A0A087WT23_HUMAN Loading...

UBX domain-containing protein 8

Involved in endoplasmic reticulum-associated degradation (ERAD) for misfolded lumenal proteins, possibly by tethering VCP to the endoplasmic reticulum membrane. May play a role in reproduction.

AlphaFold DB , UniProt , Accession A0A087WT23, Species HUMAN (Homo sapiens, Human), Gene UBXN8, Length 310 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low35.1Very low235 Ų235161.8 Ų161.8100%1.15886%0.864SS**  01000-77.7175.1171.700107.9
2L31.5Very low35.2Very low180 Ų180161.8 Ų161.894%0.94286%0.861SS**  trans-94118.7176.8-78.1153.5000107.3
3Y32.7Very low35Very low233 Ų233167.7 Ų167.791%0.91486%0.864SS**  trans-94.5112171-99-90.5000109.2
4S34.9Very low34.9Very low117 Ų117163.9 Ų163.982%0.81886%0.857SS**  trans-81.4108.2171.7390000109.9
5G34.3Very low35Very low64 Ų64159.9 Ų159.966%0.6685%0.845SS**  trans-98.5111.2171.700000110.9
6T36.4Very low35.1Very low140 Ų140165.7 Ų165.786%0.85985%0.852SS**  trans-79.1118.7179.515.40000110.8R8T6-R8 PolarHBondContact O-N 3.14Å
7W36Very low35.1Very low245 Ų245167.7 Ų167.793%0.92885%0.853SS**  trans-83.3111.7171.2-69.182.6000109.5
8R33.3Very low34.9Very low232 Ų232169.4 Ų169.488%0.87585%0.854SS**  trans-92.6104.3176.7-150.1-179-70.4-140.32.2108.6T6 V10T6-R8 PolarHBondContact O-N 3.14Å; R8-V10 PolarHBondContact O-N 3Å
9T37.9Very low35Very low136 Ų136165.6 Ų165.683%0.83485%0.85SS**  trans-72.7110.6173.332.50000110.1G11T9-G11 PolarHBondContact O-N 3.03Å
10V35.9Very low35.1Very low125 Ų125166.2 Ų166.276%0.75885%0.85SS**  trans-87.3105.5170.9178.10000108.2R8 I12R8-V10 PolarHBondContact O-N 3Å; V10-I12 PolarHBondContact O-N 3.1Å
11G32.8Very low35.1Very low73 Ų73164.2 Ų164.275%0.75384%0.84SS**  trans-67.8112173.700000111.2T9 R13T9-G11 PolarHBondContact O-N 3.03Å; G11-R13 PolarHBondContact O-N 3.36Å
12I35.4Very low34.8Very low162 Ų162158.6 Ų158.683%0.83182%0.822SS**  trans-76105.2170.8-60.9175.8000107.9V10 C14V10-I12 PolarHBondContact O-N 3.1Å; I12-C14 PolarHBondContact O-N 3.39Å
13R32.8Very low34.9Very low238 Ų238159 Ų15990%0.89882%0.819SS**  trans-77.4109.9175.3-164.2179.4-70.8-165.1-1.5108.5G11G11-R13 PolarHBondContact O-N 3.36Å
14C34.2Very low35Very low114 Ų114156.8 Ų156.877%0.7782%0.817SS**  trans-78.3124.2177.9-154.80000110.3I12 R16I12-C14 PolarHBondContact O-N 3.39Å; C14-R16 PolarHBondContact O-N 2.92Å
15P36.6Very low34.9Very low105 Ų105159.8 Ų159.868%0.68282%0.818SS**  trans-80.6116.6175.528.8-29000110.9K17P15-K17 PolarHBondContact O-N 3.33Å; P15-K17 VanDerWaalsContact O-N 3.14Å
16R36.1Very low35Very low252 Ų252165.8 Ų165.895%0.95183%0.829SS**  trans-52.6110.3164.8-84.5-179.9172.6178.8-2.3109.7C14C14-R16 PolarHBondContact O-N 2.92Å
