A0A087XCD4_POEFO Loading...

Protein kinase AMP-activated non-catalytic subunit beta 2

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB (A0A3B3UCH2), UniProt , Accession A0A087XCD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.7Very low35Very low250 Ų250130.5 Ų130.5100%1.23278%0.776SS**  0111.70-72.5166169.300105.7
2G31.5Very low34.9Very low72 Ų72139.6 Ų139.674%0.74279%0.787SS**  cis124.6123.625.800000107.4
3N32.8Very low34.7Very low149 Ų149140.5 Ų140.580%0.79778%0.781SS**  trans86.7108.4173.7-68.15.8000117.4
4T38.4Very low34.4Very low112 Ų112136.5 Ų136.569%0.68779%0.787SS**  72138.959.973.30000111
5S41.9Very low34.3Very low90 Ų90139.8 Ų139.863%0.62979%0.788SS**  cis-171.5140.136.8-15.40000107
6D35.7Very low34.2Very low112 Ų112137.6 Ų137.660%0.59979%0.793SS**  62.9136.895-72.9-38.7000114.1
7R38Very low34.1Very low194 Ų194139.8 Ų139.873%0.73279%0.794SS**  cis177.9152.822.4-112.1170.4-162.2119.118109.6
8V31.9Very low34Very low127 Ų127144.6 Ų144.677%0.7780%0.797SS**  62.1146.2129.3169.90000118.1
9S31.1Very low33.8Very low110 Ų110145.1 Ų145.177%0.76981%0.805SS**  cis-179.6158.4-10.4-84.80000104.8
10G30.9Very low33.6Very low83 Ų83145.5 Ų145.586%0.85681%0.806SS**  trans166.479168.800000115.9
11D31.6Very low33.5Very low136 Ų136144 Ų14473%0.72781%0.805SS**  trans-69.3145.6173.8-159.1-9.4000112.8H13D11-H13 IonicContact OD1-ND1 3.12Å
12R33.7Very low32.7Very low240 Ų240135.9 Ų135.991%0.90679%0.786SS**  trans17997.4142.2-99.9171.4-169-163.24113.5
13H32.7Very low32.4Very low152 Ų152136 Ų13670%0.70479%0.788SS**  32.2122123.9-86.167.1000121.2D11D11-H13 IonicContact OD1-ND1 3.12Å
14G30.4Very low32.2Very low84 Ų84134.4 Ų134.487%0.86679%0.788SS**  trans-154.1100150.300000110.5
15K32.8Very low31.8Very low186 Ų186137.3 Ų137.381%0.80979%0.793SS**  trans-78.6142.8175.7-85.7176.9171.3175.20111.3
16A32.3Very low31.1Very low104 Ų104141.9 Ų141.986%0.8680%0.802SS**  trans-157.8124.513600000111.5
17H32Very low30.9Very low175 Ų175143.3 Ų143.381%0.8181%0.809SS**  trans-68.1135.1172.6-106.1-110.3000110.9
18R32.3Very low30.4Very low226 Ų226143.7 Ų143.785%0.85382%0.819SS**  44.1115.289.5-78.7-167.4175.5-176.4-0.5116.6
19T30.7Very low30.4Very low155 Ų155146.5 Ų146.595%0.95182%0.824SS**  trans-147.3146.1134.736.60000110.6
20D29.5Very low30.5Very low153 Ų153147.2 Ų147.282%0.81883%0.829SS**  trans-107.4179.3-168.2177.629.3000110.8
21S31.1Very low30.5Very low113 Ų113146.7 Ų146.779%0.7982%0.824SS**  trans88133.9166.370.20000116.8
22G26.4Very low30.5Very low81 Ų81144.6 Ų144.684%0.83582%0.82SS**  cis1421294.400000109.9
23G25.3Very low30.5Very low75 Ų75143.2 Ų143.277%0.77382%0.82SS**  trans122.3105153.600000121.2
24S27.5Very low30.6Very low114 Ų114143.8 Ų143.880%0.79783%0.825SS**  73.2120.2120.2-55.70000126
25H29.7Very low31Very low173 Ų173146.5 Ų146.580%0.80183%0.825SS**  trans70.2120.6132.6-80.7-72.5000125.2
26K28.7Very low30.9Very low186 Ų186144.4 Ų144.481%0.80982%0.823SS**  161.5116115.1-92.3-174.2174.2-177.40111.1
27D29.5Very low31Very low142 Ų142143.8 Ų143.876%0.75981%0.812SS**  63.1114.296.3-70.1-30.1000116.5
28Q28.4Very low31.2Very low202 Ų202141.2 Ų141.294%0.94481%0.809SS**  -165.7131.7121.3-135.1166.740.200114.5
29E31.5Very low31.4Very low186 Ų186137.5 Ų137.587%0.86981%0.806SS**  trans-68.3157.8171.5-81174.1113.300115.6
30S33.1Very low32.1Very low125 Ų125137 Ų13787%0.87480%0.797SS**  -168.8140121.670.30000108.3
31G30.7Very low33.1Very low72 Ų72134.2 Ų134.274%0.74279%0.788SS**  cis-179.6132.8-1.200000108.6
32S33.3Very low33.3Very low93 Ų93136 Ų13665%0.6579%0.789SS**  trans-10.8144.6162.5-169.40000120.3
33K33.3Very low33.7Very low210 Ų210138.5 Ų138.591%0.91379%0.787SS**  -160.4128.9113.9-102.9168.5-169.9-176.50113.5
34M35.1Very low34.2Very low164 Ų164144.1 Ų144.181%0.80879%0.791SS**  trans-83.9161.1-179.3-59162.7168.400112.2
35V38.4Very low34.4Very low142 Ų142146 Ų14686%0.86179%0.792SS**  -179.1107.1126.8-83.50000105.9
36D29.4Very low34.9Very low142 Ų142142.9 Ų142.976%0.75979%0.785SS**  69.8121.871.5-161.929.4000115.4
37S34.7Very low35.2Very low90 Ų90142.9 Ų142.963%0.62979%0.787SS**  trans65139.8148.2-77.80000119.4
38T36.7Very low35.3Very low121 Ų121139.6 Ų139.674%0.74279%0.787SS**  cis-167.6146.719.130.20000110.2
39D36.9Very low36.1Very low149 Ų149135.7 Ų135.780%0.79778%0.779SS**  8.6144.6126.6-73.2-24.9000118
40D44.3Very low36Very low143 Ų143135.3 Ų135.377%0.76578%0.778SS**  cis-169.8-1579.4-153.4-0.2000107.3
41P50.4Low36Very low96 Ų96134.6 Ų134.662%0.62377%0.773SS**  trans-116.4-164.3-137.237.6-13.5000113.2
42N36.4Very low36Very low151 Ų151140.8 Ų140.881%0.80778%0.779SS**  trans83.4119.5163.4-90.8-9.3000119.1
43V33.8Very low35.9Very low132 Ų132142.2 Ų142.280%0.879%0.789SS**  158.3123.7104.21690000110.9
44F36.1Very low35.9Very low194 Ų194137.3 Ų137.385%0.85178%0.781SS**  trans-63.8129.1159.8-93.8-102.6000111.5
45N31.4Very low35.9Very low154 Ų154133.3 Ų133.382%0.82478%0.782SS**  -178.5155125.3-107-0.4000114.8
46T41.2Very low35.9Very low106 Ų106133.1 Ų133.165%0.6578%0.776SS**  trans-71.2144.7-171.143.50000117.9
47H33.9Very low36.5Very low186 Ų186136.4 Ų136.486%0.86178%0.783SS**  155.7130.2126.6-87.1-71.3000111.2
48G31.6Very low36.5Very low74 Ų74140.4 Ų140.476%0.76379%0.792SS**  trans-80.9-158.2-178.500000114.8
49P46.8Very low36.6Very low120 Ų120144.4 Ų144.478%0.77980%0.8SS**  cis-128.5177.5-5.733-11.8000114.9
50E28.2Very low36.5Very low178 Ų178142.8 Ų142.883%0.83280%0.795SS**  trans100.9130.3154.3-53.6-160.8151.600121.8
51S32.8Very low36.5Very low110 Ų110141.4 Ų141.477%0.76979%0.794SS**  trans95.392.914770.20000120.6
52K31.6Very low35.8Very low202 Ų202143.5 Ų143.588%0.87880%0.8SS**  trans50.9107.1130.7-62-175178.2-178.50119.3
53S31.3Very low36.4Very low123 Ų123143.8 Ų143.886%0.8680%0.801SS**  169.791.7106.946.80000109.9G55S53-G55 PolarHBondContact O-N 3.14Å
54S32.3Very low37.2Very low107 Ų107144.4 Ų144.475%0.74880%0.8SS**  trans-81.8108.217039.50000108.9D56S54-D56 VanDerWaalsContact C-N 3.34Å; S54-D56 PolarHBondContact O-N 2.86Å
55G35.9Very low37.8Very low79 Ų79142.6 Ų142.681%0.81480%0.799SS**  trans-82.581.3164.500000109.4S53S53-G55 PolarHBondContact O-N 3.14Å
56D37.7Very low38.8Very low139 Ų139142.9 Ų142.974%0.74380%0.8SS**  trans-80.5121.3165.4-75-32.7000108.3S54 E58S54-D56 VanDerWaalsContact C-N 3.34Å; S54-D56 PolarHBondContact O-N 2.86Å; D56-E58 PolarHBondContact O-N 2.92Å
57K43.2Very low39.3Very low210 Ų210143.8 Ų143.891%0.91381%0.805SS**  trans-70.188.9164.8-75.5-176177177.70107.5F59K57-F59 PolarHBondContact O-N 3.11Å
58E33.8Very low39.8Very low174 Ų174143.8 Ų143.881%0.81380%0.802SS**  trans-60.6119.9167.6-162.6165.4-169.800108.4D56 T60D56-E58 PolarHBondContact O-N 2.92Å; E58-T60 PolarHBondContact O-N 3.02Å
59F38.8Very low40.4Very low205 Ų205147.9 Ų147.990%0.89981%0.812SS**  trans-60.2105.3165.2-118-98.7000106.3K57 P61K57-F59 PolarHBondContact O-N 3.11Å; F59-P61 WeakPolarHBondContact O-CD 3.42Å
60T34.8Very low41Very low115 Ų115144.2 Ų144.271%0.70680%0.796SS**  trans-68.7115.4169.147.50000107.4E58 D62E58-T60 PolarHBondContact O-N 3.02Å; T60-D62 PolarHBondContact O-N 2.83Å
61P43.3Very low42.7Very low114 Ų114141.3 Ų141.374%0.7479%0.793SS**  trans-61.1134.7163.226.9-30.1000107.3F59 L63F59-P61 WeakPolarHBondContact O-CD 3.42Å; P61-L63 PolarHBondContact O-N 2.88Å; P61-L63 VanDerWaalsContact O-N 3.14Å
62D36.6Very low45Very low141 Ų141141.5 Ų141.575%0.75478%0.782SS**  trans-48.4122.3180-105.3-29.8000109.6T60 D64T60-D62 PolarHBondContact O-N 2.83Å; D62-D64 PolarHBondContact O-N 3.01Å
63L49.8Very low47.8Very low156 Ų156134.1 Ų134.182%0.81776%0.758SS**THydrogen-bonded Turntrans-76.424.8-175.3-134.498.8000112.3P61P61-L63 PolarHBondContact O-N 2.88Å; P61-L63 VanDerWaalsContact O-N 3.14Å
64D50.6Low50.6Low145 Ų145130.1 Ų130.178%0.77573%0.725SS**THydrogen-bonded Turntrans-102-9180-78.6-19.2000112.9D62 L66D62-D64 PolarHBondContact O-N 3.01Å; D64-L66 VanDerWaalsContact C-N 3.33Å
65D48.9Very low53.6Low157 Ų157128.9 Ų128.984%0.8471%0.714SS**SBendtrans-86.1-1.9177.9-103.1-21.2000114.3V67D65-V67 PolarHBondContact O-N 3.37Å
66L51.5Low56.4Low160 Ų160125.7 Ų125.784%0.83868%0.679SS**SBendtrans-94.477.1174.3-16169.5000110.2D64D64-L66 VanDerWaalsContact C-N 3.33Å
67V51.7Low59.2Low125 Ų125123.5 Ų123.576%0.75867%0.67SS**SBendtrans152.595.4145.8167.70000109D65D65-V67 PolarHBondContact O-N 3.37Å
68K44.1Very low61.8Low186 Ų186113.6 Ų113.681%0.80963%0.627SS**  trans-166.374.6143.7-103.9169.5-169.1178.70108.8G70K68-G70 PolarHBondContact O-N 2.83Å
69T45.4Very low64.8Low159 Ų159112.1 Ų112.198%0.97561%0.614SS**  trans-75.955.2165.751.70000110.4
70G58Low67.5Low43 Ų43103.4 Ų103.444%0.44358%0.575SS.*SBendtrans-122.5162.8164.200000108.3K68 Q72K68-G70 PolarHBondContact O-N 2.83Å; G70-Q72 PolarHBondContact O-N 3.25Å
71P64.3Low70.4Confident117 Ų117100.8 Ų100.876%0.7657%0.566SS**  trans-55.4108.3170.4-17.629.6000108A73 P116P71-A73 PolarHBondContact O-N 2.85Å; P71-P116 HydrophobicContact CB-CB 3.74Å
72Q81.4Confident72.6Confident114 Ų11496.6 Ų96.653%0.53354%0.543SS..  trans-69.8106.4179.4-172179.424.700106.5G70 R74G70-Q72 PolarHBondContact O-N 3.25Å; Q72-R74 HydrophobicContact CG-CG 4.43Å
73A89.3Confident75.2Confident47 Ų4792.9 Ų92.939%0.38854%0.538SS..  trans-69.8137.4171.600000108.7P71 D114 L115P71-A73 PolarHBondContact O-N 2.85Å; A73-D114 HydrophobicContact CB-CB 3.84Å; A73-L115 WeakPolarHBondContact CA-O 3.31Å
74R90Very high77.2Confident40 Ų4086.4 Ų86.415%0.15151%0.509CS..EExtended strand (participates in β ladder)trans-130.3145.4-173.3-58.9-178174.9-163.2-7.5110.7Q72 T76 D114 L115 E117 K154 F157Q72-R74 HydrophobicContact CG-CG 4.43Å; R74-T76 PolarHBondContact O-N 2.8Å; R74-T76 VanDerWaalsContact O-N 3.13Å; R74-T76 PolarHBondContact O-OG1 2.9Å; R74-D114 WeakPolarHBondContact O-CA 3.43Å; R74-L115 PolarHBondContact N-O 3.2Å; R74-L115 PolarHBondContact O-N 3.46Å; R74-E117 IonicContact CZ-OE1 3.91Å; R74-E117 IonicContact NE-OE1 4Å; R74-E117 IonicContact NH2-OE1 3.93Å; R74-K154 PolarHBondContact NH1-O 3.48Å; R74-K154 VanDerWaalsContact NH1-O 3.08Å; R74-F157 HydrophobicContact CB-CD1 3.84Å; R74-F157 HydrophobicContact CB-CD2 4.39Å; R74-F157 HydrophobicContact CB-CE1 3.24Å; R74-F157 HydrophobicContact CB-CE2 3.82Å; R74-F157 HydrophobicContact CB-CG 4.37Å; R74-F157 HydrophobicContact CB-CZ 3.21Å; R74-F157 HydrophobicContact CG-CD1 4.4Å; R74-F157 HydrophobicContact CG-CD2 4.45Å; R74-F157 HydrophobicContact CG-CE1 4.2Å; R74-F157 HydrophobicContact CG-CE2 4.19Å; R74-F157 HydrophobicContact CG-CZ 4.07Å
75P95.6Very high79.1Confident80 Ų8087.7 Ų87.752%0.51951%0.507SS..EExtended strand (participates in β ladder)trans-65.9115.8-171.925.5-34.7000110.6I112 D114P75-I112 HydrophobicContact CB-CG2 3.88Å; P75-D114 VanDerWaalsContact CA-OD1 3.31Å; P75-D114 WeakPolarHBondContact CA-OD1 3.38Å
76T96.4Very high81.3Confident13 Ų1385.9 Ų85.98%0.0849%0.494CS..EExtended strand (participates in β ladder)trans-116124.6-179.2-54.50000109.1R74 I112 L113 L115 I150 V152R74-T76 PolarHBondContact O-N 2.8Å; R74-T76 VanDerWaalsContact O-N 3.13Å; R74-T76 PolarHBondContact O-OG1 2.9Å; T76-I112 WeakPolarHBondContact O-CA 3.49Å; T76-L113 WeakPolarHBondContact CB-O 3.27Å; T76-L113 PolarHBondContact N-O 2.75Å; T76-L113 PolarHBondContact O-N 2.9Å; T76-L115 HydrophobicContact CG2-CD1 4.07Å; T76-I150 HydrophobicContact CG2-CD1 3.43Å; T76-I150 VanDerWaalsContact CG2-CD1 3.43Å; T76-I150 HydrophobicContact CG2-CG1 4.45Å; T76-V152 HydrophobicContact CG2-CG2 4.22Å
77V96.3Very high83.5Confident93 Ų9378.5 Ų78.556%0.56446%0.455SS*.EExtended strand (participates in β ladder)trans-83.9123.9179-176.20000109V110 I112V77-V110 HydrophobicContact CG1-CG1 3.85Å; V77-I112 HydrophobicContact CG2-CG1 4.33Å
