150 HydrophobicContact CD1-CG 4.45Å; I139-W150 HydrophobicContact CD1-CZ3 4.06Å; I139-W150 HydrophobicContact CG1-CE3 3.81Å; I139-W150 HydrophobicContact CG1-CZ3 4.12Å; I139-I151 VanDerWaalsContact CA-O 3.29Å; I139-I151 WeakPolarHBondContact CA-O 3.15Å; I139-I151 WeakPolarHBondContact CB-O 3.44Å
140A98.4Very high97.3Very high0 Ų040.7 Ų40.70%023%0.225CC..EExtended strand (participates in β ladder)trans-110.2134.917600000110.2V126 Q128 V129 V142 W150 I151 A153 M157V126-A140 HydrophobicContact CG1-CB 4.27Å; Q128-A140 CarbonylContact O-C 3.56Å; Q128-A140 WeakPolarHBondContact O-CA 3.25Å; V129-A140 HydrophobicContact CG2-CB 4.26Å; A140-V142 HydrophobicContact CB-CG1 4.45Å; A140-W150 WeakPolarHBondContact O-CA 3.42Å; A140-I151 HydrophobicContact CB-CD1 4.48Å; A140-I151 HydrophobicContact CB-CG1 3.98Å; A140-I151 PolarHBondContact N-O 3.31Å; A140-I151 PolarHBondContact O-N 3Å; A140-A153 HydrophobicContact CB-CB 4.07Å; A140-M157 HydrophobicContact CB-SD 3.57Å; A140-M157 VanDerWaalsContact CB-SD 3.57Å
141L98.5Very high97.3Very high22 Ų2236.6 Ų36.612%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-83.9117.6165.1-172.758.4000107.5I74 I127 Q128 K148 W150I74-L141 HydrophobicContact CG2-CD1 4.44Å; I127-L141 HydrophobicContact CB-CB 4.37Å; I127-L141 HydrophobicContact CB-CD2 4.35Å; I127-L141 HydrophobicContact CB-CG 4.36Å; I127-L141 HydrophobicContact CD1-CD2 4.23Å; I127-L141 HydrophobicContact CD1-CG 4.26Å; I127-L141 HydrophobicContact CG2-CD2 4.37Å; I127-L141 PolarHBondContact N-O 3.29Å; Q128-L141 PolarHBondContact O-N 2.86Å; L141-K148 HydrophobicContact CD1-CB 4.31Å; L141-W150 HydrophobicContact CB-CE3 3.92Å; L141-W150 HydrophobicContact CB-CH2 3.57Å; L141-W150 HydrophobicContact CB-CZ2 4.3Å; L141-W150 HydrophobicContact CB-CZ3 3.41Å; L141-W150 VanDerWaalsContact CB-CZ3 3.41Å; L141-W150 HydrophobicContact CD1-CD2 4.07Å; L141-W150 HydrophobicContact CD1-CE3 4.29Å; L141-W150 HydrophobicContact CD1-CH2 4.09Å; L141-W150 HydrophobicContact CD1-CZ2 3.94Å; L141-W150 HydrophobicContact CD1-CZ3 4.33Å; L141-W150 HydrophobicContact CD2-CH2 4.14Å; L141-W150 HydrophobicContact CD2-CZ2 4.37Å; L141-W150 HydrophobicContact CG-CH2 4.14Å; L141-W150 HydrophobicContact CG-CZ2 4.44Å; L141-W150 HydrophobicContact CG-CZ3 4.35Å
142V98.2Very high97.3Very high0 Ų030.3 Ų30.30%019%0.185CC..EExtended strand (participates in β ladder)trans-114.7146.7175.5-640000110.3E124 K125 V126 A140 K148 R149 I151E124-V142 HydrophobicContact CB-CB 4.15Å; K125-V142 WeakPolarHBondContact O-CA 3.48Å; V126-V142 HydrophobicContact CG2-CG1 4Å; A140-V142 HydrophobicContact CB-CG1 4.45Å; V142-K148 WeakPolarHBondContact O-CA 3.31Å; V142-R149 HydrophobicContact CG2-CG 3.75Å; V142-R149 WeakPolarHBondContact CG2-O 3.45Å; V142-R149 PolarHBondContact N-O 3.24Å; V142-R149 PolarHBondContact O-N 2.65Å; V142-I151 HydrophobicContact CB-CD1 4.42Å; V142-I151 HydrophobicContact CG1-CD1 3.49Å; V142-I151 VanDerWaalsContact CG1-CD1 3.49Å; V142-I151 HydrophobicContact CG1-CG1 3.94Å; V142-I151 HydrophobicContact CG2-CD1 4.06Å; V142-I151 HydrophobicContact CG2-CG1 4.16Å; V142-I151 HydrophobicContact CG2-CG2 3.93Å
143A97.6Very high97.4Very high25 Ų2530.3 Ų30.321%0.20719%0.185CC..EExtended strand (participates in β ladder)trans-129.5133.6174.400000110.1E124 K125 I127 R147 K148E124-A143 CarbonylContact C-O 3.53Å; E124-A143 WeakPolarHBondContact CA-O 3.43Å; K125-A143 PolarHBondContact N-O 3.25Å; K125-A143 PolarHBondContact O-N 3.2Å; I127-A143 HydrophobicContact CD1-CB 3.54Å; I127-A143 HydrophobicContact CG1-CB 4.19Å; A143-R147 WeakPolarHBondContact CA-O 3.21Å; A143-K148 HydrophobicContact CB-CG 3.93Å
144G94.8Very high97.4Very high11 Ų1128.8 Ų28.811%0.11318%0.175CC..EExtended strand (participates in β ladder)trans-147141.6173.300000108.2E115 S146 R147E115-G144 VanDerWaalsContact OE1-O 3.07Å; G144-S146 PolarHBondContact O-N 3.1Å; G144-S146 VanDerWaalsContact O-N 3.15Å; G144-R147 PolarHBondContact N-O 3.14Å; G144-R147 PolarHBondContact O-N 3.39Å
145G91.9Very high97.4Very high64 Ų6429.9 Ų29.966%0.6618%0.176SC*.THydrogen-bonded Turntrans55.6-119.3-174.700000112
146S94Very high97.4Very high112 Ų11232.3 Ų32.378%0.78319%0.193SC*.THydrogen-bonded Turntrans-104.1-4.3-177.261.70000113.9E115 G144E115-S146 PolarHBondContact OE1-N 3.01Å; G144-S146 PolarHBondContact O-N 3.1Å; G144-S146 VanDerWaalsContact O-N 3.15Å
147R95.4Very high97.3Very high55 Ų5531.5 Ų31.521%0.20819%0.185CC..EExtended strand (participates in β ladder)trans-112.9160.2-174.176.3-172.3174.5-176.40.3113.8R113 P114 E115 F122 E124 A143 G144R113-R147 PolarHBondContact O-NH1 3.09Å; R113-R147 PolarHBondContact O-NH2 3.4Å; P114-R147 PolarHBondContact O-NH1 3.1Å; E115-R147 HydrophobicContact CG-CG 4.5Å; E115-R147 VanDerWaalsContact OE1-CG 3.31Å; E115-R147 WeakPolarHBondContact OE1-CG 3.41Å; E115-R147 IonicContact OE1-NE 2.99Å; F122-R147 VanDerWaalsContact CE2-NH2 3.35Å; E124-R147 IonicContact OE1-NH2 3.77Å; A143-R147 WeakPolarHBondContact CA-O 3.21Å; G144-R147 PolarHBondContact N-O 3.14Å; G144-R147 PolarHBondContact O-N 3.39Å
148K97.3Very high97.3Very high115 Ų11537.7 Ų37.750%0.521%0.214SC..EExtended strand (participates in β ladder)trans-127.7138.8172.3-56.9-174.6-177.8174.40109.7I74 I127 L141 V142 A143I74-K148 HydrophobicContact CG2-CB 4.2Å; I74-K148 VanDerWaalsContact CG2-O 3.28Å; I74-K148 WeakPolarHBondContact CG2-O 3.18Å; I127-K148 HydrophobicContact CD1-CD 4.26Å; L141-K148 HydrophobicContact CD1-CB 4.31Å; V142-K148 WeakPolarHBondContact O-CA 3.31Å; A143-K148 HydrophobicContact CB-CG 3.93Å
149R97.9Very high97.3Very high4 Ų439.1 Ų39.12%0.01523%0.231CC..EExtended strand (participates in β ladder)trans-145.9156.9177.559.5-176.2177.8157.96112.4Y72 D108 L110 R111 E124 V142 I151Y72-R149 HydrophobicContact CE1-CB 4.06Å; Y72-R149 VanDerWaalsContact OH-CA 3.3Å; Y72-R149 WeakPolarHBondContact OH-CA 3.42Å; D108-R149 HydrophobicContact CB-CB 4.38Å; D108-R149 VanDerWaalsContact OD2-CD 3.31Å; D108-R149 WeakPolarHBondContact OD2-CD 3.36Å; D108-R149 IonicContact OD2-CZ 3.59Å; D108-R149 IonicContact OD2-NE 3.96Å; D108-R149 IonicContact OD2-NH1 3.78Å; D108-R149 PolarHBondContact OD2-NH1 3.19Å; L110-R149 PolarHBondContact O-NH1 3.09Å; R111-R149 PolarHBondContact O-NH1 3.19Å; R111-R149 VanDerWaalsContact O-NH1 3.11Å; R111-R149 PolarHBondContact O-NH2 2.8Å; E124-R149 IonicContact OE1-CZ 3.11Å; E124-R149 IonicContact OE1-NE 3.2Å; E124-R149 PolarHBondContact OE1-NE 2.94Å; E124-R149 IonicContact OE1-NH2 3.66Å; E124-R149 PolarHBondContact OE1-NH2 3.12Å; E124-R149 IonicContact OE2-CZ 2.81Å; E124-R149 IonicContact OE2-NE 3.77Å; E124-R149 IonicContact OE2-NH2 3.91Å; E124-R149 PolarHBondContact OE2-NH2 2.95Å; V142-R149 HydrophobicContact CG2-CG 3.75Å; V142-R149 WeakPolarHBondContact CG2-O 3.45Å; V142-R149 PolarHBondContact N-O 3.24Å; V142-R149 PolarHBondContact O-N 2.65Å; R149-I151 HydrophobicContact CG-CG2 4.43Å
150W98.4Very high97.2Very high8 Ų840.9 Ų40.93%0.0325%0.249CC..EExtended strand (participates in β ladder)trans-93.9132.4173.3-66.4107.2000108.9Y72 I74 M106 I107 D108 R130 I139 A140 L141Y72-W150 PolarHBondContact OH-N 3.49Å; I74-W150 PolarHBondContact O-NE1 3.29Å; M106-W150 WeakPolarHBondContact O-CB 3.37Å; I107-W150 WeakPolarHBondContact CA-O 3.41Å; I107-W150 HydrophobicContact CD1-CB 3.34Å; I107-W150 HydrophobicContact CD1-CG 4.11Å; I107-W150 WeakPolarHBondContact CG2-O 3.4Å; D108-W150 PolarHBondContact N-O 2.96Å; R130-W150 HydrophobicContact CG-CH2 4.12Å; R130-W150 HydrophobicContact CG-CZ3 3.75Å; I139-W150 HydrophobicContact CB-CE3 4.29Å; I139-W150 HydrophobicContact CD1-CD2 3.94Å; I139-W150 HydrophobicContact CD1-CE3 3.57Å; I139-W150 HydrophobicContact CD1-CG 4.45Å; I139-W150 HydrophobicContact CD1-CZ3 4.06Å; I139-W150 HydrophobicContact CG1-CE3 3.81Å; I139-W150 HydrophobicContact CG1-CZ3 4.12Å; A140-W150 WeakPolarHBondContact O-CA 3.42Å; L141-W150 HydrophobicContact CB-CE3 3.92Å; L141-W150 HydrophobicContact CB-CH2 3.57Å; L141-W150 HydrophobicContact CB-CZ2 4.3Å; L141-W150 HydrophobicContact CB-CZ3 3.41Å; L141-W150 VanDerWaalsContact CB-CZ3 3.41Å; L141-W150 HydrophobicContact CD1-CD2 4.07Å; L141-W150 HydrophobicContact CD1-CE3 4.29Å; L141-W150 HydrophobicContact CD1-CH2 4.09Å; L141-W150 HydrophobicContact CD1-CZ2 3.94Å; L141-W150 HydrophobicContact CD1-CZ3 4.33Å; L141-W150 HydrophobicContact CD2-CH2 4.14Å; L141-W150 HydrophobicContact CD2-CZ2 4.37Å; L141-W150 HydrophobicContact CG-CH2 4.14Å; L141-W150 HydrophobicContact CG-CZ2 4.44Å; L141-W150 HydrophobicContact CG-CZ3 4.35Å
151I98.3Very high97.2Very high1 Ų143.7 Ų43.71%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-124.7168.8173.663.7172000109.4I139 A140 V142 R149I139-I151 VanDerWaalsContact CA-O 3.29Å; I139-I151 WeakPolarHBondContact CA-O 3.15Å; I139-I151 WeakPolarHBondContact CB-O 3.44Å; A140-I151 HydrophobicContact CB-CD1 4.48Å; A140-I151 HydrophobicContact CB-CG1 3.98Å; A140-I151 PolarHBondContact N-O 3.31Å; A140-I151 PolarHBondContact O-N 3Å; V142-I151 HydrophobicContact CB-CD1 4.42Å; V142-I151 HydrophobicContact CG1-CD1 3.49Å; V142-I151 VanDerWaalsContact CG1-CD1 3.49Å; V142-I151 HydrophobicContact CG1-CG1 3.94Å; V142-I151 HydrophobicContact CG2-CD1 4.06Å; V142-I151 HydrophobicContact CG2-CG1 4.16Å; V142-I151 HydrophobicContact CG2-CG2 3.93Å; R149-I151 HydrophobicContact CG-CG2 4.43Å