17K35.3Very low34.7Very low200 Ų200164.9 Ų164.987%0.8783%0.827SS**PPolyproline II helixtrans-89.3122.7164.6-74.4-172.6177.7-176.50109.5P15P15-K17 PolarHBondContact O-N 3.33Å; P15-K17 VanDerWaalsContact O-N 3.14Å
18K31.7Very low34.5Very low199 Ų199159.2 Ų159.287%0.86582%0.823SS**PPolyproline II helixtrans-63.9129.9171.2-71.9175174.2-179.90109
19A37.1Very low34.5Very low96 Ų96156.3 Ų156.379%0.79382%0.824SS**PPolyproline II helixtrans-74126.1165.500000108.5
20Q35.6Very low34.1Very low178 Ų178156.6 Ų156.683%0.83282%0.815SS**  trans-120.1107.3170.6-166.1152-30.200107.7C22Q20-C22 PolarHBondContact O-N 3.47Å
21I36.3Very low34Very low125 Ų125160 Ų16064%0.64182%0.815SS**  trans-63.9121.5172.1-66.3160.1000107.3
22C33.3Very low34.4Very low117 Ų117162.2 Ų162.279%0.79182%0.815SS**  trans-104.1115.4163.6-92.30000108.4Q20 Q24Q20-C22 PolarHBondContact O-N 3.47Å; C22-Q24 PolarHBondContact O-N 2.98Å
23Q34.8Very low34.8Very low187 Ų187160 Ų16087%0.87481%0.811SS**  trans-56.1126166.3-80167.5-33.300109.8Q25Q23-Q25 PolarHBondContact O-N 3.46Å
24Q33.8Very low34.9Very low188 Ų188156.9 Ų156.988%0.87981%0.812SS**  trans-76.8113.6166.8-158.695.627.300107.5C22C22-Q24 PolarHBondContact O-N 2.98Å
25Q33.3Very low34.9Very low179 Ų179162.3 Ų162.384%0.83682%0.816SS**PPolyproline II helixtrans-87.7116.7169.7-161.1159.429.900107.4Q23 C27Q23-Q25 PolarHBondContact O-N 3.46Å; Q25-C27 PolarHBondContact O-N 3.33Å
26E35.7Very low34.9Very low190 Ų190165.2 Ų165.289%0.88883%0.825SS**PPolyproline II helixtrans-63.9116.7170.4-80.3170.2122.700109.1
27C31.1Very low34.8Very low121 Ų121165.1 Ų165.182%0.81883%0.825SS**PPolyproline II helixtrans-97.2120.5165.8-96.90000109.2Q25Q25-C27 PolarHBondContact O-N 3.33Å
28C31.2Very low34.7Very low126 Ų126158.3 Ų158.385%0.85181%0.812SS**PPolyproline II helixtrans-51136.9170.8-54.30000112.1
29I32.8Very low34.8Very low172 Ų172158.9 Ų158.988%0.88281%0.814SS**  trans-100.2111.8161.5-64179.3000106.9
30E31.3Very low34.6Very low141 Ų141157.9 Ų157.966%0.65981%0.814SS**  trans-104.2135.5170.7-136.1-153.6145.900109.9
31R32.9Very low34.5Very low198 Ų198153.9 Ų153.975%0.74781%0.811SS**  trans78.7160.8154.4-63.8-169.7-165-165.47.2120.3
32P41.1Very low34.5Very low118 Ų118151.9 Ų151.977%0.76681%0.813SS**  cis-130.5-179.13.615.511.9000116
33P43.8Very low34.5Very low115 Ų115153.6 Ų153.675%0.74781%0.814SS**  trans-97.9156.7-168.437.8-31.7000114
34L35.9Very low34.5Very low174 Ų174150.3 Ų150.391%0.91181%0.807SS**  trans-125.5121.2165.4-75.1174.5000112.2
35R32.6Very low34.5Very low227 Ų227147.7 Ų147.786%0.85780%0.804SS**  trans-4.5122.8159-75.1-179.3177.1176.2-0.7117.5
36L36.9Very low34.6Very low166 Ų166145.3 Ų145.387%0.86980%0.801SS**  63.7108.487.8-81.5163.8000115.1