78I96.7Very high85.7Confident2 Ų275.6 Ų75.61%0.0143%0.431CS..EExtended strand (participates in β ladder)trans-116.9126.9170.8-54.7176.5000108.3I89 V110 A111 L113 Y122 F124I78-I89 HydrophobicContact CB-CD1 4.18Å; I78-I89 HydrophobicContact CD1-CD1 3.6Å; I78-I89 HydrophobicContact CG1-CD1 4.49Å; I78-I89 HydrophobicContact CG2-CD1 3.57Å; I78-V110 WeakPolarHBondContact O-CA 3.34Å; I78-A111 PolarHBondContact N-O 2.85Å; I78-A111 PolarHBondContact O-N 2.88Å; I78-L113 HydrophobicContact CD1-CD1 3.95Å; I78-Y122 HydrophobicContact CG2-CD2 4.28Å; I78-Y122 HydrophobicContact CG2-CE2 3.82Å; I78-F124 HydrophobicContact CG2-CE1 4.05Å; I78-F124 HydrophobicContact CG2-CZ 3.74Å
79R96.6Very high88.3Confident142 Ų14266.8 Ų66.854%0.53639%0.393SS..EExtended strand (participates in β ladder)trans-124142.4-174.5-178.6170.867.5158.6-5.4110.8D108 F109 V110R79-D108 WeakPolarHBondContact CD-OD2 3.39Å; R79-D108 HydrophobicContact CG-CB 4.06Å; R79-D108 IonicContact CZ-OD2 3.95Å; R79-D108 IonicContact NH1-OD2 3.96Å; R79-D108 PolarHBondContact NH1-OD2 3.5Å; R79-D108 VanDerWaalsContact NH1-OD2 3.12Å; R79-F109 CarbonylContact C-O 3.55Å; R79-F109 WeakPolarHBondContact CA-O 3.17Å; R79-V110 HydrophobicContact CB-CG2 4.4Å; R79-V110 HydrophobicContact CG-CG2 4.07Å
80W96.9Very high90.7Very high22 Ų2259.2 Ų59.28%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-119.7109.1168.1172.6-100.6000108.3G82 G83 V87 L102 F109 F124 V126 L131 D133W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 VanDerWaalsContact CD1-O 3.31Å; W80-G82 VanDerWaalsContact NE1-C 3.3Å; W80-G82 PolarHBondContact NE1-O 3.49Å; W80-G83 PolarHBondContact NE1-O 2.99Å; W80-G83 VanDerWaalsContact NE1-O 3.11Å; W80-V87 HydrophobicContact CB-CG1 4.37Å; W80-V87 HydrophobicContact CG-CG1 4.19Å; W80-L102 HydrophobicContact CB-CD2 4.14Å; W80-F109 HydrophobicContact CB-CB 4.16Å; W80-F109 AromaticContact CD1-CD2 3.94Å; W80-F109 PolarHBondContact N-O 2.85Å; W80-F109 PolarHBondContact O-N 2.94Å; W80-F124 HydrophobicContact CB-CD1 4.08Å; W80-F124 HydrophobicContact CB-CE1 3.8Å; W80-F124 HydrophobicContact CB-CZ 4.06Å; W80-F124 HydrophobicContact CD2-CD2 4.33Å; W80-F124 HydrophobicContact CD2-CG 4.26Å; W80-F124 HydrophobicContact CE3-CB 4.29Å; W80-F124 HydrophobicContact CE3-CD1 4.34Å; W80-F124 AromaticContact CE3-CD2 3.41Å; W80-F124 HydrophobicContact CE3-CD2 3.41Å; W80-F124 VanDerWaalsContact CE3-CD2 3.41Å; W80-F124 AromaticContact CE3-CE2 3.68Å; W80-F124 HydrophobicContact CE3-CE2 3.68Å; W80-F124 AromaticContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CZ 4.26Å; W80-F124 HydrophobicContact CG-CD1 4.48Å; W80-F124 AromaticContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CE2 4.31Å; W80-F124 HydrophobicContact CZ3-CG 4.3Å; W80-V126 HydrophobicContact CD2-CG2 4.44Å; W80-V126 HydrophobicContact CZ2-CG2 3.89Å; W80-L131 HydrophobicContact CH2-CB 3.94Å; W80-L131 HydrophobicContact CH2-CD1 4.14Å; W80-L131 HydrophobicContact CZ2-CD1 4.08Å; W80-D133 HydrophobicContact CE3-CB 4.29Å; W80-D133 HydrophobicContact CZ3-CB 4.15Å
81A94.7Very high92.5Very high61 Ų6157.2 Ų57.250%0.50433%0.326SS..  trans-85.2-2.1177.800000113
82G90.6Very high94Very high26 Ų2653.6 Ų53.627%0.26830%0.304SS..SBendtrans-74167.717600000112.9W80W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 VanDerWaalsContact CD1-O 3.31Å; W80-G82 VanDerWaalsContact NE1-C 3.3Å; W80-G82 PolarHBondContact NE1-O 3.49Å
83G90.1Very high94.6Very high62 Ų6250.8 Ų50.864%0.63929%0.289SS*.  trans-70172.5171.400000113.1W80W80-G83 PolarHBondContact NE1-O 2.99Å; W80-G83 VanDerWaalsContact NE1-O 3.11Å
84G91.3Very high94.8Very high20 Ų2049.7 Ų49.721%0.20628%0.277CS..  trans157.1160.7174.500000112.4K104 F109 D127G84-K104 PolarHBondContact O-NZ 2.84Å; G84-F109 VanDerWaalsContact O-CZ 3.31Å; G84-F109 WeakPolarHBondContact O-CZ 3.5Å; G84-D127 WeakPolarHBondContact CA-OD2 3.5Å
85K92Very high95Very high173 Ų17354.5 Ų54.575%0.75231%0.306SS*.SBendtrans-94.7-50.3166.2-64179.8-178.3176.30110.3D127K85-D127 WeakPolarHBondContact CA-OD1 3.26Å; K85-D127 WeakPolarHBondContact CB-OD1 3.49Å; K85-D127 PolarHBondContact N-OD1 2.82Å; K85-D127 PolarHBondContact N-OD2 2.96Å; K85-D127 VanDerWaalsContact N-OD2 3.14Å
86E94.5Very high94.9Very high119 Ų11955.7 Ų55.756%0.55630%0.3SS*.SBendtrans-124.6118.3179.8-61.5-175.612700109.4Y88 D127E86-Y88 HydrophobicContact CB-CE2 3.84Å; E86-D127 PolarHBondContact N-OD1 3.28Å; E86-D127 PolarHBondContact O-N 3.09Å
87V97.7Very high94.6Very high5 Ų558.8 Ų58.83%0.0332%0.323CS..EExtended strand (participates in β ladder)trans-121.5128.2-178.5-178.50000108.7W80 L102 F109 F124 V126W80-V87 HydrophobicContact CB-CG1 4.37Å; W80-V87 HydrophobicContact CG-CG1 4.19Å; V87-L102 HydrophobicContact CB-CB 4.41Å; V87-L102 HydrophobicContact CG1-CB 4.33Å; V87-L102 HydrophobicContact CG1-CD1 4.39Å; V87-L102 HydrophobicContact CG1-CD2 3.92Å; V87-L102 HydrophobicContact CG1-CG 4.43Å; V87-L102 PolarHBondContact O-N 2.82Å; V87-F109 HydrophobicContact CB-CB 4.2Å; V87-F109 HydrophobicContact CB-CD1 3.64Å; V87-F109 HydrophobicContact CB-CD2 4.44Å; V87-F109 HydrophobicContact CB-CE1 4.02Å; V87-F109 HydrophobicContact CB-CG 3.86Å; V87-F109 HydrophobicContact CG1-CB 4.24Å; V87-F109 HydrophobicContact CG1-CG 4.39Å; V87-F109 HydrophobicContact CG2-CB 4.39Å; V87-F109 HydrophobicContact CG2-CD1 3.63Å; V87-F109 HydrophobicContact CG2-CD2 3.75Å; V87-F109 HydrophobicContact CG2-CE1 3.64Å; V87-F109 HydrophobicContact CG2-CE2 3.77Å; V87-F109 HydrophobicContact CG2-CG 3.67Å; V87-F109 HydrophobicContact CG2-CZ 3.71Å; V87-F124 HydrophobicContact CG1-CD1 4.25Å; V87-V126 HydrophobicContact CG1-CG2 4.07Å; V87-V126 HydrophobicContact CG2-CG1 4.17Å; V87-V126 HydrophobicContact CG2-CG2 4.21Å
88Y97.9Very high94.4Very high63 Ų6359.8 Ų59.825%0.24733%0.325CS..EExtended strand (participates in β ladder)trans-126.5162.8174.6-51.9-100.4000110.9E86 K99 I100 P101 F124 F125E86-Y88 HydrophobicContact CB-CE2 3.84Å; Y88-K99 HydrophobicContact CD1-CB 3.94Å; Y88-K99 HydrophobicContact CG-CB 4.01Å; Y88-I100 CarbonylContact C-O 3.38Å; Y88-I100 WeakPolarHBondContact CA-O 3.35Å; Y88-I100 WeakPolarHBondContact CB-O 3.31Å; Y88-P101 HydrophobicContact CD1-CB 3.87Å; Y88-P101 HydrophobicContact CE1-CB 3.86Å; Y88-F124 CarbonylContact O-C 2.92Å; Y88-F124 WeakPolarHBondContact O-CA 3.44Å; Y88-F125 HydrophobicContact CD2-CD1 4.03Å; Y88-F125 PolarHBondContact N-O 2.8Å; Y88-F125 PolarHBondContact O-N 3.08Å
89I97.7Very high94.4Very high1 Ų164.1 Ų64.11%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-126.9144172.8-172.1169.9000110.9I78 F93 I100 L102 L113 Y122 F124I78-I89 HydrophobicContact CB-CD1 4.18Å; I78-I89 HydrophobicContact CD1-CD1 3.6Å; I78-I89 HydrophobicContact CG1-CD1 4.49Å; I78-I89 HydrophobicContact CG2-CD1 3.57Å; I89-F93 HydrophobicContact CD1-CZ 4.41Å; I89-F93 HydrophobicContact CG1-CZ 4.31Å; I89-I100 HydrophobicContact CG2-CB 3.9Å; I89-I100 PolarHBondContact N-O 3.12Å; I89-I100 PolarHBondContact O-N 2.96Å; I89-L102 HydrophobicContact CB-CD1 3.69Å; I89-L102 HydrophobicContact CG2-CD1 3.51Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; I89-Y122 HydrophobicContact CD1-CD2 3.56Å; I89-Y122 HydrophobicContact CD1-CE2 4.31Å; I89-Y122 HydrophobicContact CD1-CG 4.06Å; I89-Y122 HydrophobicContact CG1-CD2 4.17Å; I89-F124 HydrophobicContact CB-CD1 4.39Å; I89-F124 HydrophobicContact CD1-CE1 4.15Å
90A97.4Very high94.4Very high1 Ų159.7 Ų59.71%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-137.6154.6166.600000109.1W96 Y122 K123 W130A90-W96 HydrophobicContact CB-CE3 4.19Å; A90-W96 WeakPolarHBondContact O-CZ3 3.35Å; A90-Y122 CarbonylContact O-C 3.6Å; A90-Y122 VanDerWaalsContact O-CA 3.32Å; A90-Y122 WeakPolarHBondContact O-CA 3.45Å; A90-K123 PolarHBondContact N-O 2.96Å; A90-K123 VanDerWaalsContact N-O 3.12Å; A90-K123 PolarHBondContact O-N 2.83Å; A90-W130 HydrophobicContact CB-CH2 3.86Å; A90-W130 HydrophobicContact CB-CZ3 4.19Å
91G96.1Very high94.4Very high0 Ų062.7 Ų62.70%035%0.352CS..EExtended strand (participates in β ladder)trans-167-173.4-177.800000114F93 N94 N95 W96 Q121G91-F93 PolarHBondContact O-N 2.66Å; G91-N94 PolarHBondContact N-OD1 3.12Å; G91-N94 VanDerWaalsContact N-OD1 3.08Å; G91-N94 PolarHBondContact O-N 2.87Å; G91-N94 PolarHBondContact O-OD1 2.91Å; G91-N95 PolarHBondContact O-N 2.81Å; G91-W96 PolarHBondContact O-N 2.94Å; G91-Q121 CarbonylContact C-O 3.54Å; G91-Q121 WeakPolarHBondContact CA-O 3.38Å
92S95.1Very high94.5Very high42 Ų4260.4 Ų60.429%0.29433%0.331SS..G310 helixtrans-58.2-36.4177.752.10000112.3N94 N95 H120 Q121S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 VanDerWaalsContact O-N 3.16Å; S92-N95 PolarHBondContact O-N 2.76Å; S92-N95 VanDerWaalsContact O-N 3.11Å; S92-H120 WeakPolarHBondContact OG-CA 3.34Å; S92-Q121 PolarHBondContact N-O 3.33Å; S92-Q121 PolarHBondContact OG-N 3.31Å; S92-Q121 VanDerWaalsContact OG-N 3.09Å; S92-Q121 PolarHBondContact OG-O 3.23Å
93F93.9Very high94.8Very high54 Ų5465.3 Ų65.324%0.23735%0.351CS..G310 helixtrans-63.1-19.8-179.354.5-101.3000114.4I89 G91 I100 L113 L115 H120I89-F93 HydrophobicContact CD1-CZ 4.41Å; I89-F93 HydrophobicContact CG1-CZ 4.31Å; G91-F93 PolarHBondContact O-N 2.66Å; F93-I100 HydrophobicContact CE2-CD1 3.83Å; F93-L113 HydrophobicContact CD2-CD1 4.33Å; F93-L113 HydrophobicContact CE1-CD1 4.15Å; F93-L113 HydrophobicContact CE2-CD1 3.6Å; F93-L113 HydrophobicContact CZ-CD1 3.48Å; F93-L113 VanDerWaalsContact CZ-CD1 3.48Å; F93-L115 HydrophobicContact CB-CD2 3.57Å; F93-L115 HydrophobicContact CD1-CD1 4.49Å; F93-L115 HydrophobicContact CD1-CD2 3.7Å; F93-L115 HydrophobicContact CD2-CD2 4.28Å; F93-L115 HydrophobicContact CE1-CD2 4.48Å; F93-L115 HydrophobicContact CG-CD2 3.58Å; F93-H120 HydrophobicContact CD1-CB 4.45Å
94N93.1Very high95Very high25 Ų2568.7 Ų68.713%0.13435%0.349CS..G310 helixtrans-122.323174.674.9-4.3000112.8G91 S92 W96 S97 N98G91-N94 PolarHBondContact N-OD1 3.12Å; G91-N94 VanDerWaalsContact N-OD1 3.08Å; G91-N94 PolarHBondContact O-N 2.87Å; G91-N94 PolarHBondContact O-OD1 2.91Å; S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 VanDerWaalsContact O-N 3.16Å; N94-W96 PolarHBondContact O-N 2.86Å; N94-W96 VanDerWaalsContact O-N 3.09Å; N94-W96 PolarHBondContact OD1-N 3.48Å; N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.09Å; N94-S97 PolarHBondContact O-OG 3.42Å; N94-N98 PolarHBondContact ND2-O 2.85Å
95N93.9Very high95Very high140 Ų14071 Ų7175%0.74936%0.362SS*.THydrogen-bonded Turntrans51.829.9-178.3-61.7-44.8000113.6G91 S92 S97G91-N95 PolarHBondContact O-N 2.81Å; S92-N95 PolarHBondContact O-N 2.76Å; S92-N95 VanDerWaalsContact O-N 3.11Å; N95-S97 PolarHBondContact O-N 3.04Å
96W93.7Very high94.7Very high105 Ų10571.4 Ų71.440%0.39837%0.366SS..THydrogen-bonded Turntrans55.417.3-176-55.289.8000114.6A90 G91 N94 Q121 K123 N147A90-W96 HydrophobicContact CB-CE3 4.19Å; A90-W96 WeakPolarHBondContact O-CZ3 3.35Å; G91-W96 PolarHBondContact O-N 2.94Å; N94-W96 PolarHBondContact O-N 2.86Å; N94-W96 VanDerWaalsContact O-N 3.09Å; N94-W96 PolarHBondContact OD1-N 3.48Å; W96-Q121 HydrophobicContact CZ2-CB 3.97Å; W96-K123 HydrophobicContact CH2-CB 4.14Å; W96-K123 HydrophobicContact CZ3-CB 3.76Å; W96-N147 HydrophobicContact CH2-CB 4.24Å; W96-N147 WeakPolarHBondContact CH2-ND2 3.4Å; W96-N147 WeakPolarHBondContact CZ2-ND2 3.26Å
97S89.8Confident94.4Very high79 Ų7972.2 Ų72.255%0.55237%0.374SS*.  trans-84-39.7-167.861.60000113.1N94 N95N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.09Å; N94-S97 PolarHBondContact O-OG 3.42Å; N95-S97 PolarHBondContact O-N 3.04Å
98N93.3Very high94.2Very high114 Ų11473.8 Ų73.861%0.6138%0.382SS*.SBendtrans-124150.4-175.6-67.7-36000110.9N94N94-N98 PolarHBondContact ND2-O 2.85Å
99K95.8Very high94.1Very high92 Ų9271.2 Ų71.240%0.437%0.372SS..  trans-96.5113.8173.6-69.8-178.7-173177.30108.9Y88 F125Y88-K99 HydrophobicContact CD1-CB 3.94Å; Y88-K99 HydrophobicContact CG-CB 4.01Å; K99-F125 HydrophobicContact CD-CB 4.29Å; K99-F125 HydrophobicContact CD-CD1 3.85Å; K99-F125 HydrophobicContact CD-CE1 4.36Å; K99-F125 HydrophobicContact CD-CG 4.03Å; K99-F125 VanDerWaalsContact NZ-CD1 3.29Å; K99-F125 VanDerWaalsContact NZ-CE2 3.25Å