152I98.4Very high97.1Very high8 Ų846 Ų464%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-72.7131.8167.9-72.6171.7000108.3F109 A137 N195 R208 V247F109-I152 HydrophobicContact CD1-CD1 4.19Å; F109-I152 HydrophobicContact CE1-CD1 3.67Å; F109-I152 HydrophobicContact CE1-CG1 4.35Å; A137-I152 HydrophobicContact CB-CG2 4.35Å; I152-N195 VanDerWaalsContact CD1-OD1 3.23Å; I152-N195 WeakPolarHBondContact CD1-OD1 3.41Å; I152-R208 HydrophobicContact CD1-CB 3.84Å; I152-R208 HydrophobicContact CD1-CG 4.19Å; I152-V247 HydrophobicContact CG2-CG1 3.73Å; I152-V247 HydrophobicContact CG2-CG2 4.5Å
153A98.5Very high97Very high1 Ų146.2 Ų46.21%0.00828%0.281CS..  trans-78.4141175.300000110.9V129 D138 A140 M157 S248V129-A153 HydrophobicContact CG1-CB 3.99Å; D138-A153 PolarHBondContact O-N 2.87Å; A140-A153 HydrophobicContact CB-CB 4.07Å; A153-M157 HydrophobicContact CB-SD 4.32Å; A153-S248 VanDerWaalsContact O-CB 3.28Å; A153-S248 WeakPolarHBondContact O-CB 3.4Å; A153-S248 PolarHBondContact O-N 3.28Å; A153-S248 PolarHBondContact O-OG 3.42Å
154T98.4Very high97Very high4 Ų447.5 Ų47.53%0.02528%0.284CS..BIsolated β-bridgetrans-82.2174.7169.7540000111.1M157 E178 T243 R246 S248T154-M157 HydrophobicContact CG2-CE 4.25Å; T154-M157 WeakPolarHBondContact OG1-CE 3.4Å; T154-E178 WeakPolarHBondContact CB-OE1 3.43Å; T154-E178 HydrophobicContact CG2-CG 4.21Å; T154-E178 WeakPolarHBondContact OG1-CG 3.41Å; T154-T243 HydrophobicContact CG2-CG2 4.03Å; T154-R246 CarbonylContact C-O 3.59Å; T154-R246 WeakPolarHBondContact CA-O 3.14Å; T154-R246 WeakPolarHBondContact CB-O 3.31Å; T154-S248 WeakPolarHBondContact O-CB 3.34Å
155E97.8Very high97.1Very high71 Ų7147 Ų4733%0.33228%0.278SS..THydrogen-bonded Turntrans-61-51.7-169.4-176.7171.2179.100112.4E178 R246 V250E155-E178 VanDerWaalsContact CB-OE1 3.31Å; E155-E178 WeakPolarHBondContact CB-OE1 3.43Å; E155-E178 PolarHBondContact N-OE1 3.31Å; E155-R246 HydrophobicContact CB-CB 4.26Å; E155-R246 PolarHBondContact N-O 2.99Å; E155-R246 IonicContact OE1-NH1 2.86Å; E155-R246 PolarHBondContact OE1-NH1 3.01Å; E155-R246 WeakPolarHBondContact OE2-CB 3.29Å; E155-R246 VanDerWaalsContact OE2-CD 3.25Å; E155-R246 WeakPolarHBondContact OE2-CD 3.36Å; E155-R246 IonicContact OE2-CZ 3.38Å; E155-R246 IonicContact OE2-NE 2.87Å; E155-R246 IonicContact OE2-NH1 3.49Å; E155-R246 PolarHBondContact OE2-NH1 3.43Å; E155-V250 VanDerWaalsContact CD-CG2 3.44Å; E155-V250 HydrophobicContact CG-CG2 3.8Å; E155-V250 WeakPolarHBondContact OE1-CG2 3.47Å
156N97.5Very high97.4Very high106 Ų10644.5 Ų44.557%0.56725%0.251SS*.THydrogen-bonded Turntrans-100.920.9-175.4-57.3-60.8000113.9Q158 E178N156-Q158 PolarHBondContact O-N 3.38Å; N156-E178 WeakPolarHBondContact CB-OE2 3.21Å; N156-E178 PolarHBondContact N-OE2 3.05Å; N156-E178 PolarHBondContact ND2-OE2 2.98Å
157M97.4Very high97.4Very high17 Ų1742.9 Ų42.98%0.08423%0.234CC..  trans-73.3126.6-178.4-170170.7-72.900111.4V126 V129 A140 A153 T154 V163V126-M157 HydrophobicContact CG1-CG 4.22Å; V126-M157 HydrophobicContact CG1-SD 4.44Å; V126-M157 HydrophobicContact CG2-CG 3.93Å; V126-M157 HydrophobicContact CG2-SD 3.89Å; V129-M157 HydrophobicContact CG2-CG 4.33Å; A140-M157 HydrophobicContact CB-SD 3.57Å; A140-M157 VanDerWaalsContact CB-SD 3.57Å; A153-M157 HydrophobicContact CB-SD 4.32Å; T154-M157 HydrophobicContact CG2-CE 4.25Å; T154-M157 WeakPolarHBondContact OG1-CE 3.4Å; M157-V163 HydrophobicContact CE-CG1 3.97Å
158Q97.3Very high97.4Very high130 Ų13046.1 Ų46.161%0.60725%0.251SS*.  trans-118.9164.4179.8-58.8-172.120.800112V126 N156 D161V126-Q158 WeakPolarHBondContact CB-O 3.29Å; V126-Q158 WeakPolarHBondContact CG1-O 3.28Å; N156-Q158 PolarHBondContact O-N 3.38Å; Q158-D161 PolarHBondContact N-OD2 3.47Å
159A97.6Very high97.4Very high67 Ų6743.4 Ų43.455%0.55424%0.241SC*.THydrogen-bonded Turntrans-72.1128172.900000109.7I127I127-A159 WeakPolarHBondContact O-CB 3.42Å
160G97.2Very high97.1Very high37 Ų3744.3 Ų44.338%0.38125%0.252SS..THydrogen-bonded Turntrans109.3-20.8-17600000113.8K125 V126K125-G160 WeakPolarHBondContact CE-O 3.48Å; V126-G160 PolarHBondContact O-N 2.87Å
161D97.8Very high96.9Very high60 Ų6055.9 Ų55.932%0.32130%0.296SS..  trans-63144.6-178.1-66.9-12.6000112.3K125 V126 Q158K125-D161 CarbonylContact C-O 3.56Å; K125-D161 WeakPolarHBondContact CA-O 3.42Å; V126-D161 HydrophobicContact CB-CB 4.37Å; V126-D161 HydrophobicContact CG2-CB 4.09Å; V126-D161 WeakPolarHBondContact CG2-O 3.28Å; V126-D161 PolarHBondContact N-O 3.39Å; Q158-D161 PolarHBondContact N-OD2 3.47Å
162T97.1Very high96.8Very high70 Ų7063.1 Ų63.143%0.42933%0.332SS..EExtended strand (participates in β ladder)trans-100.6125171.2-550000109.1E123 E124E123-T162 HydrophobicContact CB-CG2 3.9Å; E123-T162 HydrophobicContact CG-CG2 4.3Å; E124-T162 CarbonylContact O-C 3.49Å; E124-T162 WeakPolarHBondContact O-CA 3.48Å
163V97.1Very high96.6Very high4 Ų465.7 Ų65.72%0.02435%0.354CS..EExtended strand (participates in β ladder)trans-109.4135.2176.7-63.90000110.5E123 E124 V126 M157E123-V163 WeakPolarHBondContact CA-O 3.43Å; E124-V163 HydrophobicContact CB-CG2 3.89Å; E124-V163 PolarHBondContact N-O 3.03Å; E124-V163 WeakPolarHBondContact O-CG2 3.35Å; E124-V163 PolarHBondContact O-N 3.02Å; V126-V163 HydrophobicContact CG2-CG1 4.14Å; M157-V163 HydrophobicContact CE-CG1 3.97Å
164L97.3Very high96.4Very high52 Ų5268.4 Ų68.427%0.27237%0.37SS..EExtended strand (participates in β ladder)trans-93.7135.6178.2-178.962.8000110.7E123 D180 A181E123-L164 HydrophobicContact CG-CD1 3.78Å; L164-D180 HydrophobicContact CB-CB 4.5Å; L164-D180 PolarHBondContact N-OD1 3.03Å; L164-D180 WeakPolarHBondContact O-CA 3.14Å; L164-A181 PolarHBondContact O-N 2.95Å
165N97.2Very high96.2Very high0 Ų072.9 Ų72.90%041%0.408CS..EExtended strand (participates in β ladder)trans-119.4113.9168.8-54.4-81.7000108.7R111 F112 P121 F122 E124R111-N165 PolarHBondContact NH1-OD1 2.97Å; R111-N165 PolarHBondContact NH2-OD1 2.84Å; F112-N165 HydrophobicContact CD2-CB 4.48Å; P121-N165 WeakPolarHBondContact CA-O 3.38Å; F122-N165 HydrophobicContact CD2-CB 4.28Å; F122-N165 HydrophobicContact CE1-CB 4.16Å; F122-N165 HydrophobicContact CE2-CB 3.87Å; F122-N165 VanDerWaalsContact CE2-ND2 3.28Å; F122-N165 WeakPolarHBondContact CE2-ND2 3.03Å; F122-N165 HydrophobicContact CZ-CB 3.79Å; F122-N165 PolarHBondContact N-O 2.82Å; F122-N165 PolarHBondContact O-N 2.96Å; E124-N165 PolarHBondContact OE2-ND2 2.77Å; E124-N165 VanDerWaalsContact OE2-ND2 3.08Å
166S96.4Very high96Very high13 Ų1370.7 Ų70.79%0.09140%0.401CS..  trans-127.8152.2175.789.20000111.9A181 H182 P183S166-A181 PolarHBondContact N-O 2.65Å; S166-H182 PolarHBondContact OG-CE1 3.07Å; S166-H182 PolarHBondContact OG-ND1 2.81Å; S166-P183 WeakPolarHBondContact O-CD 3.48Å
167N95.6Very high95.9Very high77 Ų7774 Ų7441%0.41241%0.406SS..  trans-113.41.8171.266.2-22.3000112.5F112 P183F112-N167 HydrophobicContact CD1-CB 3.7Å; F112-N167 HydrophobicContact CD2-CB 3.94Å; F112-N167 HydrophobicContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CB 3.49Å; F112-N167 VanDerWaalsContact CE1-CG 3.43Å; F112-N167 VanDerWaalsContact CE1-ND2 3.29Å; F112-N167 WeakPolarHBondContact CE1-ND2 3.31Å; F112-N167 HydrophobicContact CE2-CB 3.74Å; F112-N167 HydrophobicContact CG-CB 3.92Å; F112-N167 HydrophobicContact CZ-CB 3.52Å; F112-N167 VanDerWaalsContact CZ-ND2 3.28Å; F112-N167 WeakPolarHBondContact CZ-ND2 3.44Å; F112-N167 WeakPolarHBondContact CZ-OD1 3.24Å; N167-P183 WeakPolarHBondContact O-CG 3.31Å
168H95.3Very high95.9Very high124 Ų12476 Ų7657%0.57442%0.415SS*.  trans-77.7130.8-176.9-178.963.5000110.5
169I96.1Very high95.8Very high57 Ų5769.9 Ų69.929%0.29239%0.386SS..  trans-103.499.1173.6-55.8179.8000107.2P183 E238 T239I169-P183 HydrophobicContact CD1-CB 4.02Å; I169-P183 HydrophobicContact CD1-CG 4.5Å; I169-P183 HydrophobicContact CG1-CB 3.78Å; I169-P183 HydrophobicContact CG1-CG 3.85Å; I169-E238 HydrophobicContact CD1-CG 4.07Å; I169-T239 HydrophobicContact CD1-CG2 3.96Å
170G93.3Very high95.8Very high24 Ų2467.3 Ų67.325%0.24736%0.364CS..  trans-75160.3175.700000112.1M172G170-M172 VanDerWaalsContact C-N 3.26Å; G170-M172 PolarHBondContact O-N 2.85Å
171R93.8Very high95.9Very high251 Ų25165.6 Ų65.695%0.94735%0.345SS*.SBendtrans-63.5-34.2173.9-172.9176.7-174.7-88.50.6112.1
172M95.4Very high95.9Very high153 Ų15362.9 Ų62.975%0.75433%0.331SS*.SBendtrans-101.9148176.3-64.1178.171.500110.2G170G170-M172 VanDerWaalsContact C-N 3.26Å; G170-M172 PolarHBondContact O-N 2.85Å
173A94.1Very high95.9Very high61 Ų6159.6 Ų59.650%0.50431%0.311SS..PPolyproline II helixtrans-69.4143.717700000111.2A186 P188A173-A186 WeakPolarHBondContact CA-O 3.32Å; A173-P188 HydrophobicContact CB-CB 4.14Å; A173-P188 HydrophobicContact CB-CG 4.46Å
174V95.8Very high96Very high59 Ų5959.4 Ų59.436%0.35831%0.31SS..PPolyproline II helixtrans-90.9133.5179.1-179.30000110.1A176 A186 P188V174-A176 VanDerWaalsContact C-N 3.28Å; V174-A176 PolarHBondContact O-N 2.75Å; V174-A186 PolarHBondContact N-O 3.02Å; V174-P188 VanDerWaalsContact O-CD 3.22Å; V174-P188 WeakPolarHBondContact O-CD 3.42Å