37R33.3Very low35.8Very low250 Ų250141.7 Ų141.794%0.94379%0.794SS**  trans-135.3117.9148.8-149.1178.1-152.6-171.85.8108
38G34.3Very low35.9Very low58 Ų58146.8 Ų146.860%0.59880%0.797SS**  trans-94.4165.8-178.900000113.7
39F33.9Very low36.1Very low210 Ų210147.1 Ų147.192%0.92179%0.789SS**  trans-156.3117.7149.4-92.1-85000102.6
40G32.9Very low36.1Very low76 Ų76145.3 Ų145.378%0.78478%0.777SS**  71.8117.661.300000108.1
41A33.6Very low36.3Very low93 Ų93148.7 Ų148.777%0.76978%0.783SS**  cis-159.6146.717.400000107.8
42A35.1Very low36.8Very low84 Ų84144.6 Ų144.669%0.69478%0.783SS**  61.2134.2101.200000113.6
43L35.3Very low36.6Very low152 Ų152144.7 Ų144.780%0.79679%0.785SS**  cis-152.9137.735.3-83.999.6000108.9
44T34.8Very low36.8Very low118 Ų118145.1 Ų145.172%0.72479%0.787SS**  63.9112.589-31.70000114.5
45T33.2Very low37.9Very low134 Ų134142.1 Ų142.182%0.82278%0.779SS**  176125.7120.9-73.60000110.5
46T35.6Very low38.1Very low128 Ų128137.8 Ų137.879%0.78578%0.777SS**  trans-95.5-163.2175.248.30000109.9
47P60.8Low38.1Very low114 Ų114135.3 Ų135.374%0.7477%0.774SS**  -122.7-173-102.135.9-15000112.4
48R32.7Very low38.5Very low229 Ų229127.2 Ų127.286%0.86477%0.768SS**  trans133.4150.9158.8-85.3-171178.8-164.51.8110.9
49L34.8Very low38.8Very low133 Ų133129.1 Ų129.170%0.69678%0.778SS**  cis-171150.8-18.6-15498.1000104.4
50H33.2Very low39Very low134 Ų134126.3 Ų126.362%0.6277%0.773SS**  trans81.9110.5148.4-104-121.4000123.3
51R35.6Very low39.2Very low211 Ų211131.7 Ų131.780%0.79678%0.775SS**  60.4165.5127.4-80.2-164-163.3-178.54.3121.1
52P44Very low39.6Very low113 Ų113132.7 Ų132.773%0.73477%0.772SS**  cis-130.7176.1-42.235.7-17.8000112.5
53C35.7Very low40.3Very low120 Ų120132.9 Ų132.981%0.81177%0.768SS**  trans-62.2164.3172-55.40000113.6
54P48.5Very low40.6Very low123 Ų123136.1 Ų136.180%0.79977%0.77SS**  -146.4-178.689.338.5-18.2000114.4
55P59.6Low41.4Very low112 Ų112137.2 Ų137.273%0.72777%0.771SS**  trans-107.2165.7-149.641-33.5000114.4
56T35.9Very low42.5Very low136 Ų136138.3 Ų138.383%0.83477%0.771SS**  trans-172.7141.414317.40000113.2
57S38.2Very low43.4Very low113 Ų113139.7 Ų139.779%0.7977%0.766SS**  trans55.6116.9152.860.80000118.2
58G40.3Very low43.5Very low80 Ų80138.5 Ų138.583%0.82576%0.759SS**  85.283.852.500000109.1
59A41.8Very low44.7Very low98 Ų98134.4 Ų134.481%0.8176%0.762SS**  trans-156.5103.8161.600000108.8F61A59-F61 PolarHBondContact O-N 2.91Å
60D38.1Very low46Very low151 Ų151129.3 Ų129.381%0.80774%0.742SS**  trans-58.5117.5174.7-59.4-61.6000111.3T62D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 HydrophobicContact CB-CG2 4.48Å; D60-T62 PolarHBondContact O-N 3.15Å
61F36.7Very low47.9Very low190 Ų190125.3 Ų125.383%0.83373%0.725SS**  trans-90.969.2166.5-154.3-95000109.1A59 S63A59-F61 PolarHBondContact O-N 2.91Å; F61-S63 PolarHBondContact O-N 3.45Å