100I97.1Very high94.1Very high50 Ų5073.1 Ų73.126%0.25638%0.384SS..EExtended strand (participates in β ladder)trans-85.4122178-54.9177.4000107.9Y88 I89 F93 L113Y88-I100 CarbonylContact C-O 3.38Å; Y88-I100 WeakPolarHBondContact CA-O 3.35Å; Y88-I100 WeakPolarHBondContact CB-O 3.31Å; I89-I100 HydrophobicContact CG2-CB 3.9Å; I89-I100 PolarHBondContact N-O 3.12Å; I89-I100 PolarHBondContact O-N 2.96Å; F93-I100 HydrophobicContact CE2-CD1 3.83Å; I100-L113 HydrophobicContact CD1-CD1 4.29Å; I100-L113 HydrophobicContact CD1-CD2 3.97Å; I100-L113 HydrophobicContact CG2-CD2 4.33Å
101P97Very high94Very high84 Ų8473.3 Ų73.355%0.54539%0.386SS..EExtended strand (participates in β ladder)trans-69.3139178.928.2-33.6000111.1Y88Y88-P101 HydrophobicContact CD1-CB 3.87Å; Y88-P101 HydrophobicContact CE1-CB 3.86Å
102L97.5Very high94Very high14 Ų1478.9 Ų78.97%0.07341%0.414CS..PPolyproline II helixtrans-89.1144.6171.9-83.767.7000110.6W80 V87 I89 F109 A111 F124W80-L102 HydrophobicContact CB-CD2 4.14Å; V87-L102 HydrophobicContact CB-CB 4.41Å; V87-L102 HydrophobicContact CG1-CB 4.33Å; V87-L102 HydrophobicContact CG1-CD1 4.39Å; V87-L102 HydrophobicContact CG1-CD2 3.92Å; V87-L102 HydrophobicContact CG1-CG 4.43Å; V87-L102 PolarHBondContact O-N 2.82Å; I89-L102 HydrophobicContact CB-CD1 3.69Å; I89-L102 HydrophobicContact CG2-CD1 3.51Å; L102-F109 HydrophobicContact CB-CB 3.82Å; L102-F109 HydrophobicContact CB-CD1 4.35Å; L102-F109 HydrophobicContact CD2-CB 3.8Å; L102-F109 HydrophobicContact CG-CB 4.45Å; L102-A111 HydrophobicContact CD1-CB 4.35Å; L102-A111 HydrophobicContact CG-CB 4.02Å; L102-F124 HydrophobicContact CD2-CD1 4.21Å; L102-F124 HydrophobicContact CD2-CE1 3.82Å
103N96.3Very high94Very high128 Ų12878 Ų7868%0.68441%0.406SS*.EExtended strand (participates in β ladder)trans-78.8123.3174.2-68.5-48.1000109.8F109 V110N103-F109 WeakPolarHBondContact O-CA 3.45Å; N103-V110 PolarHBondContact N-O 2.86Å; N103-V110 PolarHBondContact O-N 2.93Å
104K95.1Very high94.1Very high134 Ų13480.7 Ų80.758%0.58342%0.423SS*.EExtended strand (participates in β ladder)trans-77.6122177.5-173.5169.6-174.1165.20110.8G84 F109G84-K104 PolarHBondContact O-NZ 2.84Å; K104-F109 HydrophobicContact CB-CD1 3.83Å; K104-F109 HydrophobicContact CB-CE1 3.55Å; K104-F109 HydrophobicContact CB-CZ 4.19Å; K104-F109 HydrophobicContact CD-CE1 3.72Å; K104-F109 HydrophobicContact CD-CE2 4.39Å; K104-F109 HydrophobicContact CD-CZ 3.54Å; K104-F109 HydrophobicContact CG-CD1 4.17Å; K104-F109 HydrophobicContact CG-CE1 3.65Å; K104-F109 HydrophobicContact CG-CE2 4.32Å; K104-F109 HydrophobicContact CG-CZ 3.73Å
105S89.4Confident94.2Very high69 Ų6979.5 Ų79.548%0.48342%0.417SS..  trans-95.7-167.3163.8-170.10000109.9D108S105-D108 WeakPolarHBondContact CA-O 3.27Å; S105-D108 VanDerWaalsContact CB-O 3.27Å; S105-D108 WeakPolarHBondContact CB-O 3.4Å; S105-D108 PolarHBondContact N-O 2.98Å
106H85.7Confident94.3Very high181 Ų18174.9 Ų74.984%0.83839%0.394SS*.SBendtrans-63.4-48.2-179.6-67.781.9000112
107N88.1Confident94.3Very high135 Ų13573.5 Ų73.572%0.72239%0.392SS*.SBendtrans-115.5-22.6-179-742.1000113.9
108D93.5Very high94.5Very high39 Ų3971.3 Ų71.321%0.20938%0.382CS..  trans-121.9154.3-168.8-58.9-17.2000111.1R79 S105 V110R79-D108 WeakPolarHBondContact CD-OD2 3.39Å; R79-D108 HydrophobicContact CG-CB 4.06Å; R79-D108 IonicContact CZ-OD2 3.95Å; R79-D108 IonicContact NH1-OD2 3.96Å; R79-D108 PolarHBondContact NH1-OD2 3.5Å; R79-D108 VanDerWaalsContact NH1-OD2 3.12Å; S105-D108 WeakPolarHBondContact CA-O 3.27Å; S105-D108 VanDerWaalsContact CB-O 3.27Å; S105-D108 WeakPolarHBondContact CB-O 3.4Å; S105-D108 PolarHBondContact N-O 2.98Å; D108-V110 HydrophobicContact CB-CG2 4.35Å
109F97.1Very high94.7Very high8 Ų872.3 Ų72.34%0.03538%0.383CS..EExtended strand (participates in β ladder)trans-106.8132.5166.4-70.9-99.1000108.7R79 W80 G84 V87 L102 N103 K104R79-F109 CarbonylContact C-O 3.55Å; R79-F109 WeakPolarHBondContact CA-O 3.17Å; W80-F109 HydrophobicContact CB-CB 4.16Å; W80-F109 AromaticContact CD1-CD2 3.94Å; W80-F109 PolarHBondContact N-O 2.85Å; W80-F109 PolarHBondContact O-N 2.94Å; G84-F109 VanDerWaalsContact O-CZ 3.31Å; G84-F109 WeakPolarHBondContact O-CZ 3.5Å; V87-F109 HydrophobicContact CB-CB 4.2Å; V87-F109 HydrophobicContact CB-CD1 3.64Å; V87-F109 HydrophobicContact CB-CD2 4.44Å; V87-F109 HydrophobicContact CB-CE1 4.02Å; V87-F109 HydrophobicContact CB-CG 3.86Å; V87-F109 HydrophobicContact CG1-CB 4.24Å; V87-F109 HydrophobicContact CG1-CG 4.39Å; V87-F109 HydrophobicContact CG2-CB 4.39Å; V87-F109 HydrophobicContact CG2-CD1 3.63Å; V87-F109 HydrophobicContact CG2-CD2 3.75Å; V87-F109 HydrophobicContact CG2-CE1 3.64Å; V87-F109 HydrophobicContact CG2-CE2 3.77Å; V87-F109 HydrophobicContact CG2-CG 3.67Å; V87-F109 HydrophobicContact CG2-CZ 3.71Å; L102-F109 HydrophobicContact CB-CB 3.82Å; L102-F109 HydrophobicContact CB-CD1 4.35Å; L102-F109 HydrophobicContact CD2-CB 3.8Å; L102-F109 HydrophobicContact CG-CB 4.45Å; N103-F109 WeakPolarHBondContact O-CA 3.45Å; K104-F109 HydrophobicContact CB-CD1 3.83Å; K104-F109 HydrophobicContact CB-CE1 3.55Å; K104-F109 HydrophobicContact CB-CZ 4.19Å; K104-F109 HydrophobicContact CD-CE1 3.72Å; K104-F109 HydrophobicContact CD-CE2 4.39Å; K104-F109 HydrophobicContact CD-CZ 3.54Å; K104-F109 HydrophobicContact CG-CD1 4.17Å; K104-F109 HydrophobicContact CG-CE1 3.65Å; K104-F109 HydrophobicContact CG-CE2 4.32Å; K104-F109 HydrophobicContact CG-CZ 3.73Å
110V96.8Very high94.7Very high41 Ų4168.7 Ų68.725%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-134.4141.2-173.3-176.10000111.6V77 I78 R79 N103 D108V77-V110 HydrophobicContact CG1-CG1 3.85Å; I78-V110 WeakPolarHBondContact O-CA 3.34Å; R79-V110 HydrophobicContact CB-CG2 4.4Å; R79-V110 HydrophobicContact CG-CG2 4.07Å; N103-V110 PolarHBondContact N-O 2.86Å; N103-V110 PolarHBondContact O-N 2.93Å; D108-V110 HydrophobicContact CB-CG2 4.35Å
111A95.9Very high94.7Very high6 Ų669.1 Ų69.15%0.0537%0.368CS..EExtended strand (participates in β ladder)trans-130.2143163.400000109.6I78 L102 L113I78-A111 PolarHBondContact N-O 2.85Å; I78-A111 PolarHBondContact O-N 2.88Å; L102-A111 HydrophobicContact CD1-CB 4.35Å; L102-A111 HydrophobicContact CG-CB 4.02Å; A111-L113 HydrophobicContact CB-CD2 4.43Å; A111-L113 HydrophobicContact CB-CG 4.4Å
112I96.3Very high94.7Very high116 Ų11665.4 Ų65.460%0.59534%0.343SS*.EExtended strand (participates in β ladder)trans-108.6116.7169.6-55.4179.5000106P75 T76 V77P75-I112 HydrophobicContact CB-CG2 3.88Å; T76-I112 WeakPolarHBondContact O-CA 3.49Å; V77-I112 HydrophobicContact CG2-CG1 4.33Å
113L95.7Very high94.7Very high24 Ų2466.1 Ų66.113%0.12635%0.346CS..EExtended strand (participates in β ladder)trans-119.4132.7-177.8-58.5-179000109.3T76 I78 I89 F93 I100 A111 L115T76-L113 WeakPolarHBondContact CB-O 3.27Å; T76-L113 PolarHBondContact N-O 2.75Å; T76-L113 PolarHBondContact O-N 2.9Å; I78-L113 HydrophobicContact CD1-CD1 3.95Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; F93-L113 HydrophobicContact CD2-CD1 4.33Å; F93-L113 HydrophobicContact CE1-CD1 4.15Å; F93-L113 HydrophobicContact CE2-CD1 3.6Å; F93-L113 HydrophobicContact CZ-CD1 3.48Å; F93-L113 VanDerWaalsContact CZ-CD1 3.48Å; I100-L113 HydrophobicContact CD1-CD1 4.29Å; I100-L113 HydrophobicContact CD1-CD2 3.97Å; I100-L113 HydrophobicContact CG2-CD2 4.33Å; A111-L113 HydrophobicContact CB-CD2 4.43Å; A111-L113 HydrophobicContact CB-CG 4.4Å; L113-L115 HydrophobicContact CB-CD2 4.09Å; L113-L115 HydrophobicContact CB-CG 4.24Å; L113-L115 PolarHBondContact O-N 2.81Å
114D95.3Very high94.8Very high110 Ų11060 Ų6059%0.58831%0.313SS*.EExtended strand (participates in β ladder)trans-76.2107.8171.9-67.2-33.2000109.1A73 R74 P75A73-D114 HydrophobicContact CB-CB 3.84Å; R74-D114 WeakPolarHBondContact O-CA 3.43Å; P75-D114 VanDerWaalsContact CA-OD1 3.31Å; P75-D114 WeakPolarHBondContact CA-OD1 3.38Å
115L95.3Very high94.9Very high1 Ų155.2 Ų55.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-112.7134.9-179.1-59.2-174.7000110A73 R74 T76 F93 L113 H120 I150 V152A73-L115 WeakPolarHBondContact CA-O 3.31Å; R74-L115 PolarHBondContact N-O 3.2Å; R74-L115 PolarHBondContact O-N 3.46Å; T76-L115 HydrophobicContact CG2-CD1 4.07Å; F93-L115 HydrophobicContact CB-CD2 3.57Å; F93-L115 HydrophobicContact CD1-CD1 4.49Å; F93-L115 HydrophobicContact CD1-CD2 3.7Å; F93-L115 HydrophobicContact CD2-CD2 4.28Å; F93-L115 HydrophobicContact CE1-CD2 4.48Å; F93-L115 HydrophobicContact CG-CD2 3.58Å; L113-L115 HydrophobicContact CB-CD2 4.09Å; L113-L115 HydrophobicContact CB-CG 4.24Å; L113-L115 PolarHBondContact O-N 2.81Å; L115-H120 HydrophobicContact CD1-CB 4.42Å; L115-I150 HydrophobicContact CD1-CG2 4.35Å; L115-V152 HydrophobicContact CB-CG2 4.16Å; L115-V152 HydrophobicContact CD1-CG2 4.35Å
116P94.7Very high95.3Very high42 Ų4252.4 Ų52.427%0.27327%0.272SS..  trans-67.9159.2170.930.9-34.3000110.4P71 H120P71-P116 HydrophobicContact CB-CB 3.74Å; P116-H120 PolarHBondContact O-NE2 2.87Å
117E94.3Very high95.8Very high77 Ų7747.9 Ų47.936%0.3625%0.254SS..SBendtrans-55.5142.1173.7-67.4167.3-149.200112.1R74 V152 K154R74-E117 IonicContact CZ-OE1 3.91Å; R74-E117 IonicContact NE-OE1 4Å; R74-E117 IonicContact NH2-OE1 3.93Å; E117-V152 WeakPolarHBondContact CA-O 3.43Å; E117-K154 HydrophobicContact CG-CG 4.28Å; E117-K154 WeakPolarHBondContact OE1-CE 3.33Å; E117-K154 WeakPolarHBondContact OE1-CG 3.22Å; E117-K154 WeakPolarHBondContact OE2-CE 3.46Å; E117-K154 WeakPolarHBondContact OE2-CG 3.1Å
118G94.9Very high96.1Very high32 Ų3243.8 Ų43.833%0.3324%0.244SC..EExtended strand (participates in β ladder)trans126.8-168.9-179.200000113.2V152G118-V152 PolarHBondContact N-O 2.92Å; G118-V152 PolarHBondContact O-N 2.7Å
119E96.4Very high96.2Very high135 Ų13548.2 Ų48.263%0.63126%0.263SS*.EExtended strand (participates in β ladder)trans-92.8128.8-178.4-73.7-176.1179.600111.4L149 I150 T151E119-L149 HydrophobicContact CB-CD1 3.96Å; E119-L149 HydrophobicContact CG-CD1 4.33Å; E119-I150 WeakPolarHBondContact CA-O 3.34Å; E119-T151 HydrophobicContact CG-CG2 4.38Å
120H96.6Very high96.1Very high17 Ų1753.1 Ų53.18%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-123.6128.7177.3-60.8-80.4000110.6S92 F93 L115 P116 I150S92-H120 WeakPolarHBondContact OG-CA 3.34Å; F93-H120 HydrophobicContact CD1-CB 4.45Å; L115-H120 HydrophobicContact CD1-CB 4.42Å; P116-H120 PolarHBondContact O-NE2 2.87Å; H120-I150 HydrophobicContact CB-CG2 3.85Å; H120-I150 PolarHBondContact N-O 3.03Å; H120-I150 PolarHBondContact O-N 3.3Å
121Q97.1Very high96.1Very high59 Ų5954.1 Ų54.128%0.27629%0.285SS..EExtended strand (participates in β ladder)trans-93.3137.8173.3-64.4-175.322.700109.5G91 S92 W96 V139 N147 N148 L149G91-Q121 CarbonylContact C-O 3.54Å; G91-Q121 WeakPolarHBondContact CA-O 3.38Å; S92-Q121 PolarHBondContact N-O 3.33Å; S92-Q121 PolarHBondContact OG-N 3.31Å; S92-Q121 VanDerWaalsContact OG-N 3.09Å; S92-Q121 PolarHBondContact OG-O 3.23Å; W96-Q121 HydrophobicContact CZ2-CB 3.97Å; Q121-V139 VanDerWaalsContact CD-CG1 3.49Å; Q121-V139 HydrophobicContact CG-CG1 3.71Å; Q121-N147 HydrophobicContact CB-CB 4.29Å; Q121-N147 PolarHBondContact OE1-ND2 2.88Å; Q121-N148 CarbonylContact C-O 3.56Å; Q121-N148 VanDerWaalsContact CA-O 3.29Å; Q121-N148 WeakPolarHBondContact CA-O 3.2Å; Q121-L149 HydrophobicContact CG-CD1 4.18Å