175A93.4Very high96Very high98 Ų9857.4 Ų57.481%0.8130%0.302SS*.  trans-74.782.4167.900000109.8
176A92.9Very high96Very high24 Ų2457.4 Ų57.420%0.19830%0.302CS..PPolyproline II helixtrans-76.5139.5-174.500000112.6V174 L187 V244V174-A176 VanDerWaalsContact C-N 3.28Å; V174-A176 PolarHBondContact O-N 2.75Å; A176-L187 HydrophobicContact CB-CD2 3.71Å; A176-V244 HydrophobicContact CB-CB 4.26Å; A176-V244 HydrophobicContact CB-CG1 4.27Å; A176-V244 HydrophobicContact CB-CG2 3.68Å
177R96.1Very high96Very high175 Ų17556.8 Ų56.866%0.6630%0.297SS*.PPolyproline II helixtrans-86.9161.9174.4-59.4172.563.7-168.5-2.1110.1G179 D180R177-G179 PolarHBondContact O-N 3.11Å; R177-D180 WeakPolarHBondContact CB-OD2 3.39Å; R177-D180 PolarHBondContact N-OD2 2.86Å; R177-D180 WeakPolarHBondContact O-CB 3.39Å; R177-D180 PolarHBondContact O-N 2.81Å
178E97.1Very high96.1Very high61 Ų6155.4 Ų55.429%0.28529%0.292SS..THydrogen-bonded Turntrans-63.4132.2173.8176.4163-149.100110.8T154 E155 N156 R246T154-E178 WeakPolarHBondContact CB-OE1 3.43Å; T154-E178 HydrophobicContact CG2-CG 4.21Å; T154-E178 WeakPolarHBondContact OG1-CG 3.41Å; E155-E178 VanDerWaalsContact CB-OE1 3.31Å; E155-E178 WeakPolarHBondContact CB-OE1 3.43Å; E155-E178 PolarHBondContact N-OE1 3.31Å; N156-E178 WeakPolarHBondContact CB-OE2 3.21Å; N156-E178 PolarHBondContact N-OE2 3.05Å; N156-E178 PolarHBondContact ND2-OE2 2.98Å; E178-R246 PolarHBondContact OE1-N 3.26Å
179G96.1Very high96.3Very high0 Ų053.7 Ų53.70%029%0.291CS..THydrogen-bonded Turntrans96.6-20-176.300000114.3R111 R177 V244R111-G179 PolarHBondContact NH2-O 2.86Å; R177-G179 PolarHBondContact O-N 3.11Å; G179-V244 PolarHBondContact N-O 3.03Å
180D97.8Very high96.3Very high14 Ų1453.2 Ų53.28%0.07530%0.3CS..  trans-69.1145.5174.7-65.7-21.6000110.9L164 R177 T243 V244L164-D180 HydrophobicContact CB-CB 4.5Å; L164-D180 PolarHBondContact N-OD1 3.03Å; L164-D180 WeakPolarHBondContact O-CA 3.14Å; R177-D180 WeakPolarHBondContact CB-OD2 3.39Å; R177-D180 PolarHBondContact N-OD2 2.86Å; R177-D180 WeakPolarHBondContact O-CB 3.39Å; R177-D180 PolarHBondContact O-N 2.81Å; D180-T243 WeakPolarHBondContact O-CA 3.41Å; D180-V244 PolarHBondContact O-N 2.97Å
181A97.9Very high96.5Very high0 Ų053.2 Ų53.20%030%0.295CS..EExtended strand (participates in β ladder)trans-117.7120.917800000110.4R111 L164 S166 V241 A242R111-A181 HydrophobicContact CB-CB 3.67Å; R111-A181 HydrophobicContact CG-CB 4.12Å; L164-A181 PolarHBondContact O-N 2.95Å; S166-A181 PolarHBondContact N-O 2.65Å; A181-V241 HydrophobicContact CB-CG1 4.09Å; A181-A242 WeakPolarHBondContact CA-O 3.31Å
182H97.9Very high96.7Very high3 Ų344.9 Ų44.91%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-135.7158.9-178.6-65.3-64.5000110.6S166 A186 L187 A242S166-H182 PolarHBondContact OG-CE1 3.07Å; S166-H182 PolarHBondContact OG-ND1 2.81Å; H182-A186 HydrophobicContact CB-CB 4.46Å; H182-L187 HydrophobicContact CB-CD2 3.94Å; H182-L187 HydrophobicContact CB-CG 4.19Å; H182-A242 PolarHBondContact N-O 3.18Å; H182-A242 PolarHBondContact O-N 3.38Å; H182-A242 VanDerWaalsContact O-O 3.09Å
183P97.9Very high96.9Very high2 Ų237.6 Ų37.61%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-64.1149.3167-15.631000110.7S166 N167 I169 G185 A186 E238 C240S166-P183 WeakPolarHBondContact O-CD 3.48Å; N167-P183 WeakPolarHBondContact O-CG 3.31Å; I169-P183 HydrophobicContact CD1-CB 4.02Å; I169-P183 HydrophobicContact CD1-CG 4.5Å; I169-P183 HydrophobicContact CG1-CB 3.78Å; I169-P183 HydrophobicContact CG1-CG 3.85Å; P183-G185 PolarHBondContact O-N 3.32Å; P183-G185 VanDerWaalsContact O-N 3.17Å; P183-A186 PolarHBondContact O-N 2.92Å; P183-E238 WeakPolarHBondContact CB-O 3.42Å; P183-C240 WeakPolarHBondContact CA-O 3.44Å
184L97.7Very high97.1Very high0 Ų034.7 Ų34.70%021%0.209CC..G310 helixtrans-58.5-30.3177-67.3173.2000112.5A186 L187 I193 K219 A224 I226 V236 E238 C240 A242L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 2.94Å; L184-L187 HydrophobicContact CD2-CD1 4.49Å; L184-L187 PolarHBondContact O-N 2.84Å; L184-I193 HydrophobicContact CD2-CD1 3.7Å; L184-K219 WeakPolarHBondContact O-CE 3.49Å; L184-K219 PolarHBondContact O-NZ 3.43Å; L184-A224 HydrophobicContact CB-CB 3.7Å; L184-A224 HydrophobicContact CD1-CB 3.82Å; L184-A224 HydrophobicContact CG-CB 4.36Å; L184-I226 HydrophobicContact CD1-CG2 4.19Å; L184-I226 HydrophobicContact CD2-CG2 4.42Å; L184-V236 HydrophobicContact CD1-CG2 3.3Å; L184-E238 PolarHBondContact N-O 2.98Å; L184-E238 VanDerWaalsContact N-O 3.12Å; L184-C240 HydrophobicContact CD1-CB 4.2Å; L184-C240 PolarHBondContact N-O 3.02Å; L184-A242 HydrophobicContact CD2-CB 3.66Å; L184-A242 HydrophobicContact CG-CB 4.33Å
185G97.3Very high97.2Very high10 Ų1032.5 Ų32.510%0.10320%0.195CC..G310 helixtrans-62.4-28.8174.900000114P183 K219 E238P183-G185 PolarHBondContact O-N 3.32Å; P183-G185 VanDerWaalsContact O-N 3.17Å; G185-K219 PolarHBondContact O-NZ 2.77Å; G185-E238 PolarHBondContact N-O 2.82Å
186A97.7Very high97.4Very high0 Ų027.8 Ų27.80%016%0.157CC..G310 helixtrans-87.3-17.2-178.700000113.7A173 V174 H182 P183 L184A173-A186 WeakPolarHBondContact CA-O 3.32Å; V174-A186 PolarHBondContact N-O 3.02Å; H182-A186 HydrophobicContact CB-CB 4.46Å; P183-A186 PolarHBondContact O-N 2.92Å; L184-A186 VanDerWaalsContact C-N 3.27Å; L184-A186 PolarHBondContact O-N 2.94Å
187L97.8Very high97.6Very high0 Ų026.8 Ų26.80%015%0.148CC..SBendtrans-86143.9-173.7-66.7176.8000112.8A176 H182 L184 I193 L216 K219 V244A176-L187 HydrophobicContact CB-CD2 3.71Å; H182-L187 HydrophobicContact CB-CD2 3.94Å; H182-L187 HydrophobicContact CB-CG 4.19Å; L184-L187 HydrophobicContact CD2-CD1 4.49Å; L184-L187 PolarHBondContact O-N 2.84Å; L187-I193 HydrophobicContact CD1-CG2 3.78Å; L187-L216 HydrophobicContact CB-CD2 4.05Å; L187-K219 VanDerWaalsContact O-CE 3.23Å; L187-K219 WeakPolarHBondContact O-CE 3.43Å; L187-K219 PolarHBondContact O-NZ 2.84Å; L187-V244 HydrophobicContact CD1-CG2 3.91Å; L187-V244 HydrophobicContact CD2-CG2 3.52Å; L187-V244 HydrophobicContact CG-CG2 4.39Å
188P97.8Very high97.6Very high47 Ų4718.8 Ų18.831%0.30512%0.119SC..PPolyproline II helixtrans-65.8152.1172.117-21000111.8A173 V174 T191A173-P188 HydrophobicContact CB-CB 4.14Å; A173-P188 HydrophobicContact CB-CG 4.46Å; V174-P188 VanDerWaalsContact O-CD 3.22Å; V174-P188 WeakPolarHBondContact O-CD 3.42Å; P188-T191 HydrophobicContact CB-CG2 4.24Å; P188-T191 HydrophobicContact CG-CG2 3.51Å; P188-T191 WeakPolarHBondContact O-CB 3.38Å; P188-T191 WeakPolarHBondContact O-CG2 3.45Å; P188-T191 PolarHBondContact O-N 2.88Å; P188-T191 PolarHBondContact O-OG1 3.23Å
189V97.6Very high97.6Very high89 Ų8920.1 Ų20.154%0.53913%0.125SC..THydrogen-bonded Turntrans-64.3143.3173.6174.50000109.6T191 L217V189-T191 VanDerWaalsContact C-N 3.32Å; V189-L217 WeakPolarHBondContact CG1-O 3.3Å
190G97.2Very high97.6Very high47 Ų4722.9 Ų22.949%0.48514%0.143SC..THydrogen-bonded Turntrans86.2-3-176.600000114.4L216G190-L216 WeakPolarHBondContact CA-O 3.31Å; G190-L216 PolarHBondContact N-O 3.2Å
191T97.9Very high97.5Very high24 Ų2424.7 Ų24.715%0.14717%0.165CC..  trans-63.7139.3176.644.80000112.5P188 V189 V215 L216P188-T191 HydrophobicContact CB-CG2 4.24Å; P188-T191 HydrophobicContact CG-CG2 3.51Å; P188-T191 WeakPolarHBondContact O-CB 3.38Å; P188-T191 WeakPolarHBondContact O-CG2 3.45Å; P188-T191 PolarHBondContact O-N 2.88Å; P188-T191 PolarHBondContact O-OG1 3.23Å; V189-T191 VanDerWaalsContact C-N 3.32Å; T191-V215 WeakPolarHBondContact O-CA 3.31Å; T191-L216 PolarHBondContact O-N 2.95Å; T191-L216 VanDerWaalsContact O-N 3.11Å
192L98.4Very high97.4Very high76 Ų7632.7 Ų32.740%0.39820%0.195SC..EExtended strand (participates in β ladder)trans-79.1126.7170.7-61-176.4000109.4G214 V215 G245 R246L192-G214 WeakPolarHBondContact CA-O 3.29Å; L192-V215 HydrophobicContact CD2-CG2 3.84Å; L192-G245 PolarHBondContact O-N 3.05Å; L192-R246 HydrophobicContact CD1-CG 4.17Å
193I98.3Very high97.3Very high0 Ų032.9 Ų32.90%020%0.198CC..EExtended strand (participates in β ladder)trans-130.9154-176.759.1173.5000111.7L184 L187 V196 G214 I226 A242 T243 G245L184-I193 HydrophobicContact CD2-CD1 3.7Å; L187-I193 HydrophobicContact CD1-CG2 3.78Å; I193-V196 HydrophobicContact CD1-CG2 3.81Å; I193-V196 HydrophobicContact CG1-CG2 4.2Å; I193-G214 PolarHBondContact N-O 2.77Å; I193-G214 PolarHBondContact O-N 2.95Å; I193-I226 HydrophobicContact CD1-CB 4.38Å; I193-I226 HydrophobicContact CD1-CG2 3.84Å; I193-A242 HydrophobicContact CB-CB 4.3Å; I193-A242 HydrophobicContact CD1-CB 4.46Å; I193-A242 HydrophobicContact CG2-CB 4.42Å; I193-T243 CarbonylContact C-O 3.52Å; I193-T243 WeakPolarHBondContact CA-O 3.4Å; I193-G245 CarbonylContact C-O 3.6Å
194N98.4Very high97.3Very high0 Ų032.9 Ų32.90%020%0.198CC..EExtended strand (participates in β ladder)trans-139.8174.717168.655.9000110.9V196 I207 T243 G245 R246 V247N194-V196 PolarHBondContact O-N 2.67Å; N194-I207 HydrophobicContact CB-CG2 3.96Å; N194-T243 PolarHBondContact N-O 3.49Å; N194-T243 PolarHBondContact O-N 3.26Å; N194-T243 WeakPolarHBondContact OD1-CB 3.25Å; N194-G245 VanDerWaalsContact ND2-C 3.35Å; N194-G245 PolarHBondContact ND2-O 3.42Å; N194-R246 PolarHBondContact ND2-O 3.08Å; N194-V247 HydrophobicContact CB-CG2 3.7Å
195N98.1Very high97.2Very high12 Ų1236.6 Ų36.66%0.06422%0.216CC..SBendtrans5252.7178-66.2-42000113.5I152 A204 Y206 I207 R208I152-N195 VanDerWaalsContact CD1-OD1 3.23Å; I152-N195 WeakPolarHBondContact CD1-OD1 3.41Å; N195-A204 VanDerWaalsContact C-CB 3.48Å; N195-A204 HydrophobicContact CB-CB 3.64Å; N195-A204 WeakPolarHBondContact O-CB 3.36Å; N195-Y206 WeakPolarHBondContact CA-O 3.5Å; N195-I207 PolarHBondContact N-O 3.32Å; N195-R208 WeakPolarHBondContact OD1-CG 3.39Å
196V97.8Very high97.3Very high0 Ų039.2 Ų39.20%022%0.223CC..EExtended strand (participates in β ladder)trans-82.9138.8-175-173.60000111.6I193 N194 Q205 Y206 I207 I226 M234 A242I193-V196 HydrophobicContact CD1-CG2 3.81Å; I193-V196 HydrophobicContact CG1-CG2 4.2Å; N194-V196 PolarHBondContact O-N 2.67Å; V196-Q205 PolarHBondContact O-N 3.24Å; V196-Y206 PolarHBondContact N-O 3.08Å; V196-Y206 PolarHBondContact O-N 2.69Å; V196-I207 HydrophobicContact CG2-CD1 4.02Å; V196-I226 HydrophobicContact CB-CD1 4.19Å; V196-I226 HydrophobicContact CG1-CD1 3.68Å; V196-I226 HydrophobicContact CG2-CD1 4.2Å; V196-M234 HydrophobicContact CG1-CE 4.37Å; V196-A242 HydrophobicContact CG2-CB 4.2Å
197E97.1Very high97.3Very high3 Ų339.9 Ų39.91%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-84.7144.7173.5-55.9-170.915900111.8L110 G201 G203 C240 V241L110-E197 WeakPolarHBondContact CD1-OE1 3.28Å; E197-G201 PolarHBondContact OE2-N 3.32Å; E197-G203 WeakPolarHBondContact OE1-CA 3.41Å; E197-C240 HydrophobicContact CB-CB 4.29Å; E197-V241 WeakPolarHBondContact CG-O 3.15Å
198S95.9Very high97.3Very high7 Ų744.5 Ų44.55%0.04924%0.243CC..SBendtrans-75.9-43.1174.7-52.60000111.6Q205 Y206S198-Q205 PolarHBondContact OG-OE1 3.04Å; S198-Y206 WeakPolarHBondContact OG-CE2 3.49Å
199E96.4Very high97.4Very high88 Ų8844.3 Ų44.341%0.41125%0.246SC..SBendtrans-136.9151.5-179.4-66.5175.1172.700107.6G201 R202 C240E199-G201 PolarHBondContact O-N 3.18Å; E199-R202 HydrophobicContact CB-CB 4.27Å; E199-R202 VanDerWaalsContact O-CB 3.23Å; E199-R202 WeakPolarHBondContact O-CB 3.44Å; E199-R202 PolarHBondContact O-N 3.21Å; E199-R202 VanDerWaalsContact O-N 3.08Å; E199-C240 VanDerWaalsContact C-SG 3.57Å
200P96.7Very high97.4Very high59 Ų5940.9 Ų40.938%0.38323%0.227SC..THydrogen-bonded Turntrans-57.5126.4-176.8-24.234.6000111.6R202 L237 T239 C240P200-R202 PolarHBondContact O-N 3.48Å; P200-L237 HydrophobicContact CG-CB 4.24Å; P200-L237 HydrophobicContact CG-CD1 3.91Å; P200-T239 WeakPolarHBondContact CG-OG1 3.36Å; P200-C240 VanDerWaalsContact CD-SG 3.6Å
201G94.9Very high97.4Very high52 Ų5239.4 Ų39.454%0.53621%0.212SC..THydrogen-bonded Turntrans80.1-1.3177.500000114.8E197 E199 G203E197-G201 PolarHBondContact OE2-N 3.32Å; E199-G201 PolarHBondContact O-N 3.18Å; G201-G203 PolarHBondContact O-N 3.19Å
202R96.3Very high97.4Very high167 Ų16739.8 Ų39.863%0.6321%0.214SC*.SBendtrans-70.4-18.1175.5-168.859174.51790112.6E199 P200E199-R202 HydrophobicContact CB-CB 4.27Å; E199-R202 VanDerWaalsContact O-CB 3.23Å; E199-R202 WeakPolarHBondContact O-CB 3.44Å; E199-R202 PolarHBondContact O-N 3.21Å; E199-R202 VanDerWaalsContact O-N 3.08Å; P200-R202 PolarHBondContact O-N 3.48Å
203G95.9Very high97.4Very high7 Ų738 Ų387%0.07221%0.208CC..  trans80.7159.4-174.600000112.9E197 G201 Q205E197-G203 WeakPolarHBondContact OE1-CA 3.41Å; G201-G203 PolarHBondContact O-N 3.19Å; G203-Q205 PolarHBondContact O-N 3.22Å
204A97.4Very high97.4Very high3 Ų338 Ų383%0.02521%0.208CC..EExtended strand (participates in β ladder)trans-63.3121.1-173.400000112.9F109 N195 R208F109-A204 HydrophobicContact CB-CB 4.11Å; F109-A204 HydrophobicContact CD1-CB 4.48Å; F109-A204 WeakPolarHBondContact O-CB 3.29Å; F109-A204 PolarHBondContact O-N 3.44Å; N195-A204 VanDerWaalsContact C-CB 3.48Å; N195-A204 HydrophobicContact CB-CB 3.64Å; N195-A204 WeakPolarHBondContact O-CB 3.36Å; A204-R208 WeakPolarHBondContact O-CD 3.3Å; A204-R208 PolarHBondContact O-NH1 2.81Å
205Q97.4Very high97.4Very high78 Ų7840 Ų4036%0.36422%0.22SC..EExtended strand (participates in β ladder)trans-111.1-35.7178.2-67.1-173.2-19.800112.1V196 S198 G203 R208V196-Q205 PolarHBondContact O-N 3.24Å; S198-Q205 PolarHBondContact OG-OE1 3.04Å; G203-Q205 PolarHBondContact O-N 3.22Å; Q205-R208 PolarHBondContact O-NE 3.03Å; Q205-R208 VanDerWaalsContact O-NE 3.09Å; Q205-R208 PolarHBondContact O-NH2 3.02Å
206Y98.2Very high97.4Very high65 Ų6539.4 Ų39.426%0.25522%0.217SC..EExtended strand (participates in β ladder)trans-104159.6-175.2-58.7-73000112.8N195 V196 S198 R208 M234 Y295N195-Y206 WeakPolarHBondContact CA-O 3.5Å; V196-Y206 PolarHBondContact N-O 3.08Å; V196-Y206 PolarHBondContact O-N 2.69Å; S198-Y206 WeakPolarHBondContact OG-CE2 3.49Å; Y206-R208 WeakPolarHBondContact O-CG 3.44Å; Y206-R208 PolarHBondContact O-N 3.27Å; Y206-M234 HydrophobicContact CD2-CE 3.71Å; Y206-M234 HydrophobicContact CD2-SD 3.98Å; Y206-M234 HydrophobicContact CE2-CE 3.89Å; Y206-M234 HydrophobicContact CE2-SD 3.74Å; Y206-M234 HydrophobicContact CG-CE 4.5Å; Y206-Y295 PolarHBondContact OH-OH 3.38Å
207I98.1Very high97.4Very high13 Ų1341.8 Ų41.87%0.06723%0.229CC..SBendtrans55.454.7171.7-37.9-175.2000112.3N194 N195 V196 L228 P229N194-I207 HydrophobicContact CB-CG2 3.96Å; N195-I207 PolarHBondContact N-O 3.32Å; V196-I207 HydrophobicContact CG2-CD1 4.02Å; I207-L228 HydrophobicContact CD1-CD2 4.06Å; I207-L228 HydrophobicContact CG1-CD2 4.1Å; I207-P229 HydrophobicContact CG1-CG 4.31Å; I207-P229 HydrophobicContact CG2-CG 4.16Å
208R98.3Very high97.5Very high97 Ų9747.3 Ų47.337%0.36625%0.25SC..  trans-110.7-7.1-177.2-58.2-166.4-79.5-179.2-3.8114.2F109 I152 N195 A204 Q205 Y206F109-R208 VanDerWaalsContact CZ-NH1 3.35Å; I152-R208 HydrophobicContact CD1-CB 3.84Å; I152-R208 HydrophobicContact CD1-CG 4.19Å; N195-R208 WeakPolarHBondContact OD1-CG 3.39Å; A204-R208 WeakPolarHBondContact O-CD 3.3Å; A204-R208 PolarHBondContact O-NH1 2.81Å; Q205-R208 PolarHBondContact O-NE 3.03Å; Q205-R208 VanDerWaalsContact O-NE 3.09Å; Q205-R208 PolarHBondContact O-NH2 3.02Å; Y206-R208 WeakPolarHBondContact O-CG 3.44Å; Y206-R208 PolarHBondContact O-N 3.27Å
209A98.3Very high97.5Very high44 Ų4450.4 Ų50.436%0.36426%0.262SS..SBendtrans-85.4153.3-173.400000111G211 T212 V247A209-G211 PolarHBondContact O-N 3.32Å; A209-T212 HydrophobicContact CB-CG2 3.8Å; A209-T212 PolarHBondContact N-OG1 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.39Å; A209-T212 PolarHBondContact O-N 3.44Å; A209-T212 VanDerWaalsContact O-N 3.1Å; A209-T212 PolarHBondContact O-OG1 3.37Å; A209-V247 VanDerWaalsContact O-CB 3.25Å; A209-V247 WeakPolarHBondContact O-CB 3.37Å; A209-V247 WeakPolarHBondContact O-CG1 3.48Å
210A98.3Very high97.5Very high17 Ų1749 Ų4914%0.1426%0.26CS..THydrogen-bonded Turntrans-48.6132.5177.700000112.8S136 A137 T212 S248 N249 H252S136-A210 PolarHBondContact OG-N 2.77Å; A137-A210 HydrophobicContact CB-CB 4.44Å; A210-T212 PolarHBondContact O-N 3.2Å; A210-T212 VanDerWaalsContact O-N 3.09Å; A210-S248 VanDerWaalsContact CA-O 3.29Å; A210-S248 WeakPolarHBondContact CA-O 3.24Å; A210-N249 HydrophobicContact CB-CB 4.09Å; A210-N249 WeakPolarHBondContact CB-O 3.4Å; A210-H252 HydrophobicContact CB-CB 3.85Å
211G97.3Very high97.4Very high16 Ų1653.9 Ų53.917%0.16528%0.283CS..THydrogen-bonded Turntrans67.1117900000116.5A209 V247 S248A209-G211 PolarHBondContact O-N 3.32Å; G211-V247 VanDerWaalsContact CA-O 3.31Å; G211-V247 WeakPolarHBondContact CA-O 3.28Å; G211-V247 PolarHBondContact N-O 3.32Å; G211-V247 VanDerWaalsContact N-O 3.09Å; G211-S248 PolarHBondContact N-O 3.16Å
212T98.4Very high97.3Very high32 Ų3252.9 Ų52.920%0.19627%0.272CS..  trans-79.1146.1-179.962.60000112A209 A210 P229 V247A209-T212 HydrophobicContact CB-CG2 3.8Å; A209-T212 PolarHBondContact N-OG1 3.44Å; A209-T212 WeakPolarHBondContact O-CB 3.39Å; A209-T212 PolarHBondContact O-N 3.44Å; A209-T212 VanDerWaalsContact O-N 3.1Å; A209-T212 PolarHBondContact O-OG1 3.37Å; A210-T212 PolarHBondContact O-N 3.2Å; A210-T212 VanDerWaalsContact O-N 3.09Å; T212-P229 HydrophobicContact CG2-CG 4.4Å; T212-V247 WeakPolarHBondContact O-CG2 3.44Å; T212-V247 PolarHBondContact O-N 3.38Å
213C98.3Very high97.4Very high38 Ų3845.3 Ų45.326%0.25725%0.245SC..  trans-148.7150.9172.957.80000109.7R246C213-R246 HydrophobicContact CB-CB 4.32Å; C213-R246 HydrophobicContact CB-CG 3.78Å
214G98.1Very high97.4Very high1 Ų145 Ų451%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-113172167.300000110.1L192 I193 Q227L192-G214 WeakPolarHBondContact CA-O 3.29Å; I193-G214 PolarHBondContact N-O 2.77Å; I193-G214 PolarHBondContact O-N 2.95Å; G214-Q227 WeakPolarHBondContact CA-O 3.38Å
215V98.4Very high97.5Very high40 Ų4045.1 Ų45.124%0.24224%0.241CC..EExtended strand (participates in β ladder)trans-126.5135.9179.1-173.80000108.9T191 L192 L217 I226 Q227T191-V215 WeakPolarHBondContact O-CA 3.31Å; L192-V215 HydrophobicContact CD2-CG2 3.84Å; V215-L217 HydrophobicContact CG1-CD2 4.47Å; V215-L217 PolarHBondContact O-N 3.45Å; V215-I226 WeakPolarHBondContact O-CA 3.42Å; V215-Q227 PolarHBondContact N-O 2.93Å; V215-Q227 PolarHBondContact O-N 3.14Å