122Y97.3Very high96.2Very high5 Ų557 Ų572%0.0230%0.298CS..EExtended strand (participates in β ladder)trans-145.8164.1178.869.2-83.8000112.1I78 I89 A90 F124 N148 I150I78-Y122 HydrophobicContact CG2-CD2 4.28Å; I78-Y122 HydrophobicContact CG2-CE2 3.82Å; I89-Y122 HydrophobicContact CD1-CD2 3.56Å; I89-Y122 HydrophobicContact CD1-CE2 4.31Å; I89-Y122 HydrophobicContact CD1-CG 4.06Å; I89-Y122 HydrophobicContact CG1-CD2 4.17Å; A90-Y122 CarbonylContact O-C 3.6Å; A90-Y122 VanDerWaalsContact O-CA 3.32Å; A90-Y122 WeakPolarHBondContact O-CA 3.45Å; Y122-F124 HydrophobicContact CD2-CE2 4.15Å; Y122-F124 HydrophobicContact CD2-CZ 4.21Å; Y122-F124 HydrophobicContact CE2-CD2 4.43Å; Y122-F124 AromaticContact CE2-CE2 3.55Å; Y122-F124 HydrophobicContact CE2-CE2 3.55Å; Y122-F124 AromaticContact CE2-CZ 3.65Å; Y122-F124 HydrophobicContact CE2-CZ 3.65Å; Y122-N148 HydrophobicContact CD1-CB 3.9Å; Y122-N148 HydrophobicContact CD2-CB 4.01Å; Y122-N148 HydrophobicContact CE1-CB 3.42Å; Y122-N148 VanDerWaalsContact CE1-CB 3.42Å; Y122-N148 HydrophobicContact CE2-CB 3.56Å; Y122-N148 HydrophobicContact CG-CB 4.18Å; Y122-N148 PolarHBondContact N-O 2.84Å; Y122-N148 PolarHBondContact O-N 2.76Å; Y122-I150 HydrophobicContact CD1-CB 4.46Å; Y122-I150 HydrophobicContact CD1-CG2 3.99Å; Y122-I150 HydrophobicContact CE1-CB 3.93Å; Y122-I150 HydrophobicContact CE1-CG2 3.94Å
123K97.2Very high96.2Very high30 Ų3052.2 Ų52.213%0.1327%0.273CS..EExtended strand (participates in β ladder)trans-150.4147.3176.8-157.9168.7-171161.60111.2A90 W96 W130 L131 I146A90-K123 PolarHBondContact N-O 2.96Å; A90-K123 VanDerWaalsContact N-O 3.12Å; A90-K123 PolarHBondContact O-N 2.83Å; W96-K123 HydrophobicContact CH2-CB 4.14Å; W96-K123 HydrophobicContact CZ3-CB 3.76Å; K123-W130 HydrophobicContact CB-CE3 3.95Å; K123-W130 HydrophobicContact CB-CZ3 4.09Å; K123-W130 HydrophobicContact CD-CB 4.18Å; K123-W130 HydrophobicContact CD-CE3 4.03Å; K123-W130 HydrophobicContact CG-CE3 3.88Å; K123-L131 WeakPolarHBondContact CG-O 3.32Å; K123-I146 WeakPolarHBondContact CE-O 3.31Å; K123-I146 PolarHBondContact NZ-O 3.29Å
124F98Very high96.2Very high0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-90.8142.5177.5-62-78.6000111.2I78 W80 V87 Y88 I89 L102 Y122 V126 W130 L131 D133I78-F124 HydrophobicContact CG2-CE1 4.05Å; I78-F124 HydrophobicContact CG2-CZ 3.74Å; W80-F124 HydrophobicContact CB-CD1 4.08Å; W80-F124 HydrophobicContact CB-CE1 3.8Å; W80-F124 HydrophobicContact CB-CZ 4.06Å; W80-F124 HydrophobicContact CD2-CD2 4.33Å; W80-F124 HydrophobicContact CD2-CG 4.26Å; W80-F124 HydrophobicContact CE3-CB 4.29Å; W80-F124 HydrophobicContact CE3-CD1 4.34Å; W80-F124 AromaticContact CE3-CD2 3.41Å; W80-F124 HydrophobicContact CE3-CD2 3.41Å; W80-F124 VanDerWaalsContact CE3-CD2 3.41Å; W80-F124 AromaticContact CE3-CE2 3.68Å; W80-F124 HydrophobicContact CE3-CE2 3.68Å; W80-F124 AromaticContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CZ 4.26Å; W80-F124 HydrophobicContact CG-CD1 4.48Å; W80-F124 AromaticContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CE2 4.31Å; W80-F124 HydrophobicContact CZ3-CG 4.3Å; V87-F124 HydrophobicContact CG1-CD1 4.25Å; Y88-F124 CarbonylContact O-C 2.92Å; Y88-F124 WeakPolarHBondContact O-CA 3.44Å; I89-F124 HydrophobicContact CB-CD1 4.39Å; I89-F124 HydrophobicContact CD1-CE1 4.15Å; L102-F124 HydrophobicContact CD2-CD1 4.21Å; L102-F124 HydrophobicContact CD2-CE1 3.82Å; Y122-F124 HydrophobicContact CD2-CE2 4.15Å; Y122-F124 HydrophobicContact CD2-CZ 4.21Å; Y122-F124 HydrophobicContact CE2-CD2 4.43Å; Y122-F124 AromaticContact CE2-CE2 3.55Å; Y122-F124 HydrophobicContact CE2-CE2 3.55Å; Y122-F124 AromaticContact CE2-CZ 3.65Å; Y122-F124 HydrophobicContact CE2-CZ 3.65Å; F124-V126 HydrophobicContact CB-CG2 4.05Å; F124-W130 CarbonylContact O-C 3.4Å; F124-W130 WeakPolarHBondContact O-CA 3.29Å; F124-L131 PolarHBondContact N-O 3.11Å; F124-L131 PolarHBondContact O-N 3.09Å; F124-D133 HydrophobicContact CE2-CB 4.06Å
125F97.5Very high96.2Very high33 Ų3355.5 Ų55.515%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-114.3102.8169.3-172.3-98.7000108.2Y88 K99 G128 Q129 W130Y88-F125 HydrophobicContact CD2-CD1 4.03Å; Y88-F125 PolarHBondContact N-O 2.8Å; Y88-F125 PolarHBondContact O-N 3.08Å; K99-F125 HydrophobicContact CD-CB 4.29Å; K99-F125 HydrophobicContact CD-CD1 3.85Å; K99-F125 HydrophobicContact CD-CE1 4.36Å; K99-F125 HydrophobicContact CD-CG 4.03Å; K99-F125 VanDerWaalsContact NZ-CD1 3.29Å; K99-F125 VanDerWaalsContact NZ-CE2 3.25Å; F125-G128 VanDerWaalsContact CE2-C 3.43Å; F125-G128 VanDerWaalsContact CE2-O 3.26Å; F125-G128 WeakPolarHBondContact CE2-O 3.28Å; F125-G128 WeakPolarHBondContact CZ-O 3.25Å; F125-Q129 CarbonylContact C-O 3.52Å; F125-Q129 WeakPolarHBondContact CA-O 3.46Å; F125-W130 HydrophobicContact CB-CD2 4.37Å; F125-W130 HydrophobicContact CB-CE3 4.03Å; F125-W130 HydrophobicContact CB-CH2 4.27Å; F125-W130 HydrophobicContact CB-CZ3 3.98Å; F125-W130 AromaticContact CD2-CD1 3.97Å; F125-W130 AromaticContact CD2-CD2 3.72Å; F125-W130 HydrophobicContact CD2-CD2 3.72Å; F125-W130 AromaticContact CD2-CE2 3.61Å; F125-W130 HydrophobicContact CD2-CE3 4.25Å; F125-W130 AromaticContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CZ2 4.08Å; F125-W130 AromaticContact CD2-NE1 3.76Å; F125-W130 AromaticContact CE2-NE1 3.96Å
126V97.3Very high96.2Very high10 Ų1059.5 Ų59.56%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-114.1119.9-172.4-178.60000108.6W80 V87 F124 G128 Q129 L131W80-V126 HydrophobicContact CD2-CG2 4.44Å; W80-V126 HydrophobicContact CZ2-CG2 3.89Å; V87-V126 HydrophobicContact CG1-CG2 4.07Å; V87-V126 HydrophobicContact CG2-CG1 4.17Å; V87-V126 HydrophobicContact CG2-CG2 4.21Å; F124-V126 HydrophobicContact CB-CG2 4.05Å; V126-G128 PolarHBondContact O-N 2.95Å; V126-Q129 PolarHBondContact N-O 2.86Å; V126-Q129 PolarHBondContact O-N 2.96Å; V126-L131 HydrophobicContact CB-CD1 3.91Å; V126-L131 HydrophobicContact CG1-CD1 4.43Å; V126-L131 HydrophobicContact CG2-CD1 4.1Å
127D95.8Very high96.3Very high85 Ų8561.2 Ų61.246%0.45533%0.334SS..THydrogen-bonded Turntrans47.937.8175-63.3-20.1000114.2G84 K85 E86G84-D127 WeakPolarHBondContact CA-OD2 3.5Å; K85-D127 WeakPolarHBondContact CA-OD1 3.26Å; K85-D127 WeakPolarHBondContact CB-OD1 3.49Å; K85-D127 PolarHBondContact N-OD1 2.82Å; K85-D127 PolarHBondContact N-OD2 2.96Å; K85-D127 VanDerWaalsContact N-OD2 3.14Å; E86-D127 PolarHBondContact N-OD1 3.28Å; E86-D127 PolarHBondContact O-N 3.09Å
128G94.9Very high96.5Very high50 Ų5061.1 Ų61.152%0.51534%0.339SS..THydrogen-bonded Turntrans95.9-4.8179.200000115.5F125 V126F125-G128 VanDerWaalsContact CE2-C 3.43Å; F125-G128 VanDerWaalsContact CE2-O 3.26Å; F125-G128 WeakPolarHBondContact CE2-O 3.28Å; F125-G128 WeakPolarHBondContact CZ-O 3.25Å; V126-G128 PolarHBondContact O-N 2.95Å
129Q95.9Very high96.6Very high131 Ų13161.7 Ų61.761%0.61234%0.336SS*.EExtended strand (participates in β ladder)trans-119.9142.5-174-60.8-171.2-5.300112.7F125 V126F125-Q129 CarbonylContact C-O 3.52Å; F125-Q129 WeakPolarHBondContact CA-O 3.46Å; V126-Q129 PolarHBondContact N-O 2.86Å; V126-Q129 PolarHBondContact O-N 2.96Å
130W96.1Very high96.5Very high112 Ų11259.7 Ų59.742%0.42433%0.333SS..EExtended strand (participates in β ladder)trans-84.3114.2175.1-74.6107.4000110.9A90 K123 F124 F125A90-W130 HydrophobicContact CB-CH2 3.86Å; A90-W130 HydrophobicContact CB-CZ3 4.19Å; K123-W130 HydrophobicContact CB-CE3 3.95Å; K123-W130 HydrophobicContact CB-CZ3 4.09Å; K123-W130 HydrophobicContact CD-CB 4.18Å; K123-W130 HydrophobicContact CD-CE3 4.03Å; K123-W130 HydrophobicContact CG-CE3 3.88Å; F124-W130 CarbonylContact O-C 3.4Å; F124-W130 WeakPolarHBondContact O-CA 3.29Å; F125-W130 HydrophobicContact CB-CD2 4.37Å; F125-W130 HydrophobicContact CB-CE3 4.03Å; F125-W130 HydrophobicContact CB-CH2 4.27Å; F125-W130 HydrophobicContact CB-CZ3 3.98Å; F125-W130 AromaticContact CD2-CD1 3.97Å; F125-W130 AromaticContact CD2-CD2 3.72Å; F125-W130 HydrophobicContact CD2-CD2 3.72Å; F125-W130 AromaticContact CD2-CE2 3.61Å; F125-W130 HydrophobicContact CD2-CE3 4.25Å; F125-W130 AromaticContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CZ2 4.08Å; F125-W130 AromaticContact CD2-NE1 3.76Å; F125-W130 AromaticContact CE2-NE1 3.96Å
131L96.6Very high96.2Very high61 Ų6160.7 Ų60.732%0.31934%0.342SS..EExtended strand (participates in β ladder)trans-122.7158.1-178.7-58.4179.9000110.8W80 K123 F124 V126W80-L131 HydrophobicContact CH2-CB 3.94Å; W80-L131 HydrophobicContact CH2-CD1 4.14Å; W80-L131 HydrophobicContact CZ2-CD1 4.08Å; K123-L131 WeakPolarHBondContact CG-O 3.32Å; F124-L131 PolarHBondContact N-O 3.11Å; F124-L131 PolarHBondContact O-N 3.09Å; V126-L131 HydrophobicContact CB-CD1 3.91Å; V126-L131 HydrophobicContact CG1-CD1 4.43Å; V126-L131 HydrophobicContact CG2-CD1 4.1Å
132H96.5Very high95.7Very high67 Ų6767.7 Ų67.731%0.3137%0.374SS..  trans-120.1155.2170.469.5-82.7000108.4P134 N148H132-P134 WeakPolarHBondContact O-CD 3.02Å; H132-N148 VanDerWaalsContact CA-OD1 3.27Å; H132-N148 WeakPolarHBondContact CA-OD1 3.16Å; H132-N148 VanDerWaalsContact CB-OD1 3.31Å; H132-N148 WeakPolarHBondContact CB-OD1 3.48Å
133D96.6Very high95.2Very high15 Ų1575 Ų758%0.0841%0.413CS..  trans-81120.4173.6-166.5-26.1000109.7W80 F124 S135 E136 N148W80-D133 HydrophobicContact CE3-CB 4.29Å; W80-D133 HydrophobicContact CZ3-CB 4.15Å; F124-D133 HydrophobicContact CE2-CB 4.06Å; D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 PolarHBondContact O-N 3.13Å; D133-S135 PolarHBondContact OD1-N 3.22Å; D133-S135 PolarHBondContact OD1-OG 2.8Å; D133-E136 HydrophobicContact CB-CB 4.28Å; D133-E136 HydrophobicContact CB-CG 4.12Å; D133-N148 PolarHBondContact N-OD1 2.96Å; D133-N148 PolarHBondContact O-ND2 3.16Å
134P95.3Very high94.8Very high113 Ų11376.1 Ų76.173%0.73443%0.433SS*.THydrogen-bonded Turntrans-74-14.7179.130.9-36.5000114.4H132H132-P134 WeakPolarHBondContact O-CD 3.02Å
135S95.1Very high94.6Very high91 Ų9179 Ų7964%0.63645%0.451SS*.THydrogen-bonded Turntrans-83-15.6175.964.60000113.4D133D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 PolarHBondContact O-N 3.13Å; D133-S135 PolarHBondContact OD1-N 3.22Å; D133-S135 PolarHBondContact OD1-OG 2.8Å
136E96.5Very high94.5Very high85 Ų8580.7 Ų80.740%0.39746%0.461SS..SBendtrans-100.9153.4-177.1-64.4-60.1141.200111.5D133D133-E136 HydrophobicContact CB-CB 4.28Å; D133-E136 HydrophobicContact CB-CG 4.12Å
137P96.8Very high94.5Very high78 Ų7880.5 Ų80.551%0.50646%0.46SS..  trans-54.6144.2175.2-2534.6000112.6N148 L149P137-N148 CarbonylContact O-C 3.53Å; P137-N148 VanDerWaalsContact O-CA 3.28Å; P137-N148 WeakPolarHBondContact O-CA 3.45Å; P137-N148 PolarHBondContact O-ND2 3.01Å; P137-L149 PolarHBondContact O-N 2.94Å
138V97.4Very high94.6Very high75 Ų7576.5 Ų76.546%0.45544%0.438SS..EExtended strand (participates in β ladder)trans-127.4151179.9-65.30000112.2I146 N147 N148V138-I146 HydrophobicContact CB-CG2 3.92Å; V138-I146 HydrophobicContact CG1-CG2 4.12Å; V138-I146 HydrophobicContact CG2-CG2 4.35Å; V138-N147 CarbonylContact C-O 3.47Å; V138-N147 VanDerWaalsContact CA-O 3.25Å; V138-N147 WeakPolarHBondContact CA-O 3.46Å; V138-N147 WeakPolarHBondContact CB-O 3.43Å; V138-N148 WeakPolarHBondContact CG1-ND2 3.21Å
139V97Very high94.7Very high43 Ų4375.7 Ų75.726%0.26142%0.422SS..EExtended strand (participates in β ladder)trans-130.5141.8172.465.10000109.9Q121 N147 L149Q121-V139 VanDerWaalsContact CD-CG1 3.49Å; Q121-V139 HydrophobicContact CG-CG1 3.71Å; V139-N147 PolarHBondContact N-O 2.92Å; V139-N147 PolarHBondContact O-N 2.81Å; V139-L149 HydrophobicContact CG1-CB 4.28Å
140T96.1Very high94.7Very high94 Ų9471 Ų7158%0.57740%0.401SS*.EExtended strand (participates in β ladder)trans-93.6119.3175-56.50000109.3
141S89.3Confident94.7Very high37 Ų3768.7 Ų68.726%0.25940%0.399SS..  trans-68.8161.6176.2-174.20000111.6L143 G144 T145S141-L143 PolarHBondContact O-N 3.16Å; S141-L143 VanDerWaalsContact O-N 3.09Å; S141-G144 WeakPolarHBondContact O-CA 3.46Å; S141-G144 PolarHBondContact O-N 3.42Å; S141-T145 WeakPolarHBondContact CB-O 3.49Å; S141-T145 WeakPolarHBondContact CB-OG1 3.39Å; S141-T145 PolarHBondContact N-O 3.29Å
142Q85.8Confident94.6Very high206 Ų20666 Ų6696%0.96339%0.385SS*.THydrogen-bonded Turntrans-57.5-26.3177.6-61.5176.715.400113G144Q142-G144 VanDerWaalsContact C-N 3.27Å; Q142-G144 PolarHBondContact O-N 3.37Å