216L98.3Very high97.5Very high0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-77.9115.6169.4-178.559.2000109.7L187 G190 T191 A224 I226L187-L216 HydrophobicContact CB-CD2 4.05Å; G190-L216 WeakPolarHBondContact CA-O 3.31Å; G190-L216 PolarHBondContact N-O 3.2Å; T191-L216 PolarHBondContact O-N 2.95Å; T191-L216 VanDerWaalsContact O-N 3.11Å; L216-A224 HydrophobicContact CD1-CB 3.87Å; L216-I226 HydrophobicContact CD1-CG2 4.11Å
217L98.3Very high97.5Very high50 Ų5041.2 Ų41.226%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-89.5-50.5-173-65.1-179000113.4V189 V215 I225 Q227 Q233V189-L217 WeakPolarHBondContact CG1-O 3.3Å; V215-L217 HydrophobicContact CG1-CD2 4.47Å; V215-L217 PolarHBondContact O-N 3.45Å; L217-I225 HydrophobicContact CB-CG2 4.45Å; L217-I225 WeakPolarHBondContact CB-O 3.39Å; L217-I225 HydrophobicContact CD1-CG2 4.24Å; L217-I225 PolarHBondContact N-O 3.13Å; L217-Q227 HydrophobicContact CD1-CB 4.01Å; L217-Q227 HydrophobicContact CD2-CB 4.19Å; L217-Q227 HydrophobicContact CG-CB 4.06Å; L217-Q233 HydrophobicContact CD1-CG 3.96Å
218R97.7Very high97.5Very high120 Ų12041.8 Ų41.845%0.45323%0.228SC..EExtended strand (participates in β ladder)trans-163.8165.9179.563.2-179-179.5-83.9-1.8110.8V220 I225R218-V220 HydrophobicContact CG-CG2 4.42Å; R218-I225 HydrophobicContact CG-CB 4.19Å; R218-I225 HydrophobicContact CG-CD1 3.99Å; R218-I225 HydrophobicContact CG-CG1 4.45Å; R218-I225 PolarHBondContact O-N 3.08Å
219K97.2Very high97.5Very high71 Ų7140.5 Ų40.531%0.30923%0.233SC..EExtended strand (participates in β ladder)trans-120.4136.3175.2-57.2175.6-172173.20109.1L184 G185 L187 T223L184-K219 WeakPolarHBondContact O-CE 3.49Å; L184-K219 PolarHBondContact O-NZ 3.43Å; G185-K219 PolarHBondContact O-NZ 2.77Å; L187-K219 VanDerWaalsContact O-CE 3.23Å; L187-K219 WeakPolarHBondContact O-CE 3.43Å; L187-K219 PolarHBondContact O-NZ 2.84Å; K219-T223 CarbonylContact C-O 3.53Å; K219-T223 VanDerWaalsContact CA-O 3.24Å; K219-T223 WeakPolarHBondContact CA-O 3.47Å
220V96.5Very high97.5Very high60 Ų6042.5 Ų42.536%0.36424%0.244SC..EExtended strand (participates in β ladder)trans-142.3123.9-179.5-177.30000108.3R218 G222 T223R218-V220 HydrophobicContact CG-CG2 4.42Å; V220-G222 PolarHBondContact O-N 2.85Å; V220-T223 PolarHBondContact N-O 3.03Å; V220-T223 WeakPolarHBondContact O-CA 3.38Å; V220-T223 WeakPolarHBondContact O-CB 3.46Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.3Å
221N94.3Very high97.5Very high161 Ų16148.8 Ų48.886%0.86127%0.268SS*.THydrogen-bonded Turntrans47.150.8172-58.3-11.7000114.1T223N221-T223 PolarHBondContact O-N 3.09Å
222G93.1Very high97.5Very high30 Ų3052 Ų5231%0.30928%0.276SS..THydrogen-bonded Turntrans72.813.5-179.200000114.9V220 E238V220-G222 PolarHBondContact O-N 2.85Å; G222-E238 VanDerWaalsContact CA-CD 3.49Å; G222-E238 WeakPolarHBondContact O-CB 3.46Å; G222-E238 VanDerWaalsContact O-CG 3.31Å; G222-E238 WeakPolarHBondContact O-CG 3.36Å; G222-E238 PolarHBondContact O-N 3.37Å
223T96.9Very high97.5Very high9 Ų953.9 Ų53.96%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-121.5145.9177.674.50000110.5K219 V220 N221 Q235 V236 L237 V296K219-T223 CarbonylContact C-O 3.53Å; K219-T223 VanDerWaalsContact CA-O 3.24Å; K219-T223 WeakPolarHBondContact CA-O 3.47Å; V220-T223 PolarHBondContact N-O 3.03Å; V220-T223 WeakPolarHBondContact O-CA 3.38Å; V220-T223 WeakPolarHBondContact O-CB 3.46Å; V220-T223 PolarHBondContact O-N 3.42Å; V220-T223 PolarHBondContact O-OG1 3.3Å; N221-T223 PolarHBondContact O-N 3.09Å; T223-Q235 PolarHBondContact OG1-NE2 3.42Å; T223-V236 CarbonylContact C-O 3.6Å; T223-V236 VanDerWaalsContact CA-O 3.3Å; T223-V236 WeakPolarHBondContact CA-O 3.23Å; T223-V236 WeakPolarHBondContact CB-O 3.12Å; T223-L237 HydrophobicContact CG2-CD2 4.4Å; T223-V296 HydrophobicContact CG2-CB 4.42Å; T223-V296 HydrophobicContact CG2-CG1 4.09Å; T223-V296 HydrophobicContact CG2-CG2 3.65Å
224A97.7Very high97.5Very high0 Ų052.2 Ų52.20%027%0.27CS..EExtended strand (participates in β ladder)trans-109.5133.8177.400000110.1L184 L216 Q235 V236L184-A224 HydrophobicContact CB-CB 3.7Å; L184-A224 HydrophobicContact CD1-CB 3.82Å; L184-A224 HydrophobicContact CG-CB 4.36Å; L216-A224 HydrophobicContact CD1-CB 3.87Å; A224-Q235 WeakPolarHBondContact O-CA 3.21Å; A224-V236 HydrophobicContact CB-CG2 4.36Å; A224-V236 PolarHBondContact N-O 3.25Å; A224-V236 PolarHBondContact O-N 3.23Å
225I98.3Very high97.5Very high5 Ų553.9 Ų53.93%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-102.2119.8173.4-61.4175.5000108.2L217 R218 Q233 M234 Q235 M292L217-I225 HydrophobicContact CB-CG2 4.45Å; L217-I225 WeakPolarHBondContact CB-O 3.39Å; L217-I225 HydrophobicContact CD1-CG2 4.24Å; L217-I225 PolarHBondContact N-O 3.13Å; R218-I225 HydrophobicContact CG-CB 4.19Å; R218-I225 HydrophobicContact CG-CD1 3.99Å; R218-I225 HydrophobicContact CG-CG1 4.45Å; R218-I225 PolarHBondContact O-N 3.08Å; I225-Q233 HydrophobicContact CG2-CB 4.42Å; I225-M234 WeakPolarHBondContact CA-O 3.36Å; I225-Q235 HydrophobicContact CG1-CB 4.36Å; I225-Q235 HydrophobicContact CG1-CG 4.28Å; I225-M292 HydrophobicContact CD1-SD 4.01Å; I225-M292 HydrophobicContact CG1-SD 4.16Å; I225-M292 HydrophobicContact CG2-SD 4.03Å
226I98.2Very high97.5Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-112149.7179.870.8174.2000110.6L184 I193 V196 V215 L216 L228 Q233 M234 V236L184-I226 HydrophobicContact CD1-CG2 4.19Å; L184-I226 HydrophobicContact CD2-CG2 4.42Å; I193-I226 HydrophobicContact CD1-CB 4.38Å; I193-I226 HydrophobicContact CD1-CG2 3.84Å; V196-I226 HydrophobicContact CB-CD1 4.19Å; V196-I226 HydrophobicContact CG1-CD1 3.68Å; V196-I226 HydrophobicContact CG2-CD1 4.2Å; V215-I226 WeakPolarHBondContact O-CA 3.42Å; L216-I226 HydrophobicContact CD1-CG2 4.11Å; I226-L228 HydrophobicContact CD1-CD2 4.13Å; I226-Q233 CarbonylContact O-C 3.59Å; I226-Q233 WeakPolarHBondContact O-CA 3.23Å; I226-M234 HydrophobicContact CD1-CB 4.36Å; I226-M234 HydrophobicContact CD1-CE 3.33Å; I226-M234 HydrophobicContact CD1-SD 4.46Å; I226-M234 HydrophobicContact CG1-CB 3.83Å; I226-M234 HydrophobicContact CG1-CE 4.12Å; I226-M234 PolarHBondContact N-O 2.77Å; I226-M234 PolarHBondContact O-N 3.27Å; I226-V236 HydrophobicContact CG2-CG2 4.47Å
227Q98.5Very high97.5Very high62 Ų6255.1 Ų55.129%0.2928%0.283SS..EExtended strand (participates in β ladder)trans-99.2123.7168.4-165.7175.123.900110.1G214 V215 L217G214-Q227 WeakPolarHBondContact CA-O 3.38Å; V215-Q227 PolarHBondContact N-O 2.93Å; V215-Q227 PolarHBondContact O-N 3.14Å; L217-Q227 HydrophobicContact CD1-CB 4.01Å; L217-Q227 HydrophobicContact CD2-CB 4.19Å; L217-Q227 HydrophobicContact CG-CB 4.06Å
228L98.4Very high97.4Very high24 Ų2455.7 Ų55.713%0.12628%0.284CS..  trans-78.7162.3174.8-63.1177.4000111.2I207 I226 S230 K231 R232 M234I207-L228 HydrophobicContact CD1-CD2 4.06Å; I207-L228 HydrophobicContact CG1-CD2 4.1Å; I226-L228 HydrophobicContact CD1-CD2 4.13Å; L228-S230 PolarHBondContact O-N 2.74Å; L228-K231 WeakPolarHBondContact O-CA 3.42Å; L228-K231 PolarHBondContact O-N 3.22Å; L228-R232 WeakPolarHBondContact CB-O 3.49Å; L228-R232 PolarHBondContact N-O 2.77Å; L228-M234 HydrophobicContact CD1-CB 4.44Å; L228-M234 HydrophobicContact CD1-SD 4.34Å; L228-M234 HydrophobicContact CD2-SD 4.42Å; L228-M234 HydrophobicContact CG-CB 4.44Å
229P98.3Very high97.4Very high71 Ų7153.3 Ų53.346%0.46128%0.283SS..THydrogen-bonded Turntrans-55.9-23.8175.2-25.431.7000114.5I207 T212 K231I207-P229 HydrophobicContact CG1-CG 4.31Å; I207-P229 HydrophobicContact CG2-CG 4.16Å; T212-P229 HydrophobicContact CG2-CG 4.4Å; P229-K231 PolarHBondContact O-N 3.13Å
230S97.3Very high97.4Very high86 Ų8649.9 Ų49.960%0.60127%0.268SS*.THydrogen-bonded Turntrans-78.66.1174.260.10000114L228 R232L228-S230 PolarHBondContact O-N 2.74Å; S230-R232 PolarHBondContact O-N 3.46Å; S230-R232 VanDerWaalsContact O-N 3.13Å
231K98.2Very high97.4Very high148 Ų14847.6 Ų47.664%0.64325%0.254SS*.SBendtrans65.1-1.2-171.2-53.3179.3179.2-176.70115L228 P229 L289L228-K231 WeakPolarHBondContact O-CA 3.42Å; L228-K231 PolarHBondContact O-N 3.22Å; P229-K231 PolarHBondContact O-N 3.13Å; K231-L289 HydrophobicContact CB-CD2 4.17Å
232R98.3Very high97.6Very high85 Ų8540 Ų4032%0.32121%0.214SC..  trans-70.1137.6173.8-173.3176.7-173-179.93.2110.4L228 S230 P290 P291L228-R232 WeakPolarHBondContact CB-O 3.49Å; L228-R232 PolarHBondContact N-O 2.77Å; S230-R232 PolarHBondContact O-N 3.46Å; S230-R232 VanDerWaalsContact O-N 3.13Å; R232-P290 HydrophobicContact CG-CG 4.11Å; R232-P291 PolarHBondContact NE-O 2.83Å; R232-P291 PolarHBondContact NH2-O 2.76Å
233Q98.4Very high97.9Very high71 Ų7138.8 Ų38.833%0.33220%0.2SC..EExtended strand (participates in β ladder)trans-86.1145.4175.4-63.8177.2200111.4L217 I225 I226 M292 K293L217-Q233 HydrophobicContact CD1-CG 3.96Å; I225-Q233 HydrophobicContact CG2-CB 4.42Å; I226-Q233 CarbonylContact O-C 3.59Å; I226-Q233 WeakPolarHBondContact O-CA 3.23Å; Q233-M292 HydrophobicContact CB-CB 4.18Å; Q233-M292 HydrophobicContact CB-CG 3.91Å; Q233-M292 HydrophobicContact CB-SD 4.47Å; Q233-M292 WeakPolarHBondContact O-CA 3.45Å; Q233-K293 PolarHBondContact O-N 3.39Å; Q233-K293 VanDerWaalsContact O-N 3.08Å