143L87.2Confident94.4Very high158 Ų15867.5 Ų67.583%0.82739%0.391SS*.THydrogen-bonded Turntrans-85.15.7176.7-60.2174.8000113.3S141 T145S141-L143 PolarHBondContact O-N 3.16Å; S141-L143 VanDerWaalsContact O-N 3.09Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 3.09Å
144G89.4Confident94.1Very high55 Ų5573.2 Ų73.257%0.56742%0.415SS*.SBendtrans80.85.7-179.400000114.9S141 Q142S141-G144 WeakPolarHBondContact O-CA 3.46Å; S141-G144 PolarHBondContact O-N 3.42Å; Q142-G144 VanDerWaalsContact C-N 3.27Å; Q142-G144 PolarHBondContact O-N 3.37Å
145T92.8Very high93.7Very high61 Ų6168.8 Ų68.837%0.37439%0.387SS..  trans-82.5130.1177.560.80000111.2S141 L143S141-T145 WeakPolarHBondContact CB-O 3.49Å; S141-T145 WeakPolarHBondContact CB-OG1 3.39Å; S141-T145 PolarHBondContact N-O 3.29Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 3.09Å
146I96.4Very high93.5Very high67 Ų6767.9 Ų67.934%0.34438%0.375SS..EExtended strand (participates in β ladder)trans-83.5125.3172.8-56.2173.1000109K123 V138K123-I146 WeakPolarHBondContact CE-O 3.31Å; K123-I146 PolarHBondContact NZ-O 3.29Å; V138-I146 HydrophobicContact CB-CG2 3.92Å; V138-I146 HydrophobicContact CG1-CG2 4.12Å; V138-I146 HydrophobicContact CG2-CG2 4.35Å
147N97.3Very high93Very high7 Ų766.9 Ų66.94%0.03737%0.369CS..EExtended strand (participates in β ladder)trans-124.8150.8177.1-62.8-23.8000109.1W96 Q121 V138 V139W96-N147 HydrophobicContact CH2-CB 4.24Å; W96-N147 WeakPolarHBondContact CH2-ND2 3.4Å; W96-N147 WeakPolarHBondContact CZ2-ND2 3.26Å; Q121-N147 HydrophobicContact CB-CB 4.29Å; Q121-N147 PolarHBondContact OE1-ND2 2.88Å; V138-N147 CarbonylContact C-O 3.47Å; V138-N147 VanDerWaalsContact CA-O 3.25Å; V138-N147 WeakPolarHBondContact CA-O 3.46Å; V138-N147 WeakPolarHBondContact CB-O 3.43Å; V139-N147 PolarHBondContact N-O 2.92Å; V139-N147 PolarHBondContact O-N 2.81Å
148N97.6Very high92.7Very high0 Ų068.6 Ų68.60%037%0.37CS..EExtended strand (participates in β ladder)trans-72.6152.2167.2-69.4107.6000110.4Q121 Y122 H132 D133 P137 V138Q121-N148 CarbonylContact C-O 3.56Å; Q121-N148 VanDerWaalsContact CA-O 3.29Å; Q121-N148 WeakPolarHBondContact CA-O 3.2Å; Y122-N148 HydrophobicContact CD1-CB 3.9Å; Y122-N148 HydrophobicContact CD2-CB 4.01Å; Y122-N148 HydrophobicContact CE1-CB 3.42Å; Y122-N148 VanDerWaalsContact CE1-CB 3.42Å; Y122-N148 HydrophobicContact CE2-CB 3.56Å; Y122-N148 HydrophobicContact CG-CB 4.18Å; Y122-N148 PolarHBondContact N-O 2.84Å; Y122-N148 PolarHBondContact O-N 2.76Å; H132-N148 VanDerWaalsContact CA-OD1 3.27Å; H132-N148 WeakPolarHBondContact CA-OD1 3.16Å; H132-N148 VanDerWaalsContact CB-OD1 3.31Å; H132-N148 WeakPolarHBondContact CB-OD1 3.48Å; D133-N148 PolarHBondContact N-OD1 2.96Å; D133-N148 PolarHBondContact O-ND2 3.16Å; P137-N148 CarbonylContact O-C 3.53Å; P137-N148 VanDerWaalsContact O-CA 3.28Å; P137-N148 WeakPolarHBondContact O-CA 3.45Å; P137-N148 PolarHBondContact O-ND2 3.01Å; V138-N148 WeakPolarHBondContact CG1-ND2 3.21Å
149L97.4Very high92.4Very high33 Ų3369.8 Ų69.817%0.17338%0.378CS..EExtended strand (participates in β ladder)trans-121.9127.1178.6-178.767.1000109E119 Q121 P137 V139E119-L149 HydrophobicContact CB-CD1 3.96Å; E119-L149 HydrophobicContact CG-CD1 4.33Å; Q121-L149 HydrophobicContact CG-CD1 4.18Å; P137-L149 PolarHBondContact O-N 2.94Å; V139-L149 HydrophobicContact CG1-CB 4.28Å
150I96.5Very high92.1Very high34 Ų3476 Ų7617%0.17440%0.401CS..EExtended strand (participates in β ladder)trans-119.7133.6170.3-173.2163000109.4T76 L115 E119 H120 Y122T76-I150 HydrophobicContact CG2-CD1 3.43Å; T76-I150 VanDerWaalsContact CG2-CD1 3.43Å; T76-I150 HydrophobicContact CG2-CG1 4.45Å; L115-I150 HydrophobicContact CD1-CG2 4.35Å; E119-I150 WeakPolarHBondContact CA-O 3.34Å; H120-I150 HydrophobicContact CB-CG2 3.85Å; H120-I150 PolarHBondContact N-O 3.03Å; H120-I150 PolarHBondContact O-N 3.3Å; Y122-I150 HydrophobicContact CD1-CB 4.46Å; Y122-I150 HydrophobicContact CD1-CG2 3.99Å; Y122-I150 HydrophobicContact CE1-CB 3.93Å; Y122-I150 HydrophobicContact CE1-CG2 3.94Å
151T95.8Very high91.9Very high62 Ų6275 Ų7538%0.3839%0.393SS..EExtended strand (participates in β ladder)trans-107.9116.3176.5-54.30000108.5E119 K153E119-T151 HydrophobicContact CG-CG2 4.38Å; T151-K153 HydrophobicContact CG2-CG 4.06Å
152V95.1Very high92Very high6 Ų674.3 Ų74.34%0.03639%0.389CS..EExtended strand (participates in β ladder)trans-97.5113.3177.7-179.30000108.4T76 L115 E117 G118 F157T76-V152 HydrophobicContact CG2-CG2 4.22Å; L115-V152 HydrophobicContact CB-CG2 4.16Å; L115-V152 HydrophobicContact CD1-CG2 4.35Å; E117-V152 WeakPolarHBondContact CA-O 3.43Å; G118-V152 PolarHBondContact N-O 2.92Å; G118-V152 PolarHBondContact O-N 2.7Å; V152-F157 HydrophobicContact CG1-CE2 3.6Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å
153K92.2Very high92.2Very high98 Ų9869.3 Ų69.343%0.42637%0.368SS..  trans-108.5160.6179.7-58.8175.1-175.2165.40110.9T151 S155 D156 F157T151-K153 HydrophobicContact CG2-CG 4.06Å; K153-S155 VanDerWaalsContact C-N 3.27Å; K153-S155 WeakPolarHBondContact CB-OG 3.31Å; K153-S155 PolarHBondContact O-N 3.48Å; K153-D156 WeakPolarHBondContact CB-OD2 3.3Å; K153-D156 PolarHBondContact N-OD2 3.08Å; K153-D156 PolarHBondContact O-N 3.32Å; K153-F157 VanDerWaalsContact O-CD2 3.22Å; K153-F157 WeakPolarHBondContact O-CD2 3.41Å; K153-F157 WeakPolarHBondContact O-CE2 3.35Å
154K89.2Confident92.2Very high134 Ų13467.5 Ų67.558%0.58336%0.355SS*.G310 helixtrans-57.8-41172.4-72.7-176.2-177.2-171.10112.9R74 E117 D156 F157R74-K154 PolarHBondContact NH1-O 3.48Å; R74-K154 VanDerWaalsContact NH1-O 3.08Å; E117-K154 HydrophobicContact CG-CG 4.28Å; E117-K154 WeakPolarHBondContact OE1-CE 3.33Å; E117-K154 WeakPolarHBondContact OE1-CG 3.22Å; E117-K154 WeakPolarHBondContact OE2-CE 3.46Å; E117-K154 WeakPolarHBondContact OE2-CG 3.1Å; K154-D156 PolarHBondContact O-N 3.05Å; K154-F157 PolarHBondContact O-N 3.32Å
155S88Confident92.1Very high21 Ų2166.9 Ų66.915%0.14734%0.341CS..G310 helixtrans-59.3-27.6-177.948.50000113.2K153 F157 E158 A162K153-S155 VanDerWaalsContact C-N 3.27Å; K153-S155 WeakPolarHBondContact CB-OG 3.31Å; K153-S155 PolarHBondContact O-N 3.48Å; S155-F157 PolarHBondContact O-N 3.33Å; S155-F157 VanDerWaalsContact O-N 3.08Å; S155-E158 PolarHBondContact O-N 3.4Å; S155-E158 VanDerWaalsContact O-O 3.13Å; S155-A162 WeakPolarHBondContact O-CB 3.35Å; S155-A162 PolarHBondContact O-N 3.19Å; S155-A162 VanDerWaalsContact O-N 3.12Å
156D88.9Confident91.9Very high72 Ų7268.2 Ų68.239%0.38535%0.345SS..G310 helixtrans-72.3-8.1-171.2-51.6-18.6000112.7K153 K154K153-D156 WeakPolarHBondContact CB-OD2 3.3Å; K153-D156 PolarHBondContact N-OD2 3.08Å; K153-D156 PolarHBondContact O-N 3.32Å; K154-D156 PolarHBondContact O-N 3.05Å
157F87.6Confident91.4Very high63 Ų6367.4 Ų67.428%0.27635%0.346SS..G310 helixtrans-113-18.8-175.4-58.1-85.2000113.2R74 V152 K153 K154 S155R74-F157 HydrophobicContact CB-CD1 3.84Å; R74-F157 HydrophobicContact CB-CD2 4.39Å; R74-F157 HydrophobicContact CB-CE1 3.24Å; R74-F157 HydrophobicContact CB-CE2 3.82Å; R74-F157 HydrophobicContact CB-CG 4.37Å; R74-F157 HydrophobicContact CB-CZ 3.21Å; R74-F157 HydrophobicContact CG-CD1 4.4Å; R74-F157 HydrophobicContact CG-CD2 4.45Å; R74-F157 HydrophobicContact CG-CE1 4.2Å; R74-F157 HydrophobicContact CG-CE2 4.19Å; R74-F157 HydrophobicContact CG-CZ 4.07Å; V152-F157 HydrophobicContact CG1-CE2 3.6Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å; K153-F157 VanDerWaalsContact O-CD2 3.22Å; K153-F157 WeakPolarHBondContact O-CD2 3.41Å; K153-F157 WeakPolarHBondContact O-CE2 3.35Å; K154-F157 PolarHBondContact O-N 3.32Å; S155-F157 PolarHBondContact O-N 3.33Å; S155-F157 VanDerWaalsContact O-N 3.08Å
158E90.9Very high90.7Very high114 Ų11472 Ų7253%0.53337%0.37SS..SBendtrans-93.9113.8170.5-69.1-56.414800108.2S155 F160 D161 A162S155-E158 PolarHBondContact O-N 3.4Å; S155-E158 VanDerWaalsContact O-O 3.13Å; E158-F160 PolarHBondContact O-N 3.03Å; E158-F160 VanDerWaalsContact O-N 3.14Å; E158-D161 HydrophobicContact CB-CB 3.98Å; E158-D161 PolarHBondContact O-N 3.4Å; E158-A162 PolarHBondContact O-N 3.06Å
159V90.7Very high89.9Confident100 Ų10079.1 Ų79.161%0.60640%0.403SS*.Hα-helixtrans-55.8-39.7-169.8176.80000112.1L163V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.06Å
160F90.8Very high88.6Confident173 Ų17383.1 Ų83.176%0.75943%0.433SS*.Hα-helixtrans-70.2-37.6179.2-64.5-65.3000112.6E158 Q164E158-F160 PolarHBondContact O-N 3.03Å; E158-F160 VanDerWaalsContact O-N 3.14Å; F160-Q164 WeakPolarHBondContact O-CB 3.26Å; F160-Q164 PolarHBondContact O-N 3.1Å
161D90.8Very high86.8Confident75 Ų7582.7 Ų82.740%0.40143%0.433SS..Hα-helixtrans-71.1-42.7179.1-66.2-8.4000110.5E158 Q164 V165E158-D161 HydrophobicContact CB-CB 3.98Å; E158-D161 PolarHBondContact O-N 3.4Å; D161-Q164 WeakPolarHBondContact O-CB 3.39Å; D161-Q164 PolarHBondContact O-N 3.31Å; D161-V165 WeakPolarHBondContact O-CG2 3.36Å; D161-V165 PolarHBondContact O-N 3.31Å
162A91.1Very high84.8Confident21 Ų2186.4 Ų86.417%0.17445%0.45CS..Hα-helixtrans-58.6-50.2174.300000111.1S155 E158 Q164 V165 D166S155-A162 WeakPolarHBondContact O-CB 3.35Å; S155-A162 PolarHBondContact O-N 3.19Å; S155-A162 VanDerWaalsContact O-N 3.12Å; E158-A162 PolarHBondContact O-N 3.06Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 2.95Å; A162-V165 PolarHBondContact O-N 2.95Å; A162-D166 PolarHBondContact O-N 3.32Å
163L90.4Very high82.8Confident102 Ų10290.2 Ų90.253%0.53447%0.474SS..Hα-helixtrans-62.1-34.7177.4-73.1173.5000112.4V159 S167V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.06Å; L163-S167 VanDerWaalsContact O-CB 3.26Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.93Å; L163-S167 PolarHBondContact O-OG 3.31Å
164Q88.3Confident80.9Confident119 Ų11988.6 Ų88.656%0.55648%0.475SS*.Hα-helixtrans-65.7-46.6175.8-175.3175.718.500111.1F160 D161 A162 S167 L168F160-Q164 WeakPolarHBondContact O-CB 3.26Å; F160-Q164 PolarHBondContact O-N 3.1Å; D161-Q164 WeakPolarHBondContact O-CB 3.39Å; D161-Q164 PolarHBondContact O-N 3.31Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 2.95Å; Q164-S167 PolarHBondContact O-N 3.2Å; Q164-S167 PolarHBondContact O-OG 2.97Å; Q164-L168 WeakPolarHBondContact O-CG 3.44Å; Q164-L168 PolarHBondContact O-N 3.04Å
165V87.2Confident79.2Confident43 Ų4386.4 Ų86.426%0.26147%0.47SS..Hα-helixtrans-60.7-48.7177.2173.40000110.7D161 A162 S167 L168 E169D161-V165 WeakPolarHBondContact O-CG2 3.36Å; D161-V165 PolarHBondContact O-N 3.31Å; A162-V165 PolarHBondContact O-N 2.95Å; V165-S167 VanDerWaalsContact C-N 3.27Å; V165-S167 PolarHBondContact O-N 3.23Å; V165-L168 WeakPolarHBondContact O-CB 3.2Å; V165-L168 PolarHBondContact O-N 2.9Å; V165-E169 PolarHBondContact O-N 3.32Å; V165-E169 VanDerWaalsContact O-N 3.1Å
166D87.3Confident77.5Confident88 Ų8892.3 Ų92.347%0.47150%0.498SS..Hα-helixtrans-60.5-38.1178.8-70.5-7.5000111.9A162 L168 E169 C170A162-D166 PolarHBondContact O-N 3.32Å; D166-L168 VanDerWaalsContact C-N 3.28Å; D166-L168 PolarHBondContact O-N 3.12Å; D166-E169 PolarHBondContact O-N 3.41Å; D166-C170 WeakPolarHBondContact O-CB 3.21Å; D166-C170 PolarHBondContact O-N 3.08Å; D166-C170 PolarHBondContact O-SG 3.41Å
167S86.7Confident75.8Confident50 Ų5094.4 Ų94.435%0.3552%0.519SS..Hα-helixtrans-64.7-33.4177.775.90000112.5L163 Q164 V165 S171L163-S167 VanDerWaalsContact O-CB 3.26Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.93Å; L163-S167 PolarHBondContact O-OG 3.31Å; Q164-S167 PolarHBondContact O-N 3.2Å; Q164-S167 PolarHBondContact O-OG 2.97Å; V165-S167 VanDerWaalsContact C-N 3.27Å; V165-S167 PolarHBondContact O-N 3.23Å; S167-S171 VanDerWaalsContact O-CB 3.3Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-OG 3.45Å
168L83.4Confident74.3Confident105 Ų10593.9 Ų93.955%0.5552%0.523SS..Hα-helixtrans-75.9-32.8177.3-66.1172000112.1Q164 V165 D166 S171 T173Q164-L168 WeakPolarHBondContact O-CG 3.44Å; Q164-L168 PolarHBondContact O-N 3.04Å; V165-L168 WeakPolarHBondContact O-CB 3.2Å; V165-L168 PolarHBondContact O-N 2.9Å; D166-L168 VanDerWaalsContact C-N 3.28Å; D166-L168 PolarHBondContact O-N 3.12Å; L168-S171 WeakPolarHBondContact CA-OG 3.12Å; L168-S171 PolarHBondContact O-OG 3.24Å; L168-T173 HydrophobicContact CD2-CG2 4.08Å
169E80.1Confident73.2Confident148 Ų14894.1 Ų94.169%0.69254%0.538SS*.Hα-helixtrans-73.6-30.2175.5-68-169.4174.900112.3V165 D166 S171V165-E169 PolarHBondContact O-N 3.32Å; V165-E169 VanDerWaalsContact O-N 3.1Å; D166-E169 PolarHBondContact O-N 3.41Å; E169-S171 VanDerWaalsContact C-N 3.27Å; E169-S171 PolarHBondContact O-N 3.38Å
170C70.4Confident72.3Confident117 Ų11792.4 Ų92.479%0.79153%0.528SS*.THydrogen-bonded Turntrans-80.4-0.6178-69.30000114.5D166D166-C170 WeakPolarHBondContact O-CB 3.21Å; D166-C170 PolarHBondContact O-N 3.08Å; D166-C170 PolarHBondContact O-SG 3.41Å
171S57.1Low71.3Confident26 Ų2687.5 Ų87.518%0.18251%0.514CS..  trans-129.9121.1-166.858.30000110.5S167 L168 E169 T173S167-S171 VanDerWaalsContact O-CB 3.3Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-OG 3.45Å; L168-S171 WeakPolarHBondContact CA-OG 3.12Å; L168-S171 PolarHBondContact O-OG 3.24Å; E169-S171 VanDerWaalsContact C-N 3.27Å; E169-S171 PolarHBondContact O-N 3.38Å; S171-T173 VanDerWaalsContact CB-N 3.33Å; S171-T173 PolarHBondContact O-N 3.14Å; S171-T173 WeakPolarHBondContact OG-CG2 3.05Å
172D53.9Low70.5Confident139 Ų13985.7 Ų85.774%0.74351%0.513SS*.  11.551.361.9-123.24.4000113.6S174D172-S174 PolarHBondContact O-N 3.08Å
173T54.2Low70.2Confident86 Ų8690.9 Ų90.953%0.52855%0.545SS..G310 helixtrans-63.2-1.3-176.939.90000114L168 S171 D175L168-T173 HydrophobicContact CD2-CG2 4.08Å; S171-T173 VanDerWaalsContact CB-N 3.33Å; S171-T173 PolarHBondContact O-N 3.14Å; S171-T173 WeakPolarHBondContact OG-CG2 3.05Å; T173-D175 PolarHBondContact O-N 2.87Å
174S52.8Low69.9Low65 Ų6595.4 Ų95.446%0.45556%0.556SS.*G310 helixtrans-66.7-20.1178.453.10000113.8D172D172-S174 PolarHBondContact O-N 3.08Å
175D52Low69.8Low88 Ų8893 Ų9347%0.47156%0.563SS.*G310 helixtrans-102.3-7.8-162.3-69.76.3000114.9T173 P181T173-D175 PolarHBondContact O-N 2.87Å; D175-P181 HydrophobicContact CB-CG 4.18Å; D175-P181 WeakPolarHBondContact OD1-CB 3.2Å
176L52.9Low69.9Low144 Ų144100.6 Ų100.675%0.75460%0.596SS**SBendtrans-106.2-9.9-174.1-61.3-176.8000114.9
177S53Low70Confident117 Ų117105.3 Ų105.382%0.81862%0.615SS**SBendtrans-94.7-18.7-176.3-165.20000114.1
178S55.8Low69.9Low52 Ų52111.3 Ų111.336%0.36464%0.638SS.*SBendtrans-155133.7170.653.60000109.8P180 P181S178-P180 CarbonylContact C-O 3.53Å; S178-P180 CarbonylContact O-C 3.59Å; S178-P180 PolarHBondContact OG-O 2.9Å; S178-P180 VanDerWaalsContact OG-O 3.11Å; S178-P181 WeakPolarHBondContact O-CA 2.83Å; S178-P181 VanDerWaalsContact O-N 3.08Å
179S67.9Low69.9Low119 Ų119113.7 Ų113.783%0.83264%0.64SS**SBendtrans-96.6117.8158.1-175.10000106.8
180P72.5Confident70Confident63 Ų63113.2 Ų113.241%0.40964%0.641SS.*SBendcis-78.1152.34.430.7-32.3000113.9S178 Y184S178-P180 CarbonylContact C-O 3.53Å; S178-P180 CarbonylContact O-C 3.59Å; S178-P180 PolarHBondContact OG-O 2.9Å; S178-P180 VanDerWaalsContact OG-O 3.11Å; P180-Y184 HydrophobicContact CG-CE1 4.19Å
181P69.8Low70.3Confident70 Ų70113.3 Ų113.346%0.45563%0.628SS.*SBendtrans-58.4138.9171.7-24.834.4000111.8D175 S178D175-P181 HydrophobicContact CB-CG 4.18Å; D175-P181 WeakPolarHBondContact OD1-CB 3.2Å; S178-P181 WeakPolarHBondContact O-CA 2.83Å; S178-P181 VanDerWaalsContact O-N 3.08Å
182G74.5Confident71.2Confident37 Ų37119.6 Ų119.638%0.38165%0.648SS.*SBendtrans85.2173.6178.900000115.2
183P83.1Confident71.9Confident131 Ų131116.9 Ų116.985%0.85164%0.638SS**  trans-70.4148.7179.929.8-34.4000111.4G185P183-G185 PolarHBondContact O-N 3.29Å
184Y85.2Confident72.7Confident197 Ų197120.3 Ų120.377%0.77365%0.648SS**  trans-64.4121.2168.1-71.3-87.2000109.9P180P180-Y184 HydrophobicContact CG-CE1 4.19Å
185G85.8Confident73.4Confident68 Ų68121.1 Ų121.170%0.70165%0.645SS**  trans-116.5161.2176.600000112.3P183P183-G185 PolarHBondContact O-N 3.29Å
186Q90.4Very high73.8Confident203 Ų203121.6 Ų121.695%0.94964%0.644SS**  trans-102.51.4169.1-65.4-177-7.500112.1Q188Q186-Q188 PolarHBondContact O-N 2.99Å
187E87.6Confident74Confident186 Ų186123.7 Ų123.787%0.86965%0.647SS**SBendtrans-64.8131.3179.4-62-170.6171.500109.7Y189E187-Y189 PolarHBondContact O-N 2.6Å
188Q84.9Confident74.9Confident177 Ų177127.8 Ų127.883%0.82765%0.65SS**PPolyproline II helixtrans-63.4128.9175.8-177.4178.6-28.600108.7Q186 I190Q186-Q188 PolarHBondContact O-N 2.99Å; Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.14Å
189Y83.2Confident76.2Confident154 Ų154129.4 Ų129.460%0.60467%0.667SS**PPolyproline II helixtrans-59.1119.7173.7-179.1-105.7000110.3E187 E195E187-Y189 PolarHBondContact O-N 2.6Å; Y189-E195 PolarHBondContact OH-OE1 3.17Å; Y189-E195 PolarHBondContact OH-OE2 3.22Å
190I82.6Confident77.2Confident138 Ų138129.1 Ų129.171%0.70866%0.662SS**  trans-89.9109.7175.6-58.4174.1000107.1Q188 R192Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.14Å; I190-R192 PolarHBondContact O-N 3.21Å
191F76.6Confident78.2Confident120 Ų120132 Ų13253%0.52668%0.681SS.*  trans-58.8123177.6-177-84.5000110.8H196F191-H196 AromaticContact CE1-CE1 3.26Å; F191-H196 WeakPolarHBondContact CE1-CE1 2.91Å; F191-H196 AromaticContact CE1-ND1 3.21Å; F191-H196 WeakPolarHBondContact CE1-ND1 3.4Å; F191-H196 AromaticContact CZ-CE1 3.62Å; F191-H196 AromaticContact CZ-ND1 3.2Å; F191-H196 WeakPolarHBondContact CZ-ND1 3.38Å
192R76.8Confident79.4Confident158 Ų158136.3 Ų136.360%0.59670%0.699SS**  trans-94.1131175.8-59.9-178.4173.4156.6-1.3110.3I190 E194 E195I190-R192 PolarHBondContact O-N 3.21Å; R192-E194 PolarHBondContact O-N 3.12Å; R192-E194 VanDerWaalsContact O-N 3.09Å; R192-E195 HydrophobicContact CB-CG 3.99Å; R192-E195 WeakPolarHBondContact CB-OE2 3.36Å; R192-E195 PolarHBondContact N-OE2 3.3Å; R192-E195 WeakPolarHBondContact O-CB 2.89Å; R192-E195 PolarHBondContact O-N 3.36Å
193P68.4Low80.5Confident81 Ų81139.2 Ų139.253%0.52671%0.705SS.*G310 helixtrans-56.6-23.8176.9-2433.7000114.1E195 H196P193-E195 VanDerWaalsContact C-N 3.3Å; P193-H196 WeakPolarHBondContact O-CB 3.47Å; P193-H196 PolarHBondContact O-CD2 3.43Å; P193-H196 PolarHBondContact O-ND1 3.16Å
194E71.3Confident81.2Confident159 Ų159136 Ų13674%0.74368%0.683SS**G310 helixtrans-74.9-18.2177.1-59.871.3-151.900113R192 H196R192-E194 PolarHBondContact O-N 3.12Å; R192-E194 VanDerWaalsContact O-N 3.09Å; E194-H196 PolarHBondContact O-N 3.12Å
195E67.9Low81.8Confident82 Ų82130.7 Ų130.738%0.38367%0.673SS.*G310 helixtrans-84.714.4177-63.8166.4149.800112.2Y189 R192 P193Y189-E195 PolarHBondContact OH-OE1 3.17Å; Y189-E195 PolarHBondContact OH-OE2 3.22Å; R192-E195 HydrophobicContact CB-CG 3.99Å; R192-E195 WeakPolarHBondContact CB-OE2 3.36Å; R192-E195 PolarHBondContact N-OE2 3.3Å; R192-E195 WeakPolarHBondContact O-CB 2.89Å; R192-E195 PolarHBondContact O-N 3.36Å; P193-E195 VanDerWaalsContact C-N 3.3Å
196H59.3Low82.3Confident98 Ų98131.5 Ų131.545%0.45466%0.659SS.*THydrogen-bonded Turntrans-63.2130.7-171-99.511000114.8F191 P193 E194F191-H196 AromaticContact CE1-CE1 3.26Å; F191-H196 WeakPolarHBondContact CE1-CE1 2.91Å; F191-H196 AromaticContact CE1-ND1 3.21Å; F191-H196 WeakPolarHBondContact CE1-ND1 3.4Å; F191-H196 AromaticContact CZ-CE1 3.62Å; F191-H196 AromaticContact CZ-ND1 3.2Å; F191-H196 WeakPolarHBondContact CZ-ND1 3.38Å; P193-H196 WeakPolarHBondContact O-CB 3.47Å; P193-H196 PolarHBondContact O-CD2 3.43Å; P193-H196 PolarHBondContact O-ND1 3.16Å; E194-H196 PolarHBondContact O-N 3.12Å
197F56.9Low82.6Confident187 Ų187123.2 Ų123.282%0.8262%0.621SS**THydrogen-bonded Turntrans81.734.7159-50.7-69.2000120.6
198K72.3Confident83.1Confident203 Ų203120 Ų12088%0.88361%0.609SS**  trans-91.3105.5155.1-64.3-169.2-176.7-179.40108.9
199A83.3Confident83.5Confident86 Ų86116.2 Ų116.271%0.71159%0.591SS**PPolyproline II helixtrans-51.9146.7165.400000109
200P88.8Confident84Confident113 Ų113110.4 Ų110.473%0.73457%0.572SS**PPolyproline II helixtrans-55.9147.8175.625.2-34.1000109.7I202P200-I202 PolarHBondContact O-N 3.11Å
201P92.9Very high84.7Confident124 Ų124104.2 Ų104.281%0.80554%0.54SS*.PPolyproline II helixtrans-58.5142.4179.825.2-33.8000110.4L203P201-L203 PolarHBondContact O-N 3.39Å
202I96.5Very high85.6Confident161 Ų161101.6 Ų101.683%0.82653%0.531SS*.PPolyproline II helixtrans-63136.7175.9-59.4170.3000108.6P200 P204P200-I202 PolarHBondContact O-N 3.11Å; I202-P204 VanDerWaalsContact O-CD 3.31Å; I202-P204 WeakPolarHBondContact O-CD 2.97Å
203L96.6Very high86.4Confident98 Ų98100 Ų10051%0.51353%0.534SS..PPolyproline II helixtrans-56.8121.4177.1179.166.8000110.5P201 L207 L208P201-L203 PolarHBondContact O-N 3.39Å; L203-L207 HydrophobicContact CD1-CB 4.3Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; L203-L208 HydrophobicContact CD2-CD2 3.7Å; L203-L208 HydrophobicContact CD2-CG 4.2Å
204P97.5Very high87.6Confident62 Ų62100.8 Ų100.840%0.40353%0.53SS..PPolyproline II helixtrans-61.5127.3175-24.234.9000110.7I202 H206 L207I202-P204 VanDerWaalsContact O-CD 3.31Å; I202-P204 WeakPolarHBondContact O-CD 2.97Å; P204-H206 PolarHBondContact O-N 2.92Å; P204-L207 PolarHBondContact O-N 2.69Å
205P97.4Very high88.5Confident86 Ų86101.2 Ų101.256%0.55854%0.537SS*.G310 helixtrans-63.9-19-174.424.9-35000113.4L207 L208P205-L207 PolarHBondContact O-N 2.99Å; P205-L208 WeakPolarHBondContact O-CB 3.48Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.08Å
206H97.3Very high89.6Confident85 Ų85100.2 Ų100.239%0.39454%0.536SS..G310 helixtrans-58.7-33.2174-60.894.6000112.8P204 L208 Q209P204-H206 PolarHBondContact O-N 2.92Å; H206-L208 PolarHBondContact O-N 3.3Å; H206-Q209 PolarHBondContact O-N 3.11Å
207L97.2Very high91Very high29 Ų29100.5 Ų100.515%0.15254%0.541CS..G310 helixtrans-73.3-11.4178.7-59.8-175.9000112.9L203 P204 P205 Q209 M232 H235 Y237L203-L207 HydrophobicContact CD1-CB 4.3Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; P204-L207 PolarHBondContact O-N 2.69Å; P205-L207 PolarHBondContact O-N 2.99Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-M232 HydrophobicContact CD2-CB 4.43Å; L207-H235 HydrophobicContact CD2-CB 4.43Å; L207-Y237 WeakPolarHBondContact O-CE1 3.44Å; L207-Y237 PolarHBondContact O-OH 3.14Å
208L96.6Very high92.6Very high118 Ų11898.7 Ų98.762%0.61855%0.545SS*.G310 helixtrans-83.7-12.6174.3-59.1174.3000112.3L203 P205 H206 V210L203-L208 HydrophobicContact CD2-CD2 3.7Å; L203-L208 HydrophobicContact CD2-CG 4.2Å; P205-L208 WeakPolarHBondContact O-CB 3.48Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.08Å; H206-L208 PolarHBondContact O-N 3.3Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.42Å; L208-V210 VanDerWaalsContact O-N 3.07Å
209Q93.9Very high93.6Very high98 Ų9893.8 Ų93.846%0.45854%0.536SS..  trans-86.765.6-176.7-61.2-175.84.900112.2H206 L207 I211 M232H206-Q209 PolarHBondContact O-N 3.11Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.33Å; Q209-M232 WeakPolarHBondContact O-CE 3.45Å
210V94.8Very high94Very high33 Ų3392 Ų9220%0.252%0.519CS..  trans-58.6119.9-175.9-1710000111.8L208 L212 N213 Y237L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.42Å; L208-V210 VanDerWaalsContact O-N 3.07Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 HydrophobicContact CG1-CB 4.37Å; V210-L212 PolarHBondContact O-N 3.14Å; V210-N213 HydrophobicContact CB-CB 4.11Å; V210-N213 HydrophobicContact CG1-CB 4.45Å; V210-N213 PolarHBondContact O-N 3.33Å; V210-N213 VanDerWaalsContact O-N 3.17Å; V210-Y237 HydrophobicContact CB-CD1 4.41Å; V210-Y237 HydrophobicContact CB-CE1 4.39Å; V210-Y237 HydrophobicContact CG1-CD1 4.02Å; V210-Y237 HydrophobicContact CG1-CE1 4.41Å; V210-Y237 HydrophobicContact CG1-CG 4.41Å; V210-Y237 HydrophobicContact CG2-CD1 3.78Å; V210-Y237 HydrophobicContact CG2-CE1 3.76Å