234M97.9Very high97.9Very high3 Ų339 Ų392%0.01520%0.201CC..EExtended strand (participates in β ladder)trans-137.5135.3178.9-173.6175.195.500109.9V196 Y206 I225 I226 L228 V236 K293 Y295V196-M234 HydrophobicContact CG1-CE 4.37Å; Y206-M234 HydrophobicContact CD2-CE 3.71Å; Y206-M234 HydrophobicContact CD2-SD 3.98Å; Y206-M234 HydrophobicContact CE2-CE 3.89Å; Y206-M234 HydrophobicContact CE2-SD 3.74Å; Y206-M234 HydrophobicContact CG-CE 4.5Å; I225-M234 WeakPolarHBondContact CA-O 3.36Å; I226-M234 HydrophobicContact CD1-CB 4.36Å; I226-M234 HydrophobicContact CD1-CE 3.33Å; I226-M234 HydrophobicContact CD1-SD 4.46Å; I226-M234 HydrophobicContact CG1-CB 3.83Å; I226-M234 HydrophobicContact CG1-CE 4.12Å; I226-M234 PolarHBondContact N-O 2.77Å; I226-M234 PolarHBondContact O-N 3.27Å; L228-M234 HydrophobicContact CD1-CB 4.44Å; L228-M234 HydrophobicContact CD1-SD 4.34Å; L228-M234 HydrophobicContact CD2-SD 4.42Å; L228-M234 HydrophobicContact CG-CB 4.44Å; M234-V236 HydrophobicContact CE-CG1 3.44Å; M234-V236 VanDerWaalsContact CE-CG1 3.44Å; M234-V236 HydrophobicContact CG-CG1 4.28Å; M234-K293 CarbonylContact C-O 3.57Å; M234-K293 VanDerWaalsContact CA-O 3.29Å; M234-K293 WeakPolarHBondContact CA-O 3.32Å; M234-Y295 HydrophobicContact CG-CD2 3.86Å; M234-Y295 HydrophobicContact CG-CE2 3.66Å; M234-Y295 HydrophobicContact SD-CD2 4.15Å; M234-Y295 HydrophobicContact SD-CE2 3.57Å; M234-Y295 VanDerWaalsContact SD-CE2 3.57Å
235Q98Very high97.9Very high36 Ų3639.4 Ų39.417%0.16821%0.206CC..EExtended strand (participates in β ladder)trans-106.3127.6176.5-176.5-174.420.600109.6T223 A224 I225 M292 K293 S294 Y295 V296T223-Q235 PolarHBondContact OG1-NE2 3.42Å; A224-Q235 WeakPolarHBondContact O-CA 3.21Å; I225-Q235 HydrophobicContact CG1-CB 4.36Å; I225-Q235 HydrophobicContact CG1-CG 4.28Å; Q235-M292 HydrophobicContact CB-CE 4.02Å; Q235-M292 HydrophobicContact CB-SD 3.99Å; Q235-K293 PolarHBondContact N-O 2.85Å; Q235-S294 PolarHBondContact OE1-OG 3.31Å; Q235-Y295 PolarHBondContact O-N 2.81Å; Q235-V296 HydrophobicContact CG-CG2 4.1Å
236V97.9Very high97.9Very high0 Ų042.5 Ų42.50%022%0.217CC..EExtended strand (participates in β ladder)trans-135.3165.9-179.4-69.20000110.1L184 T223 A224 I226 M234 Y295L184-V236 HydrophobicContact CD1-CG2 3.3Å; T223-V236 CarbonylContact C-O 3.6Å; T223-V236 VanDerWaalsContact CA-O 3.3Å; T223-V236 WeakPolarHBondContact CA-O 3.23Å; T223-V236 WeakPolarHBondContact CB-O 3.12Å; A224-V236 HydrophobicContact CB-CG2 4.36Å; A224-V236 PolarHBondContact N-O 3.25Å; A224-V236 PolarHBondContact O-N 3.23Å; I226-V236 HydrophobicContact CG2-CG2 4.47Å; M234-V236 HydrophobicContact CE-CG1 3.44Å; M234-V236 VanDerWaalsContact CE-CG1 3.44Å; M234-V236 HydrophobicContact CG-CG1 4.28Å; V236-Y295 HydrophobicContact CG1-CD2 4.19Å
237L97.5Very high97.9Very high66 Ų6642.5 Ų42.535%0.34622%0.217SC..EExtended strand (participates in β ladder)trans-68.2148.7174.5-65.8174.3000110.8P200 T223 T239 C240 V296P200-L237 HydrophobicContact CG-CB 4.24Å; P200-L237 HydrophobicContact CG-CD1 3.91Å; T223-L237 HydrophobicContact CG2-CD2 4.4Å; L237-T239 PolarHBondContact O-N 2.76Å; L237-C240 WeakPolarHBondContact O-CB 3.19Å; L237-C240 PolarHBondContact O-N 3.49Å; L237-V296 HydrophobicContact CD2-CG1 4.32Å; L237-V296 HydrophobicContact CD2-CG2 4.07Å; L237-V296 HydrophobicContact CG-CG2 4.49Å
238E96.6Very high97.9Very high62 Ų6239.8 Ų39.829%0.2921%0.205SC..THydrogen-bonded Turntrans-67.7-20.8178.173.3-177.3170.100113.5I169 P183 L184 G185 G222 C240I169-E238 HydrophobicContact CD1-CG 4.07Å; P183-E238 WeakPolarHBondContact CB-O 3.42Å; L184-E238 PolarHBondContact N-O 2.98Å; L184-E238 VanDerWaalsContact N-O 3.12Å; G185-E238 PolarHBondContact N-O 2.82Å; G222-E238 VanDerWaalsContact CA-CD 3.49Å; G222-E238 WeakPolarHBondContact O-CB 3.46Å; G222-E238 VanDerWaalsContact O-CG 3.31Å; G222-E238 WeakPolarHBondContact O-CG 3.36Å; G222-E238 PolarHBondContact O-N 3.37Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.95Å
239T97.3Very high97.9Very high69 Ų6941.2 Ų41.242%0.42321%0.213SC..THydrogen-bonded Turntrans-76.8-12.2177.452.20000113.3I169 P200 L237 V241I169-T239 HydrophobicContact CD1-CG2 3.96Å; P200-T239 WeakPolarHBondContact CG-OG1 3.36Å; L237-T239 PolarHBondContact O-N 2.76Å; T239-V241 PolarHBondContact O-N 3.08Å
240C97.7Very high97.9Very high0 Ų039.7 Ų39.70%020%0.202CC..SBendtrans-62.9134173.1-70.20000110.4P183 L184 E197 E199 P200 L237 E238P183-C240 WeakPolarHBondContact CA-O 3.44Å; L184-C240 HydrophobicContact CD1-CB 4.2Å; L184-C240 PolarHBondContact N-O 3.02Å; E197-C240 HydrophobicContact CB-CB 4.29Å; E199-C240 VanDerWaalsContact C-SG 3.57Å; P200-C240 VanDerWaalsContact CD-SG 3.6Å; L237-C240 WeakPolarHBondContact O-CB 3.19Å; L237-C240 PolarHBondContact O-N 3.49Å; E238-C240 VanDerWaalsContact C-N 3.28Å; E238-C240 PolarHBondContact O-N 2.95Å
241V97.8Very high97.9Very high12 Ų1240 Ų407%0.07320%0.197CC..EExtended strand (participates in β ladder)trans-83.1140.3178.1179.30000110F112 A181 E197 T239F112-V241 HydrophobicContact CB-CG1 4.42Å; F112-V241 HydrophobicContact CB-CG2 4.04Å; A181-V241 HydrophobicContact CB-CG1 4.09Å; E197-V241 WeakPolarHBondContact CG-O 3.15Å; T239-V241 PolarHBondContact O-N 3.08Å
242A98Very high97.9Very high1 Ų135.9 Ų35.91%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-134.415617100000109.8A181 H182 L184 I193 V196A181-A242 WeakPolarHBondContact CA-O 3.31Å; H182-A242 PolarHBondContact N-O 3.18Å; H182-A242 PolarHBondContact O-N 3.38Å; H182-A242 VanDerWaalsContact O-O 3.09Å; L184-A242 HydrophobicContact CD2-CB 3.66Å; L184-A242 HydrophobicContact CG-CB 4.33Å; I193-A242 HydrophobicContact CB-CB 4.3Å; I193-A242 HydrophobicContact CD1-CB 4.46Å; I193-A242 HydrophobicContact CG2-CB 4.42Å; V196-A242 HydrophobicContact CG2-CB 4.2Å
243T98.4Very high97.9Very high4 Ų438 Ų383%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-98.7137.5173.9-49.90000109.2T154 D180 I193 N194T154-T243 HydrophobicContact CG2-CG2 4.03Å; D180-T243 WeakPolarHBondContact O-CA 3.41Å; I193-T243 CarbonylContact C-O 3.52Å; I193-T243 WeakPolarHBondContact CA-O 3.4Å; N194-T243 PolarHBondContact N-O 3.49Å; N194-T243 PolarHBondContact O-N 3.26Å; N194-T243 WeakPolarHBondContact OD1-CB 3.25Å
244V98.3Very high97.9Very high13 Ų1341.8 Ų41.88%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-83.4141.6-179.4178.50000110.7A176 G179 D180 L187A176-V244 HydrophobicContact CB-CB 4.26Å; A176-V244 HydrophobicContact CB-CG1 4.27Å; A176-V244 HydrophobicContact CB-CG2 3.68Å; G179-V244 PolarHBondContact N-O 3.03Å; D180-V244 PolarHBondContact O-N 2.97Å; L187-V244 HydrophobicContact CD1-CG2 3.91Å; L187-V244 HydrophobicContact CD2-CG2 3.52Å; L187-V244 HydrophobicContact CG-CG2 4.39Å
245G97.6Very high97.9Very high9 Ų946.9 Ų46.99%0.09323%0.232CC..SBendtrans103.5-169.8178.200000114.1L192 I193 N194L192-G245 PolarHBondContact O-N 3.05Å; I193-G245 CarbonylContact C-O 3.6Å; N194-G245 VanDerWaalsContact ND2-C 3.35Å; N194-G245 PolarHBondContact ND2-O 3.42Å
246R98.1Very high97.9Very high71 Ų7150.7 Ų50.727%0.26826%0.257SS..PPolyproline II helixtrans-101.6157.2-178.6-57.5-179.356.7-145.86.7109.4T154 E155 E178 L192 N194 C213T154-R246 CarbonylContact C-O 3.59Å; T154-R246 WeakPolarHBondContact CA-O 3.14Å; T154-R246 WeakPolarHBondContact CB-O 3.31Å; E155-R246 HydrophobicContact CB-CB 4.26Å; E155-R246 PolarHBondContact N-O 2.99Å; E155-R246 IonicContact OE1-NH1 2.86Å; E155-R246 PolarHBondContact OE1-NH1 3.01Å; E155-R246 WeakPolarHBondContact OE2-CB 3.29Å; E155-R246 VanDerWaalsContact OE2-CD 3.25Å; E155-R246 WeakPolarHBondContact OE2-CD 3.36Å; E155-R246 IonicContact OE2-CZ 3.38Å; E155-R246 IonicContact OE2-NE 2.87Å; E155-R246 IonicContact OE2-NH1 3.49Å; E155-R246 PolarHBondContact OE2-NH1 3.43Å; E178-R246 PolarHBondContact OE1-N 3.26Å; L192-R246 HydrophobicContact CD1-CG 4.17Å; N194-R246 PolarHBondContact ND2-O 3.08Å; C213-R246 HydrophobicContact CB-CB 4.32Å; C213-R246 HydrophobicContact CB-CG 3.78Å
247V98.6Very high97.8Very high0 Ų052.8 Ų52.80%027%0.268CS..BIsolated β-bridgetrans-75.7141.6175.2-178.20000109.8A137 I152 N194 A209 G211 T212A137-V247 HydrophobicContact CB-CG1 3.38Å; I152-V247 HydrophobicContact CG2-CG1 3.73Å; I152-V247 HydrophobicContact CG2-CG2 4.5Å; N194-V247 HydrophobicContact CB-CG2 3.7Å; A209-V247 VanDerWaalsContact O-CB 3.25Å; A209-V247 WeakPolarHBondContact O-CB 3.37Å; A209-V247 WeakPolarHBondContact O-CG1 3.48Å; G211-V247 VanDerWaalsContact CA-O 3.31Å; G211-V247 WeakPolarHBondContact CA-O 3.28Å; G211-V247 PolarHBondContact N-O 3.32Å; G211-V247 VanDerWaalsContact N-O 3.09Å; T212-V247 WeakPolarHBondContact O-CG2 3.44Å; T212-V247 PolarHBondContact O-N 3.38Å