211I95.6Very high94.3Very high7 Ų791.1 Ų91.14%0.03651%0.508CS..G310 helixtrans-63.5-34.6-177.2-171.3166.2000113.1Q209 N213 K214 L225 P226 P228 M232Q209-I211 PolarHBondContact O-N 3.33Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.41Å; I211-K214 PolarHBondContact O-N 3.17Å; I211-L225 HydrophobicContact CD1-CB 4.02Å; I211-L225 HydrophobicContact CD1-CD1 4.44Å; I211-L225 HydrophobicContact CG1-CB 4.32Å; I211-P226 HydrophobicContact CD1-CG 4.34Å; I211-P226 VanDerWaalsContact CD1-O 3.24Å; I211-P226 WeakPolarHBondContact CD1-O 3.4Å; I211-P226 HydrophobicContact CG1-CG 4.06Å; I211-P228 HydrophobicContact CD1-CB 3.96Å; I211-M232 HydrophobicContact CB-CE 4.42Å; I211-M232 HydrophobicContact CB-SD 4.3Å
212L95.8Very high94.3Very high66 Ų6690.9 Ų90.935%0.34651%0.506SS..G310 helixtrans-74.7-14179.3-64.9175.9000113.5V210 L225 T260 L262V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 HydrophobicContact CG1-CB 4.37Å; V210-L212 PolarHBondContact O-N 3.14Å; L212-L225 HydrophobicContact CD2-CD1 3.91Å; L212-L225 HydrophobicContact CD2-CD2 4.23Å; L212-T260 HydrophobicContact CD1-CG2 3.99Å; L212-T260 HydrophobicContact CD2-CG2 3.91Å; L212-T260 HydrophobicContact CG-CG2 4.03Å; L212-L262 HydrophobicContact CD1-CD1 3.95Å; L212-L262 HydrophobicContact CD1-CD2 4.36Å; L212-L262 HydrophobicContact CD1-CG 4.23Å; L212-L262 HydrophobicContact CD2-CD1 4.34Å
213N95Very high94.2Very high123 Ų12387.1 Ų87.166%0.65850%0.499SS*.G310 helixtrans-93.42.3175.9-66.1-3.9000112.2V210 I211V210-N213 HydrophobicContact CB-CB 4.11Å; V210-N213 HydrophobicContact CG1-CB 4.45Å; V210-N213 PolarHBondContact O-N 3.33Å; V210-N213 VanDerWaalsContact O-N 3.17Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.41Å
214K92.1Very high94.2Very high99 Ų9987.3 Ų87.343%0.4350%0.5SS..SBendtrans-90.5130.1177.3-64.7-174.8178.9-177.10109.4I211 P226I211-K214 PolarHBondContact O-N 3.17Å; K214-P226 HydrophobicContact CD-CG 4.29Å
215D91.3Very high94.1Very high168 Ų16887.7 Ų87.790%0.89850%0.498SS*.PPolyproline II helixtrans-67134.8172.1-62.8-48.8000110.5
216T90.6Very high94Very high60 Ų6086.2 Ų86.237%0.36849%0.489SS..PPolyproline II helixtrans-98.3156.4171.5550000109.9V218T216-V218 PolarHBondContact O-N 2.99Å
217N88.9Confident93.9Very high105 Ų10589.5 Ų89.556%0.56150%0.504SS*.PPolyproline II helixtrans-65.9132.5179.1-171.4-17.3000109.6S219 C220N217-S219 VanDerWaalsContact CG-OG 3.31Å; N217-S219 PolarHBondContact ND2-OG 3.01Å; N217-S219 PolarHBondContact O-N 3.36Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 2.96Å; N217-C220 PolarHBondContact O-N 2.96Å; N217-C220 PolarHBondContact O-SG 2.99Å
218V90Very high93.9Very high148 Ų14888.8 Ų88.890%0.89750%0.501SS*.THydrogen-bonded Turntrans-57.2-17.9178.4-63.40000114T216T216-V218 PolarHBondContact O-N 2.99Å
219S93.3Very high94Very high100 Ų10086 Ų8670%0.69949%0.487SS*.THydrogen-bonded Turntrans-83-12.8177.769.90000114.9N217N217-S219 VanDerWaalsContact CG-OG 3.31Å; N217-S219 PolarHBondContact ND2-OG 3.01Å; N217-S219 PolarHBondContact O-N 3.36Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 2.96Å
220C91.8Very high94.1Very high50 Ų5087.6 Ų87.634%0.33849%0.494SS..SBendtrans-97.3163.6-179.465.60000112.6N217N217-C220 PolarHBondContact O-N 2.96Å; N217-C220 PolarHBondContact O-SG 2.99Å
221D94.5Very high94.3Very high94 Ų9488.8 Ų88.850%0.50350%0.501SS..  trans-57.7129.1174.4177.7-18.4000110.5A223 L224D221-A223 PolarHBondContact O-N 3.31Å; D221-A223 VanDerWaalsContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CB 3.36Å; D221-A223 PolarHBondContact OD1-N 3.2Å; D221-L224 HydrophobicContact CB-CD1 3.83Å; D221-L224 HydrophobicContact CB-CG 3.9Å; D221-L224 WeakPolarHBondContact O-CB 3.5Å; D221-L224 PolarHBondContact O-N 3.36Å
222P93.6Very high94.3Very high118 Ų11888.8 Ų88.877%0.76650%0.501SS*.THydrogen-bonded Turntrans-57.6-22.4179.4-25.734.5000115.5L224P222-L224 VanDerWaalsContact C-N 3.31Å
223A94.6Very high94.4Very high83 Ų8386.3 Ų86.369%0.68649%0.488SS*.THydrogen-bonded Turntrans-81.1-11177.100000113.2D221D221-A223 PolarHBondContact O-N 3.31Å; D221-A223 VanDerWaalsContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CB 3.36Å; D221-A223 PolarHBondContact OD1-N 3.2Å
224L95.6Very high94.6Very high102 Ų10286.1 Ų86.153%0.53449%0.487SS..  trans-83.3132.7178.9-65.3176.1000111.1D221 P222D221-L224 HydrophobicContact CB-CD1 3.83Å; D221-L224 HydrophobicContact CB-CG 3.9Å; D221-L224 WeakPolarHBondContact O-CB 3.5Å; D221-L224 PolarHBondContact O-N 3.36Å; P222-L224 VanDerWaalsContact C-N 3.31Å
225L96.1Very high94.9Very high70 Ų7085 Ų8537%0.36648%0.484SS..  trans-114.9154.5173.8-65.9175.5000109.7I211 L212 T260I211-L225 HydrophobicContact CD1-CB 4.02Å; I211-L225 HydrophobicContact CD1-CD1 4.44Å; I211-L225 HydrophobicContact CG1-CB 4.32Å; L212-L225 HydrophobicContact CD2-CD1 3.91Å; L212-L225 HydrophobicContact CD2-CD2 4.23Å; L225-T260 HydrophobicContact CD1-CG2 4.32Å; L225-T260 WeakPolarHBondContact CD1-OG1 3.18Å
226P95.3Very high95.2Very high55 Ų5582.7 Ų82.736%0.35747%0.47SS..PPolyproline II helixtrans-63.2164.7172.728.2-35.4000111.5I211 K214 P228I211-P226 HydrophobicContact CD1-CG 4.34Å; I211-P226 VanDerWaalsContact CD1-O 3.24Å; I211-P226 WeakPolarHBondContact CD1-O 3.4Å; I211-P226 HydrophobicContact CG1-CG 4.06Å; K214-P226 HydrophobicContact CD-CG 4.29Å; P226-P228 WeakPolarHBondContact O-CD 3.38Å
227E96.1Very high95.5Very high154 Ų15481.3 Ų81.372%0.7246%0.459SS*.PPolyproline II helixtrans-64.1125176.3-172.7172.1-174.600111.1Y258E227-Y258 HydrophobicContact CG-CD2 4.49Å; E227-Y258 HydrophobicContact CG-CE2 3.91Å
228P97.2Very high95.9Very high13 Ų1379.6 Ų79.68%0.08446%0.459CS..PPolyproline II helixtrans-76.2153.2177.731-35.1000111.8I211 P226 M232 L233 T251 Y258I211-P228 HydrophobicContact CD1-CB 3.96Å; P226-P228 WeakPolarHBondContact O-CD 3.38Å; P228-M232 HydrophobicContact CB-CG 4.22Å; P228-M232 HydrophobicContact CB-SD 3.72Å; P228-L233 HydrophobicContact CB-CD2 4.15Å; P228-L233 HydrophobicContact CG-CD2 3.92Å; P228-T251 HydrophobicContact CB-CG2 4.34Å; P228-T251 HydrophobicContact CG-CG2 4.09Å; P228-Y258 HydrophobicContact CG-CD1 3.69Å; P228-Y258 HydrophobicContact CG-CD2 3.95Å; P228-Y258 HydrophobicContact CG-CE1 4.18Å; P228-Y258 HydrophobicContact CG-CE2 4.4Å; P228-Y258 HydrophobicContact CG-CG 3.54Å
229N97.1Very high96.2Very high61 Ų6177.6 Ų77.633%0.32644%0.443SS..PPolyproline II helixtrans-70.2137.5166.6-170.9-33.9000109.6V231 M232N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact OD1-N 3.14Å; N229-V231 VanDerWaalsContact OD1-N 3.16Å; N229-M232 HydrophobicContact CB-CG 4.4Å; N229-M232 WeakPolarHBondContact O-CG 3.44Å; N229-M232 PolarHBondContact O-N 2.76Å; N229-M232 VanDerWaalsContact O-N 3.12Å
230H97.6Very high96.4Very high130 Ų13077.6 Ų77.660%0.60244%0.443SS*.G310 helixtrans-57-29.4-179.569.7-85.2000113.5M232 L233H230-M232 VanDerWaalsContact C-N 3.32Å; H230-M232 PolarHBondContact O-N 3.16Å; H230-L233 WeakPolarHBondContact O-CB 3.24Å; H230-L233 WeakPolarHBondContact O-CG 3.46Å; H230-L233 PolarHBondContact O-N 3.41Å
231V97.9Very high96.6Very high58 Ų5879.7 Ų79.735%0.35245%0.45SS..G310 helixtrans-69.4-25.5-179.3-179.20000112.9N229 H235N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact OD1-N 3.14Å; N229-V231 VanDerWaalsContact OD1-N 3.16Å; V231-H235 PolarHBondContact O-CD2 3.26Å; V231-H235 PolarHBondContact O-NE2 3.1Å; V231-H235 VanDerWaalsContact O-NE2 3.17Å
232M96.9Very high96.6Very high7 Ų782.5 Ų82.53%0.03446%0.458CS..G310 helixtrans-87.3-6.9179.761.7146.244.500113.9L207 Q209 I211 P228 N229 H230 H235L207-M232 HydrophobicContact CD2-CB 4.43Å; Q209-M232 WeakPolarHBondContact O-CE 3.45Å; I211-M232 HydrophobicContact CB-CE 4.42Å; I211-M232 HydrophobicContact CB-SD 4.3Å; P228-M232 HydrophobicContact CB-CG 4.22Å; P228-M232 HydrophobicContact CB-SD 3.72Å; N229-M232 HydrophobicContact CB-CG 4.4Å; N229-M232 WeakPolarHBondContact O-CG 3.44Å; N229-M232 PolarHBondContact O-N 2.76Å; N229-M232 VanDerWaalsContact O-N 3.12Å; H230-M232 VanDerWaalsContact C-N 3.32Å; H230-M232 PolarHBondContact O-N 3.16Å; M232-H235 PolarHBondContact O-N 2.83Å
233L97.6Very high96.7Very high14 Ų1484.7 Ų84.77%0.07346%0.463CS..THydrogen-bonded Turntrans-66.7147.4178.8-57.7177.9000110P228 H230 H235 T251 R253 Y258P228-L233 HydrophobicContact CB-CD2 4.15Å; P228-L233 HydrophobicContact CG-CD2 3.92Å; H230-L233 WeakPolarHBondContact O-CB 3.24Å; H230-L233 WeakPolarHBondContact O-CG 3.46Å; H230-L233 PolarHBondContact O-N 3.41Å; L233-H235 PolarHBondContact O-CD2 2.88Å; L233-H235 PolarHBondContact O-N 2.83Å; L233-H235 VanDerWaalsContact O-N 3.14Å; L233-T251 WeakPolarHBondContact CA-O 3.47Å; L233-T251 HydrophobicContact CD2-CG2 3.51Å; L233-R253 HydrophobicContact CD1-CB 4.14Å; L233-Y258 HydrophobicContact CD1-CD1 4.08Å; L233-Y258 HydrophobicContact CD1-CE1 3.83Å; L233-Y258 HydrophobicContact CD2-CD1 4.01Å; L233-Y258 HydrophobicContact CD2-CE1 4.47Å
234N97.8Very high96.7Very high119 Ų11982.8 Ų82.864%0.63645%0.451SS*.THydrogen-bonded Turntrans64.35.8-177.3-44.7-38.6000115.1T251 H252N234-T251 PolarHBondContact N-O 3.21Å; N234-H252 PolarHBondContact OD1-CD2 2.86Å; N234-H252 VanDerWaalsContact OD1-CD2 3.29Å
235H98.2Very high96.8Very high76 Ų7680.2 Ų80.235%0.35244%0.439SS..  trans-86.8137.1169.8-70.8-89.9000111.2L207 V231 M232 L233 Y237L207-H235 HydrophobicContact CD2-CB 4.43Å; V231-H235 PolarHBondContact O-CD2 3.26Å; V231-H235 PolarHBondContact O-NE2 3.1Å; V231-H235 VanDerWaalsContact O-NE2 3.17Å; M232-H235 PolarHBondContact O-N 2.83Å; L233-H235 PolarHBondContact O-CD2 2.88Å; L233-H235 PolarHBondContact O-N 2.83Å; L233-H235 VanDerWaalsContact O-N 3.14Å; H235-Y237 HydrophobicContact CB-CE2 4.2Å
236L98.1Very high96.8Very high119 Ų11979.8 Ų79.862%0.62344%0.436SS*.EExtended strand (participates in β ladder)trans-82.8126.4178-171.372000110.5L248L236-L248 HydrophobicContact CD1-CB 4.16Å; L236-L248 HydrophobicContact CD1-CD2 4.44Å; L236-L248 HydrophobicContact CD2-CD2 4.27Å
237Y97.9Very high97Very high32 Ų3278.2 Ų78.213%0.12543%0.425CS..EExtended strand (participates in β ladder)trans-112.4134.8168.6-63.3-89.4000109L207 V210 H235 L248 S249L207-Y237 WeakPolarHBondContact O-CE1 3.44Å; L207-Y237 PolarHBondContact O-OH 3.14Å; V210-Y237 HydrophobicContact CB-CD1 4.41Å; V210-Y237 HydrophobicContact CB-CE1 4.39Å; V210-Y237 HydrophobicContact CG1-CD1 4.02Å; V210-Y237 HydrophobicContact CG1-CE1 4.41Å; V210-Y237 HydrophobicContact CG1-CG 4.41Å; V210-Y237 HydrophobicContact CG2-CD1 3.78Å; V210-Y237 HydrophobicContact CG2-CE1 3.76Å; H235-Y237 HydrophobicContact CB-CE2 4.2Å; Y237-L248 CarbonylContact O-C 3.58Å; Y237-S249 WeakPolarHBondContact CB-OG 3.43Å; Y237-S249 PolarHBondContact N-O 3.34Å; Y237-S249 PolarHBondContact O-N 3.03Å; Y237-S249 PolarHBondContact O-OG 3.29Å
238A97.4Very high97Very high68 Ų6872.9 Ų72.956%0.56240%0.402SS*.EExtended strand (participates in β ladder)trans-128.1144-179.100000110.5V247 L248A238-V247 WeakPolarHBondContact CA-O 3.46Å; A238-L248 HydrophobicContact CB-CD2 3.66Å
239L96.4Very high97.1Very high106 Ų10672.9 Ų72.956%0.55540%0.402SS*.PPolyproline II helixtrans-86.5153.8164.3-67175.1000109.8I241 V247L239-I241 PolarHBondContact O-N 2.84Å; L239-V247 HydrophobicContact CB-CB 4.26Å; L239-V247 HydrophobicContact CD1-CB 4.27Å; L239-V247 HydrophobicContact CD1-CG1 4.25Å; L239-V247 PolarHBondContact N-O 2.91Å; L239-V247 VanDerWaalsContact N-O 3.1Å
240S96.6Very high97.1Very high101 Ų10170.7 Ų70.771%0.70639%0.392SS*.PPolyproline II helixtrans-57.5131.4168.4-54.10000109.7K242S240-K242 PolarHBondContact O-N 3.13Å
241I96Very high97.2Very high93 Ų9364.5 Ų64.548%0.47736%0.364SS..PPolyproline II helixtrans-58.5132179.7-63.8158.3000109.5L239 M246 I267L239-I241 PolarHBondContact O-N 2.84Å; I241-M246 HydrophobicContact CD1-CE 4.27Å; I241-M246 HydrophobicContact CG1-CB 4.37Å; I241-M246 HydrophobicContact CG1-CG 4.41Å; I241-I267 HydrophobicContact CB-CD1 4.28Å; I241-I267 HydrophobicContact CD1-CD1 3.47Å; I241-I267 VanDerWaalsContact CD1-CD1 3.47Å; I241-I267 HydrophobicContact CG1-CD1 3.79Å; I241-I267 HydrophobicContact CG2-CD1 3.48Å; I241-I267 VanDerWaalsContact CG2-CD1 3.48Å
242K94.8Very high97.2Very high154 Ų15466 Ų6667%0.6737%0.367SS*.BIsolated β-bridgetrans-138.7144.1175.5-68.3-177-178.5-179.50109.2S240 G244 V245S240-K242 PolarHBondContact O-N 3.13Å; K242-G244 PolarHBondContact O-N 2.91Å; K242-G244 VanDerWaalsContact O-N 3.12Å; K242-V245 PolarHBondContact N-O 2.99Å; K242-V245 PolarHBondContact O-N 3.05Å
243D95Very high97.3Very high164 Ų16471.7 Ų71.788%0.87739%0.388SS*.THydrogen-bonded Turntrans5335.2175.6-52.1-41.6000114.5V245D243-V245 PolarHBondContact O-N 3.33Å
244G95.2Very high97.3Very high42 Ų4278.4 Ų78.443%0.43341%0.413SS..THydrogen-bonded Turntrans7211.6-179.500000114.7K242 P266 I267K242-G244 PolarHBondContact O-N 2.91Å; K242-G244 VanDerWaalsContact O-N 3.12Å; G244-P266 WeakPolarHBondContact O-CA 3.46Å; G244-I267 PolarHBondContact O-N 3.08Å
245V97.3Very high97.2Very high48 Ų4880.8 Ų80.829%0.29142%0.418SS..EExtended strand (participates in β ladder)trans-114.6128.1179.8-176.80000110.8K242 D243 V247 Y264K242-V245 PolarHBondContact N-O 2.99Å; K242-V245 PolarHBondContact O-N 3.05Å; D243-V245 PolarHBondContact O-N 3.33Å; V245-V247 HydrophobicContact CG1-CG2 4.44Å; V245-Y264 HydrophobicContact CG1-CD1 4.1Å
246M97.1Very high97.2Very high61 Ų6186.3 Ų86.330%0.344%0.441SS..EExtended strand (participates in β ladder)trans-89.9134168.3-173.4-175.8-66.100109.8I241 L248 Y264 K265 I267I241-M246 HydrophobicContact CD1-CE 4.27Å; I241-M246 HydrophobicContact CG1-CB 4.37Å; I241-M246 HydrophobicContact CG1-CG 4.41Å; M246-L248 HydrophobicContact CG-CD2 4.04Å; M246-L248 HydrophobicContact CG-CG 4.02Å; M246-L248 HydrophobicContact SD-CD1 3.87Å; M246-L248 HydrophobicContact SD-CD2 3.94Å; M246-L248 HydrophobicContact SD-CG 3.91Å; M246-Y264 WeakPolarHBondContact O-CA 3.48Å; M246-K265 PolarHBondContact N-O 3.46Å; M246-K265 PolarHBondContact O-N 3.27Å; M246-I267 HydrophobicContact CB-CD1 4.07Å; M246-I267 HydrophobicContact CB-CG1 4.07Å; M246-I267 HydrophobicContact CE-CD1 4.12Å; M246-I267 HydrophobicContact CE-CG1 4.45Å
247V98Very high97.2Very high22 Ų2288.1 Ų88.113%0.13344%0.444CS..EExtended strand (participates in β ladder)trans-118.4116.6174.6-169.60000109.3A238 L239 V245 L263 Y264A238-V247 WeakPolarHBondContact CA-O 3.46Å; L239-V247 HydrophobicContact CB-CB 4.26Å; L239-V247 HydrophobicContact CD1-CB 4.27Å; L239-V247 HydrophobicContact CD1-CG1 4.25Å; L239-V247 PolarHBondContact N-O 2.91Å; L239-V247 VanDerWaalsContact N-O 3.1Å; V245-V247 HydrophobicContact CG1-CG2 4.44Å; V247-L263 WeakPolarHBondContact CA-O 3.46Å; V247-Y264 HydrophobicContact CB-CD1 4.41Å; V247-Y264 HydrophobicContact CB-CE1 4.26Å; V247-Y264 HydrophobicContact CG1-CD1 4.2Å; V247-Y264 HydrophobicContact CG1-CD2 4.41Å; V247-Y264 HydrophobicContact CG1-CE1 3.82Å; V247-Y264 HydrophobicContact CG1-CE2 4.04Å; V247-Y264 HydrophobicContact CG1-CG 4.47Å; V247-Y264 HydrophobicContact CG2-CD1 3.47Å; V247-Y264 VanDerWaalsContact CG2-CD1 3.47Å; V247-Y264 HydrophobicContact CG2-CE1 3.39Å; V247-Y264 HydrophobicContact CG2-CG 4.31Å
248L97.9Very high97.2Very high43 Ų4389.8 Ų89.823%0.22545%0.45CS..EExtended strand (participates in β ladder)trans-115.4148.2178.7-62-178.9000109.9L236 Y237 A238 M246 L262 L263L236-L248 HydrophobicContact CD1-CB 4.16Å; L236-L248 HydrophobicContact CD1-CD2 4.44Å; L236-L248 HydrophobicContact CD2-CD2 4.27Å; Y237-L248 CarbonylContact O-C 3.58Å; A238-L248 HydrophobicContact CB-CD2 3.66Å; M246-L248 HydrophobicContact CG-CD2 4.04Å; M246-L248 HydrophobicContact CG-CG 4.02Å; M246-L248 HydrophobicContact SD-CD1 3.87Å; M246-L248 HydrophobicContact SD-CD2 3.94Å; M246-L248 HydrophobicContact SD-CG 3.91Å; L248-L262 CarbonylContact O-C 3.56Å; L248-L262 WeakPolarHBondContact O-CA 3.45Å; L248-L263 PolarHBondContact N-O 3.42Å; L248-L263 PolarHBondContact O-N 3.42Å
249S98.1Very high97.3Very high13 Ų1390.1 Ų90.19%0.09145%0.445CS..EExtended strand (participates in β ladder)trans-146.5150.5175.266.40000112.1Y237 S261Y237-S249 WeakPolarHBondContact CB-OG 3.43Å; Y237-S249 PolarHBondContact N-O 3.34Å; Y237-S249 PolarHBondContact O-N 3.03Å; Y237-S249 PolarHBondContact O-OG 3.29Å; S249-S261 WeakPolarHBondContact CA-O 3.49Å; S249-S261 WeakPolarHBondContact CB-O 3.38Å
250A98.3Very high97.4Very high14 Ų1486.4 Ų86.412%0.11643%0.427CS..EExtended strand (participates in β ladder)trans-152.9146.7172.800000109.8T260 S261A250-T260 WeakPolarHBondContact O-CA 3.37Å; A250-S261 PolarHBondContact N-O 2.95Å; A250-S261 PolarHBondContact O-N 2.8Å
251T98.5Very high97.4Very high1 Ų184.8 Ų84.81%0.00642%0.415CS..EExtended strand (participates in β ladder)trans-100.4123.2175.1-52.30000109.7P228 L233 N234 V259 T260P228-T251 HydrophobicContact CB-CG2 4.34Å; P228-T251 HydrophobicContact CG-CG2 4.09Å; L233-T251 WeakPolarHBondContact CA-O 3.47Å; L233-T251 HydrophobicContact CD2-CG2 3.51Å; N234-T251 PolarHBondContact N-O 3.21Å; T251-V259 WeakPolarHBondContact CA-O 3.4Å; T251-T260 WeakPolarHBondContact CG2-OG1 3.45Å; T251-T260 PolarHBondContact OG1-OG1 2.91Å
252H98.4Very high97.5Very high90 Ų9084.3 Ų84.342%0.41741%0.413SS..EExtended strand (participates in β ladder)trans-116.6148.7178.9-62.695.3000110.8N234 Y258 V259N234-H252 PolarHBondContact OD1-CD2 2.86Å; N234-H252 VanDerWaalsContact OD1-CD2 3.29Å; H252-Y258 WeakPolarHBondContact O-CA 3.2Å; H252-V259 PolarHBondContact N-O 2.94Å; H252-V259 PolarHBondContact O-N 2.85Å
253R98.3Very high97.7Very high126 Ų12681.7 Ų81.748%0.47541%0.406SS..EExtended strand (participates in β ladder)trans-92.6127.7172.7-175.5-175.8-66.6-127.6-3.3109.7L233 K255 K257 Y258L233-R253 HydrophobicContact CD1-CB 4.14Å; R253-K255 WeakPolarHBondContact CD-O 3.4Å; R253-K255 WeakPolarHBondContact CG-O 3.42Å; R253-K257 CarbonylContact C-O 3.55Å; R253-K257 WeakPolarHBondContact CA-O 3.33Å; R253-Y258 HydrophobicContact CB-CD1 4.19Å; R253-Y258 HydrophobicContact CB-CE1 4.31Å; R253-Y258 HydrophobicContact CG-CD1 4.27Å; R253-Y258 HydrophobicContact CG-CE1 4.09Å; R253-Y258 PolarHBondContact NH2-OH 2.94Å
254Y97.8Very high97.8Very high155 Ų15581 Ų8161%0.60839%0.392SS*.EExtended strand (participates in β ladder)trans-117.9109.5167.4179.8-107.3000109.3K256 K257Y254-K256 PolarHBondContact O-N 2.96Å; Y254-K256 VanDerWaalsContact O-N 3.08Å; Y254-K257 PolarHBondContact N-O 3.32Å; Y254-K257 PolarHBondContact O-N 3.12Å
255K96.8Very high97.9Very high169 Ų16985.2 Ų85.274%0.73540%0.399SS*.THydrogen-bonded Turntrans53.6-111.7-170.3-56.5-178.7178.9-176.90110.8R253R253-K255 WeakPolarHBondContact CD-O 3.4Å; R253-K255 WeakPolarHBondContact CG-O 3.42Å
256K97.7Very high97.9Very high192 Ų19287.8 Ų87.884%0.83542%0.417SS*.THydrogen-bonded Turntrans-104.210178.3-61.4-172.8178.2-1770113.3Y254Y254-K256 PolarHBondContact O-N 2.96Å; Y254-K256 VanDerWaalsContact O-N 3.08Å
257K97.8Very high97.6Very high156 Ų15692.1 Ų92.168%0.67844%0.44SS*.EExtended strand (participates in β ladder)trans-113.9159-179.9-61.7-169.8177.7-1700110.6R253 Y254R253-K257 CarbonylContact C-O 3.55Å; R253-K257 WeakPolarHBondContact CA-O 3.33Å; Y254-K257 PolarHBondContact N-O 3.32Å; Y254-K257 PolarHBondContact O-N 3.12Å
258Y98.4Very high97.6Very high67 Ų6795.7 Ų95.726%0.26346%0.455SS..EExtended strand (participates in β ladder)trans-120139.6178-51.4-78.9000109.8E227 P228 L233 H252 R253E227-Y258 HydrophobicContact CG-CD2 4.49Å; E227-Y258 HydrophobicContact CG-CE2 3.91Å; P228-Y258 HydrophobicContact CG-CD1 3.69Å; P228-Y258 HydrophobicContact CG-CD2 3.95Å; P228-Y258 HydrophobicContact CG-CE1 4.18Å; P228-Y258 HydrophobicContact CG-CE2 4.4Å; P228-Y258 HydrophobicContact CG-CG 3.54Å; L233-Y258 HydrophobicContact CD1-CD1 4.08Å; L233-Y258 HydrophobicContact CD1-CE1 3.83Å; L233-Y258 HydrophobicContact CD2-CD1 4.01Å; L233-Y258 HydrophobicContact CD2-CE1 4.47Å; H252-Y258 WeakPolarHBondContact O-CA 3.2Å; R253-Y258 HydrophobicContact CB-CD1 4.19Å; R253-Y258 HydrophobicContact CB-CE1 4.31Å; R253-Y258 HydrophobicContact CG-CD1 4.27Å; R253-Y258 HydrophobicContact CG-CE1 4.09Å; R253-Y258 PolarHBondContact NH2-OH 2.94Å
259V98.3Very high97.5Very high76 Ų7698.4 Ų98.446%0.46147%0.467SS..EExtended strand (participates in β ladder)trans-131.1123.1177.8-177.70000108.2T251 H252T251-V259 WeakPolarHBondContact CA-O 3.4Å; H252-V259 PolarHBondContact N-O 2.94Å; H252-V259 PolarHBondContact O-N 2.85Å
260T98.4Very high97.5Very high28 Ų28103.2 Ų103.217%0.17249%0.488CS..EExtended strand (participates in β ladder)trans-97.7109170.6-56.50000108.2L212 L225 A250 T251 L262L212-T260 HydrophobicContact CD1-CG2 3.99Å; L212-T260 HydrophobicContact CD2-CG2 3.91Å; L212-T260 HydrophobicContact CG-CG2 4.03Å; L225-T260 HydrophobicContact CD1-CG2 4.32Å; L225-T260 WeakPolarHBondContact CD1-OG1 3.18Å; A250-T260 WeakPolarHBondContact O-CA 3.37Å; T251-T260 WeakPolarHBondContact CG2-OG1 3.45Å; T251-T260 PolarHBondContact OG1-OG1 2.91Å; T260-L262 HydrophobicContact CG2-CD1 4.2Å
261S98Very high97.4Very high66 Ų66108.4 Ų108.446%0.46251%0.51SS..EExtended strand (participates in β ladder)trans-95.4136.9179.5-590000109.8S249 A250S249-S261 WeakPolarHBondContact CA-O 3.49Å; S249-S261 WeakPolarHBondContact CB-O 3.38Å; A250-S261 PolarHBondContact N-O 2.95Å; A250-S261 PolarHBondContact O-N 2.8Å
262L98.3Very high97.4Very high83 Ų83115.1 Ų115.144%0.43554%0.541SS..EExtended strand (participates in β ladder)trans-112.1134173.1-7472.7000108.8L212 L248 T260 Y264L212-L262 HydrophobicContact CD1-CD1 3.95Å; L212-L262 HydrophobicContact CD1-CD2 4.36Å; L212-L262 HydrophobicContact CD1-CG 4.23Å; L212-L262 HydrophobicContact CD2-CD1 4.34Å; L248-L262 CarbonylContact O-C 3.56Å; L248-L262 WeakPolarHBondContact O-CA 3.45Å; T260-L262 HydrophobicContact CG2-CD1 4.2Å; L262-Y264 HydrophobicContact CB-CE2 4.18Å; L262-Y264 HydrophobicContact CD2-CE2 4.41Å
263L97.9Very high97.3Very high100 Ų100116.8 Ų116.852%0.52455%0.549SS..EExtended strand (participates in β ladder)trans-118.7122.5175.7175.965.6000109.3V247 L248V247-L263 WeakPolarHBondContact CA-O 3.46Å; L248-L263 PolarHBondContact N-O 3.42Å; L248-L263 PolarHBondContact O-N 3.42Å
264Y97.9Very high97.2Very high148 Ų148116.1 Ų116.158%0.5856%0.555SS**EExtended strand (participates in β ladder)trans-101.1120170.6-69.1-103.3000108.3V245 M246 V247 L262V245-Y264 HydrophobicContact CG1-CD1 4.1Å; M246-Y264 WeakPolarHBondContact O-CA 3.48Å; V247-Y264 HydrophobicContact CB-CD1 4.41Å; V247-Y264 HydrophobicContact CB-CE1 4.26Å; V247-Y264 HydrophobicContact CG1-CD1 4.2Å; V247-Y264 HydrophobicContact CG1-CD2 4.41Å; V247-Y264 HydrophobicContact CG1-CE1 3.82Å; V247-Y264 HydrophobicContact CG1-CE2 4.04Å; V247-Y264 HydrophobicContact CG1-CG 4.47Å; V247-Y264 HydrophobicContact CG2-CD1 3.47Å; V247-Y264 VanDerWaalsContact CG2-CD1 3.47Å; V247-Y264 HydrophobicContact CG2-CE1 3.39Å; V247-Y264 HydrophobicContact CG2-CG 4.31Å; L262-Y264 HydrophobicContact CB-CE2 4.18Å; L262-Y264 HydrophobicContact CD2-CE2 4.41Å
265K97.3Very high97.2Very high132 Ų132113.2 Ų113.257%0.57455%0.551SS**EExtended strand (participates in β ladder)trans-133.8123.6-177.5-173.8179.5174.51790110.6M246M246-K265 PolarHBondContact N-O 3.46Å; M246-K265 PolarHBondContact O-N 3.27Å
266P96.2Very high97.2Very high102 Ų102108.5 Ų108.566%0.66254%0.535SS*.EExtended strand (participates in β ladder)trans-61148.9170.5-2133000111.8G244G244-P266 WeakPolarHBondContact O-CA 3.46Å
267I90.6Very high97.2Very high152 Ų152100.9 Ų100.978%0.77951%0.508SS*.  trans-100.70177.2-53.3-178.4000110.3I241 G244 M246I241-I267 HydrophobicContact CB-CD1 4.28Å; I241-I267 HydrophobicContact CD1-CD1 3.47Å; I241-I267 VanDerWaalsContact CD1-CD1 3.47Å; I241-I267 HydrophobicContact CG1-CD1 3.79Å; I241-I267 HydrophobicContact CG2-CD1 3.48Å; I241-I267 VanDerWaalsContact CG2-CD1 3.48Å; G244-I267 PolarHBondContact O-N 3.08Å; M246-I267 HydrophobicContact CB-CD1 4.07Å; M246-I267 HydrophobicContact CB-CG1 4.07Å; M246-I267 HydrophobicContact CE-CD1 4.12Å; M246-I267 HydrophobicContact CE-CG1 4.45Å

Retrieved 267 of 267 residues in 152.2 ms (Link to these results)