248S98.1Very high97.9Very high5 Ų553 Ų534%0.03529%0.287CS..SBendtrans-49.4165.1173.753.20000115D138 A153 T154 A210 G211D138-S248 PolarHBondContact N-OG 3.14Å; D138-S248 PolarHBondContact O-OG 3.33Å; A153-S248 VanDerWaalsContact O-CB 3.28Å; A153-S248 WeakPolarHBondContact O-CB 3.4Å; A153-S248 PolarHBondContact O-N 3.28Å; A153-S248 PolarHBondContact O-OG 3.42Å; T154-S248 WeakPolarHBondContact O-CB 3.34Å; A210-S248 VanDerWaalsContact CA-O 3.29Å; A210-S248 WeakPolarHBondContact CA-O 3.24Å; G211-S248 PolarHBondContact N-O 3.16Å
249N97.8Very high97.9Very high54 Ų5456 Ų5629%0.28930%0.298SS..  trans62.256.6178.4-166.93.5000113S136 A210 D251 H252S136-N249 PolarHBondContact O-ND2 3.02Å; A210-N249 HydrophobicContact CB-CB 4.09Å; A210-N249 WeakPolarHBondContact CB-O 3.4Å; N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact O-N 3.06Å; N249-H252 PolarHBondContact ND2-ND1 3.48Å; N249-H252 VanDerWaalsContact O-CB 3.31Å; N249-H252 WeakPolarHBondContact O-CB 3.36Å; N249-H252 PolarHBondContact O-N 2.92Å
250V98.2Very high98Very high39 Ų3956.5 Ų56.524%0.23631%0.31CS..G310 helixtrans-62-39.5-175178.60000112.7E155 H252E155-V250 VanDerWaalsContact CD-CG2 3.44Å; E155-V250 HydrophobicContact CG-CG2 3.8Å; E155-V250 WeakPolarHBondContact OE1-CG2 3.47Å; V250-H252 PolarHBondContact O-N 2.92Å; V250-H252 VanDerWaalsContact O-N 3.14Å
251D98.1Very high98Very high92 Ų9257.8 Ų57.849%0.49232%0.323SS..G310 helixtrans-8013.1-178.4-66.9-48.7000114N249 N253 K254N249-D251 VanDerWaalsContact C-N 3.34Å; N249-D251 PolarHBondContact O-N 3.06Å; D251-N253 PolarHBondContact O-N 3.38Å; D251-N253 VanDerWaalsContact O-N 3.1Å; D251-K254 HydrophobicContact CB-CD 4.47Å; D251-K254 PolarHBondContact O-N 3.25Å; D251-K254 WeakPolarHBondContact OD1-CD 3.22Å; D251-K254 WeakPolarHBondContact OD1-CE 3.03Å; D251-K254 IonicContact OD1-NZ 2.76Å; D251-K254 PolarHBondContact OD1-NZ 3.44Å
252H97.9Very high98Very high61 Ų6162 Ų6228%0.28234%0.338SS..G310 helixtrans-54.8-32.2176.5-16992.2000112.8A210 N249 V250 R255A210-H252 HydrophobicContact CB-CB 3.85Å; N249-H252 PolarHBondContact ND2-ND1 3.48Å; N249-H252 VanDerWaalsContact O-CB 3.31Å; N249-H252 WeakPolarHBondContact O-CB 3.36Å; N249-H252 PolarHBondContact O-N 2.92Å; V250-H252 PolarHBondContact O-N 2.92Å; V250-H252 VanDerWaalsContact O-N 3.14Å; H252-R255 PolarHBondContact CE1-NH1 2.8Å; H252-R255 PolarHBondContact NE2-NH1 3.43Å; H252-R255 WeakPolarHBondContact O-CB 3.27Å
253N97.6Very high98Very high131 Ų13164.7 Ų64.770%0.70135%0.352SS*.G310 helixtrans-72.7-28.4179.264.3-9.4000113.6D251 R255D251-N253 PolarHBondContact O-N 3.38Å; D251-N253 VanDerWaalsContact O-N 3.1Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.4Å
254K98.1Very high98Very high150 Ų15070.7 Ų70.765%0.65237%0.374SS*.G310 helixtrans-82.7-3.9179.2-66.8172.9-166.9160.20112.7D251 V256D251-K254 HydrophobicContact CB-CD 4.47Å; D251-K254 PolarHBondContact O-N 3.25Å; D251-K254 WeakPolarHBondContact OD1-CD 3.22Å; D251-K254 WeakPolarHBondContact OD1-CE 3.03Å; D251-K254 IonicContact OD1-NZ 2.76Å; D251-K254 PolarHBondContact OD1-NZ 3.44Å; K254-V256 PolarHBondContact O-N 3.06Å
255R97.4Very high98Very high109 Ų10977 Ų7741%0.41140%0.397SS..  trans-64.9118.7-177.9-170.1-173.683.2-1285.9112.3H252 N253 I257H252-R255 PolarHBondContact CE1-NH1 2.8Å; H252-R255 PolarHBondContact NE2-NH1 3.43Å; H252-R255 WeakPolarHBondContact O-CB 3.27Å; N253-R255 VanDerWaalsContact C-N 3.28Å; N253-R255 PolarHBondContact O-N 3.4Å; R255-I257 VanDerWaalsContact NH2-CD1 3.25Å
256V98.1Very high98Very high116 Ų11680 Ų8070%0.70341%0.41SS*.  trans-82.3126.6173.6-177.50000111.2K254K254-V256 PolarHBondContact O-N 3.06Å
257I97.5Very high97.9Very high44 Ų4477.1 Ų77.123%0.22640%0.403CS..  trans-73.6-27.8179.5-57.3-61.6000112.4R255 K259 R262 L266R255-I257 VanDerWaalsContact NH2-CD1 3.25Å; I257-K259 VanDerWaalsContact C-N 3.27Å; I257-K259 PolarHBondContact O-N 3.23Å; I257-R262 VanDerWaalsContact C-NH1 3.31Å; I257-R262 HydrophobicContact CG2-CB 3.94Å; I257-R262 HydrophobicContact CG2-CG 4.27Å; I257-R262 VanDerWaalsContact O-CD 3.31Å; I257-R262 WeakPolarHBondContact O-CD 3.29Å; I257-R262 PolarHBondContact O-NH1 3.42Å; I257-L266 HydrophobicContact CD1-CD1 4.47Å
258G98.2Very high97.9Very high71 Ų7182.7 Ų82.773%0.73243%0.427SS*.  trans73.1-68.1175.700000113.8
259K98.2Very high97.9Very high124 Ų12487.8 Ų87.854%0.53945%0.446SS..SBendtrans-128.2152.8-175.967.7-178179.2-176.50113.5I257 G261 R262I257-K259 VanDerWaalsContact C-N 3.27Å; I257-K259 PolarHBondContact O-N 3.23Å; K259-G261 PolarHBondContact O-N 3.28Å; K259-R262 HydrophobicContact CG-CB 4.5Å; K259-R262 PolarHBondContact O-N 3.19Å; K259-R262 VanDerWaalsContact O-N 3.08Å
260A97.9Very high97.9Very high80 Ų8089.9 Ų89.966%0.66146%0.462SS*.Hα-helixtrans-56.3-34.2177.500000113.1R262 N263 R264A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.91Å; A260-N263 WeakPolarHBondContact O-CB 3.46Å; A260-N263 PolarHBondContact O-N 3.02Å; A260-N263 VanDerWaalsContact O-N 3.08Å; A260-R264 PolarHBondContact O-N 2.94Å
261G98.3Very high97.9Very high28 Ų2895.3 Ų95.329%0.28949%0.49SS..Hα-helixtrans-57.2-34.917700000113.8K259 N263 R264 W265K259-G261 PolarHBondContact O-N 3.28Å; G261-N263 VanDerWaalsContact C-N 3.32Å; G261-N263 PolarHBondContact O-N 2.99Å; G261-R264 WeakPolarHBondContact O-CA 3.48Å; G261-R264 WeakPolarHBondContact O-CB 3.31Å; G261-R264 PolarHBondContact O-N 3.3Å; G261-W265 PolarHBondContact O-N 3.09Å
262R97.8Very high97.8Very high99 Ų9995.5 Ų95.537%0.37450%0.498SS..Hα-helixtrans-66.1-35.4177.6-172.2173.9-70.7143.8-10.3111.6I257 K259 A260 R264 W265 L266I257-R262 VanDerWaalsContact C-NH1 3.31Å; I257-R262 HydrophobicContact CG2-CB 3.94Å; I257-R262 HydrophobicContact CG2-CG 4.27Å; I257-R262 VanDerWaalsContact O-CD 3.31Å; I257-R262 WeakPolarHBondContact O-CD 3.29Å; I257-R262 PolarHBondContact O-NH1 3.42Å; K259-R262 HydrophobicContact CG-CB 4.5Å; K259-R262 PolarHBondContact O-N 3.19Å; K259-R262 VanDerWaalsContact O-N 3.08Å; A260-R262 VanDerWaalsContact C-N 3.26Å; A260-R262 PolarHBondContact O-N 2.91Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.37Å; R262-W265 HydrophobicContact CB-CE3 4.24Å; R262-W265 HydrophobicContact CG-CE3 4.26Å; R262-W265 PolarHBondContact O-N 3.25Å; R262-L266 WeakPolarHBondContact O-CG 3.44Å; R262-L266 PolarHBondContact O-N 3.3Å; R262-L266 VanDerWaalsContact O-N 3.14Å
263N97.9Very high97.8Very high59 Ų5996.6 Ų96.632%0.31653%0.526SS..Hα-helixtrans-64.3-37.3171.1-81.7-28.5000112.1A260 G261 L266 G267 K268A260-N263 WeakPolarHBondContact O-CB 3.46Å; A260-N263 PolarHBondContact O-N 3.02Å; A260-N263 VanDerWaalsContact O-N 3.08Å; G261-N263 VanDerWaalsContact C-N 3.32Å; G261-N263 PolarHBondContact O-N 2.99Å; N263-L266 PolarHBondContact O-N 3.24Å; N263-G267 PolarHBondContact O-N 3.35Å; N263-K268 HydrophobicContact CB-CB 4.48Å; N263-K268 WeakPolarHBondContact O-CB 3.21Å; N263-K268 PolarHBondContact O-N 2.72Å
264R97.9Very high97.8Very high129 Ų12999.2 Ų99.249%0.48753%0.526SS..Hα-helixtrans-65.3-39.5175.6-55.7-53.5-55.7-75.7-6.2111.7G99 A260 G261 R262 L266 G267 K268G99-R264 VanDerWaalsContact CA-O 3.27Å; G99-R264 WeakPolarHBondContact CA-O 3.24Å; G99-R264 PolarHBondContact N-O 3.46Å; A260-R264 PolarHBondContact O-N 2.94Å; G261-R264 WeakPolarHBondContact O-CA 3.48Å; G261-R264 WeakPolarHBondContact O-CB 3.31Å; G261-R264 PolarHBondContact O-N 3.3Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-R264 PolarHBondContact O-N 3.37Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.47Å; R264-G267 PolarHBondContact O-N 3.11Å; R264-K268 VanDerWaalsContact CD-O 3.31Å; R264-K268 WeakPolarHBondContact CD-O 3.33Å; R264-K268 PolarHBondContact NE-O 3.03Å
265W98.2Very high97.8Very high147 Ų147101 Ų10156%0.55753%0.529SS*.Hα-helixtrans-62.9-35.2174.6-58.5-22.2000112.8G99 H100 G261 R262 G267G99-W265 CarbonylContact C-O 3.58Å; G99-W265 VanDerWaalsContact CA-O 3.22Å; G99-W265 WeakPolarHBondContact CA-O 3.31Å; H100-W265 PolarHBondContact N-O 2.9Å; G261-W265 PolarHBondContact O-N 3.09Å; R262-W265 HydrophobicContact CB-CE3 4.24Å; R262-W265 HydrophobicContact CG-CE3 4.26Å; R262-W265 PolarHBondContact O-N 3.25Å; W265-G267 PolarHBondContact O-N 3.33Å
266L97.4Very high97.8Very high70 Ų70101.9 Ų101.937%0.36654%0.538SS..THydrogen-bonded Turntrans-72.6-3173.5-64.4173.8000113.6I257 R262 N263 R264I257-L266 HydrophobicContact CD1-CD1 4.47Å; R262-L266 WeakPolarHBondContact O-CG 3.44Å; R262-L266 PolarHBondContact O-N 3.3Å; R262-L266 VanDerWaalsContact O-N 3.14Å; N263-L266 PolarHBondContact O-N 3.24Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.47Å
267G97.3Very high97.8Very high11 Ų11105.7 Ų105.711%0.11354%0.54CS..THydrogen-bonded Turntrans81.221.2179.100000114.5G97 N263 R264 W265G97-G267 PolarHBondContact N-O 3.07Å; G97-G267 CarbonylContact O-C 3.43Å; N263-G267 PolarHBondContact O-N 3.35Å; R264-G267 PolarHBondContact O-N 3.11Å; W265-G267 PolarHBondContact O-N 3.33Å
268K98Very high97.9Very high118 Ų118111.9 Ų111.951%0.51357%0.565SS.*BIsolated β-bridgetrans-97125.8175.4-57.9-179.1-179.5-178.20109.8G95 N263 R264G95-K268 CarbonylContact O-C 3.5Å; G95-K268 WeakPolarHBondContact O-CA 3.36Å; N263-K268 HydrophobicContact CB-CB 4.48Å; N263-K268 WeakPolarHBondContact O-CB 3.21Å; N263-K268 PolarHBondContact O-N 2.72Å; R264-K268 VanDerWaalsContact CD-O 3.31Å; R264-K268 WeakPolarHBondContact CD-O 3.33Å; R264-K268 PolarHBondContact NE-O 3.03Å
269R97.4Very high97.9Very high111 Ų111110.1 Ų110.142%0.41955%0.547SS..PPolyproline II helixtrans-88.7155.9173.1-68.1171.865.2-172.31.4109.8G95 I96G95-R269 PolarHBondContact O-N 2.86Å; I96-R269 VanDerWaalsContact O-CD 3.31Å; I96-R269 WeakPolarHBondContact O-CD 3.2Å
270P98.2Very high97.9Very high99 Ų99107.5 Ų107.564%0.64356%0.555SS**PPolyproline II helixtrans-62.7157.6173.628.5-35.9000111.4
271N97.9Very high97.8Very high152 Ų152113.6 Ų113.681%0.81356%0.561SS**PPolyproline II helixtrans-69.7163.7171.7-66.3-25.5000110.7
272S97Very high97.8Very high96 Ų96113.6 Ų113.667%0.67156%0.558SS**PPolyproline II helixtrans-63.7142.1173.2-176.90000110.7R274S272-R274 PolarHBondContact O-N 3.32Å; S272-R274 PolarHBondContact OG-N 3.32Å
273G97.6Very high97.8Very high84 Ų84111.9 Ų111.987%0.86657%0.571SS**  trans-76.9-6.7172.300000113.7W275G273-W275 PolarHBondContact O-N 3.32Å
274R98.1Very high97.8Very high187 Ų187120 Ų12071%0.70660%0.598SS**  trans-65.2121.3178.6-173.4178-171.5176.94.4110S272 H276S272-R274 PolarHBondContact O-N 3.32Å; S272-R274 PolarHBondContact OG-N 3.32Å; R274-H276 PolarHBondContact O-CE1 2.6Å; R274-H276 VanDerWaalsContact O-CE1 3.3Å; R274-H276 PolarHBondContact O-ND1 3.09Å
275W98.2Very high97.8Very high187 Ų187119.5 Ų119.571%0.70860%0.599SS**  trans-70.5136172.1-177.991.1000110.6G273 R277G273-W275 PolarHBondContact O-N 3.32Å; W275-R277 HydrophobicContact CH2-CB 3.51Å; W275-R277 HydrophobicContact CH2-CG 3.88Å; W275-R277 HydrophobicContact CZ2-CB 4.26Å; W275-R277 HydrophobicContact CZ3-CB 3.81Å
276H97.7Very high97.8Very high128 Ų128120.1 Ų120.159%0.59361%0.612SS**  trans-126.9129.4175.4-60.684.7000108.7R274 K278R274-H276 PolarHBondContact O-CE1 2.6Å; R274-H276 VanDerWaalsContact O-CE1 3.3Å; R274-H276 PolarHBondContact O-ND1 3.09Å; H276-K278 PolarHBondContact O-N 2.77Å
277R98.1Very high97.8Very high196 Ų196126.6 Ų126.674%0.7463%0.631SS**  trans-65.3132173.4-167177.6-68.1112.7-0.8109.3W275W275-R277 HydrophobicContact CH2-CB 3.51Å; W275-R277 HydrophobicContact CH2-CG 3.88Å; W275-R277 HydrophobicContact CZ2-CB 4.26Å; W275-R277 HydrophobicContact CZ3-CB 3.81Å
278K98.4Very high97.8Very high173 Ų173131.7 Ų131.775%0.75266%0.662SS**  trans-62.9136.2173.2-66.4176.6-177.1172.30109.3H276 A282H276-K278 PolarHBondContact O-N 2.77Å; K278-A282 HydrophobicContact CB-CB 3.99Å; K278-A282 HydrophobicContact CD-CB 4.44Å; K278-A282 HydrophobicContact CG-CB 4.41Å
279G97.9Very high97.8Very high35 Ų35132.2 Ų132.236%0.36167%0.67SS.*  trans-102.7-173.7175.300000112.6W281 A282G279-W281 PolarHBondContact O-N 3.39Å; G279-W281 VanDerWaalsContact O-N 3.11Å; G279-A282 WeakPolarHBondContact O-CB 3.38Å; G279-A282 PolarHBondContact O-N 3.44Å
280G98.1Very high97.8Very high69 Ų69130.2 Ų130.271%0.71167%0.671SS**THydrogen-bonded Turntrans-64.9-13.5-179.300000115.6A282 K285G280-A282 VanDerWaalsContact C-N 3.28Å; G280-K285 PolarHBondContact O-NZ 3Å
281W97.4Very high97.8Very high208 Ų208130.5 Ų130.579%0.78867%0.673SS**THydrogen-bonded Turntrans-70.4-25.1171.363.3-96.9000112.6G279G279-W281 PolarHBondContact O-N 3.39Å; G279-W281 VanDerWaalsContact O-N 3.11Å
282A97.7Very high97.8Very high27 Ų27126.7 Ų126.722%0.22365%0.651CS.*  trans-73165.1176.400000111.1K278 G279 G280K278-A282 HydrophobicContact CB-CB 3.99Å; K278-A282 HydrophobicContact CD-CB 4.44Å; K278-A282 HydrophobicContact CG-CB 4.41Å; G279-A282 WeakPolarHBondContact O-CB 3.38Å; G279-A282 PolarHBondContact O-N 3.44Å; G280-A282 VanDerWaalsContact C-N 3.28Å
283G97.3Very high97.8Very high63 Ų63126.9 Ų126.965%0.64964%0.64SS**SBendtrans94.2162-176.700000113.1K285G283-K285 PolarHBondContact O-N 3.44Å
284R98.1Very high97.8Very high231 Ų231125.2 Ų125.287%0.87262%0.615SS**  trans-66.6127.1-179.6-176.6-177.6-68.6-111.52.4109.3I286R284-I286 HydrophobicContact CG-CG1 4.43Å
285K97.7Very high97.7Very high117 Ų117119.4 Ų119.451%0.50959%0.593SS.*  trans-115.1109.7174.2-54.6-61-178.7-1790108.6G280 G283 R287G280-K285 PolarHBondContact O-NZ 3Å; G283-K285 PolarHBondContact O-N 3.44Å; K285-R287 HydrophobicContact CB-CG 4.48Å; K285-R287 PolarHBondContact O-N 2.91Å
286I97.9Very high97.4Very high161 Ų161112.1 Ų112.183%0.82657%0.57SS**  trans-84.1108.4173.4-57.3173.9000106.3R284R284-I286 HydrophobicContact CG-CG1 4.43Å
287R97.8Very high97.1Very high205 Ų205114.5 Ų114.577%0.77458%0.578SS**  trans-112.2144.4178.5-65-178.4178.8177.6-1.3108.8K285K285-R287 HydrophobicContact CB-CG 4.48Å; K285-R287 PolarHBondContact O-N 2.91Å
288P98.1Very high96.1Very high118 Ų118112.5 Ų112.577%0.76658%0.581SS**PPolyproline II helixtrans-61.8158.8169.529.1-34.9000110
289L97.6Very high95.1Very high130 Ų130108.5 Ų108.568%0.68157%0.573SS**PPolyproline II helixtrans-59.4132.4173.1-77.4124.9000109.2K231K231-L289 HydrophobicContact CB-CD2 4.17Å
290P97.7Very high93.6Very high68 Ų68110.6 Ų110.644%0.44258%0.582SS.*PPolyproline II helixtrans-63.6153.2176.728.3-34.9000109.9R232R232-P290 HydrophobicContact CG-CG 4.11Å
291P97.8Very high91.9Very high106 Ų106111.8 Ų111.869%0.68859%0.585SS**PPolyproline II helixtrans-60.3155.2179.326.4-35000111.4R232 K293R232-P291 PolarHBondContact NE-O 2.83Å; R232-P291 PolarHBondContact NH2-O 2.76Å; P291-K293 PolarHBondContact O-N 2.85Å
292M97.6Very high90Very high72 Ų72105.6 Ų105.636%0.35558%0.578SS.*PPolyproline II helixtrans-54.1134.4175.6-178.1178.470.800109.9I225 Q233 Q235I225-M292 HydrophobicContact CD1-SD 4.01Å; I225-M292 HydrophobicContact CG1-SD 4.16Å; I225-M292 HydrophobicContact CG2-SD 4.03Å; Q233-M292 HydrophobicContact CB-CB 4.18Å; Q233-M292 HydrophobicContact CB-CG 3.91Å; Q233-M292 HydrophobicContact CB-SD 4.47Å; Q233-M292 WeakPolarHBondContact O-CA 3.45Å; Q235-M292 HydrophobicContact CB-CE 4.02Å; Q235-M292 HydrophobicContact CB-SD 3.99Å
293K97.4Very high87.9Confident100 Ų100107.9 Ų107.944%0.43560%0.598SS.*EExtended strand (participates in β ladder)trans-90.9117.8174.4-174.561.8178.5170.40109.2Q233 M234 Q235 P291 Y295Q233-K293 PolarHBondContact O-N 3.39Å; Q233-K293 VanDerWaalsContact O-N 3.08Å; M234-K293 CarbonylContact C-O 3.57Å; M234-K293 VanDerWaalsContact CA-O 3.29Å; M234-K293 WeakPolarHBondContact CA-O 3.32Å; Q235-K293 PolarHBondContact N-O 2.85Å; P291-K293 PolarHBondContact O-N 2.85Å; K293-Y295 HydrophobicContact CG-CD2 4.49Å; K293-Y295 HydrophobicContact CG-CE2 3.76Å
294S96.7Very high85.8Confident48 Ų48112.4 Ų112.434%0.33660%0.602SS.*EExtended strand (participates in β ladder)trans-98.2136.4173.3-168.90000111.7Q235 V296Q235-S294 PolarHBondContact OE1-OG 3.31Å; S294-V296 PolarHBondContact OG-N 2.96Å
295Y95.7Very high83.2Confident65 Ų65109.4 Ų109.426%0.25562%0.616SS.*  trans-104-2.9170.3-71.8-86.4000112.4Y206 M234 Q235 V236 K293Y206-Y295 PolarHBondContact OH-OH 3.38Å; M234-Y295 HydrophobicContact CG-CD2 3.86Å; M234-Y295 HydrophobicContact CG-CE2 3.66Å; M234-Y295 HydrophobicContact SD-CD2 4.15Å; M234-Y295 HydrophobicContact SD-CE2 3.57Å; M234-Y295 VanDerWaalsContact SD-CE2 3.57Å; Q235-Y295 PolarHBondContact O-N 2.81Å; V236-Y295 HydrophobicContact CG1-CD2 4.19Å; K293-Y295 HydrophobicContact CG-CD2 4.49Å; K293-Y295 HydrophobicContact CG-CE2 3.76Å
296V93.8Very high82.4Confident35 Ų35109.1 Ų109.121%0.21262%0.622CS.*PPolyproline II helixtrans-83.7125.2-179-1770000108.3T223 Q235 L237 S294T223-V296 HydrophobicContact CG2-CB 4.42Å; T223-V296 HydrophobicContact CG2-CG1 4.09Å; T223-V296 HydrophobicContact CG2-CG2 3.65Å; Q235-V296 HydrophobicContact CG-CG2 4.1Å; L237-V296 HydrophobicContact CD2-CG1 4.32Å; L237-V296 HydrophobicContact CD2-CG2 4.07Å; L237-V296 HydrophobicContact CG-CG2 4.49Å; S294-V296 PolarHBondContact OG-N 2.96Å
297K90.7Very high81.6Confident178 Ų178106.3 Ų106.377%0.77461%0.611SS**PPolyproline II helixtrans-88.9118.2171.9-60.8177.1-173.3173.10107.2
298L77Confident80.7Confident153 Ų153100.8 Ų100.880%0.80160%0.602SS**PPolyproline II helixtrans-67.1140.2172.2-63.9173.4000108.6S300L298-S300 PolarHBondContact O-N 2.84Å
299P76.5Confident79.7Confident89 Ų8999.8 Ų99.858%0.57859%0.592SS**PPolyproline II helixtrans-57.3134.6167.925.5-31.7000108.1
300S66.2Low78.6Confident79 Ų7997.9 Ų97.955%0.55259%0.587SS**PPolyproline II helixtrans-63.2142.8173.763.90000108.4L298 A302 A303L298-S300 PolarHBondContact O-N 2.84Å; S300-A302 PolarHBondContact O-N 2.92Å; S300-A303 PolarHBondContact O-N 3.5Å
301A63.4Low77.3Confident94 Ų9499.9 Ų99.978%0.77760%0.597SS**G310 helixtrans-55.6-19.8-179.700000113.4A303A301-A303 VanDerWaalsContact C-N 3.34Å; A301-A303 PolarHBondContact O-N 3.07Å
302A56.4Low75.8Confident78 Ų7899.5 Ų99.565%0.64559%0.59SS**G310 helixtrans-76.5-10.5177.300000114.9S300S300-A302 PolarHBondContact O-N 2.92Å
303A54.3Low74.2Confident76 Ų76101.6 Ų101.663%0.62861%0.608SS**G310 helixtrans-934.4179.400000113.5S300 A301S300-A303 PolarHBondContact O-N 3.5Å; A301-A303 VanDerWaalsContact C-N 3.34Å; A301-A303 PolarHBondContact O-N 3.07Å
304Q52.6Low72.2Confident158 Ų158101.8 Ų101.874%0.73862%0.623SS**  trans-115.19-177.9-66.9-171.7-23.500113.5
305S43.4Very low70Confident168 Ų168106.6 Ų106.6100%1.17565%0.649SS**  trans-1000171.261.50000111.3

Retrieved 305 of 305 residues in 87.7 ms (Link to these results)