62T42.3Very low49.8Very low113 Ų113123.4 Ų123.469%0.69372%0.722SS**  trans-65.3113.7166.744.60000109.7D60D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 HydrophobicContact CB-CG2 4.48Å; D60-T62 PolarHBondContact O-N 3.15Å
63S49.3Very low51.6Low89 Ų89123.3 Ų123.362%0.62272%0.715SS**  4190.3129.9-156.60000116.2F61F61-S63 PolarHBondContact O-N 3.45Å
64R42.5Very low53.8Low219 Ų219124.8 Ų124.883%0.82671%0.708SS**  trans-103.7101.2148.4-86.7-172.5-90.9-177.4-6108.1L66R64-L66 PolarHBondContact O-N 3.04Å
65N51.2Low55.4Low142 Ų142124.5 Ų124.576%0.75970%0.699SS**  trans-55.4101.3165.7-73-52.5000109.1
66L54.8Low56.6Low156 Ų156124.3 Ų124.382%0.81769%0.691SS**  trans-11058.3168.1-159.179.9000108.9R64R64-L66 PolarHBondContact O-N 3.04Å
67F54.8Low59.1Low157 Ų157122.4 Ų122.469%0.68968%0.676SS**  trans-132.5111.5176.7-71.7-57.8000108.8I71F67-I71 HydrophobicContact CB-CD1 3.57Å; F67-I71 HydrophobicContact CD1-CD1 3.57Å; F67-I71 HydrophobicContact CG-CD1 3.99Å
68P63Low61.5Low90 Ų90120.2 Ų120.258%0.58466%0.66SS**  trans-56.6152.2179.817.5-31.4000113.6G70 I71P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.1Å; P68-I71 HydrophobicContact CG-CD1 3.74Å; P68-I71 HydrophobicContact CG-CG1 4.37Å; P68-I71 PolarHBondContact O-N 3.08Å
69P58.5Low64Low142 Ų142118.2 Ų118.292%0.92264%0.639SS**THydrogen-bonded Turntrans-65.6112.1-177.827.7-32.7000109.5
70G62.4Low66.6Low27 Ų27121.8 Ų121.828%0.27863%0.632SS.*THydrogen-bonded Turntrans138.1-16.9-176.500000113.4P68 K72 D73 F74P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.1Å; G70-K72 VanDerWaalsContact C-N 3.26Å; G70-K72 PolarHBondContact O-N 2.76Å; G70-D73 PolarHBondContact O-N 3.05Å; G70-D73 VanDerWaalsContact O-N 3.1Å; G70-F74 WeakPolarHBondContact O-CD2 3.31Å; G70-F74 PolarHBondContact O-N 3.33Å
71I72.4Confident69.3Low50 Ų50119.1 Ų119.126%0.25662%0.616SS.*Hα-helixtrans-63.8-29.4-177.2-74.1174.6000113.3F67 P68 D73 F74 L75F67-I71 HydrophobicContact CB-CD1 3.57Å; F67-I71 HydrophobicContact CD1-CD1 3.57Å; F67-I71 HydrophobicContact CG-CD1 3.99Å; P68-I71 HydrophobicContact CG-CD1 3.74Å; P68-I71 HydrophobicContact CG-CG1 4.37Å; P68-I71 PolarHBondContact O-N 3.08Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-F74 PolarHBondContact O-N 3.17Å; I71-L75 HydrophobicContact CG2-CD1 3.62Å; I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 WeakPolarHBondContact O-CD1 3.32Å; I71-L75 PolarHBondContact O-N 3.44Å
72K76.1Confident71.9Confident171 Ų171115.1 Ų115.174%0.74360%0.603SS**Hα-helixtrans-64.4-41175.3-63.7179.3-178.7-179.80111.3G70 L75 L76G70-K72 VanDerWaalsContact C-N 3.26Å; G70-K72 PolarHBondContact O-N 2.76Å; K72-L75 PolarHBondContact O-N 3.35Å; K72-L76 WeakPolarHBondContact O-CB 3.13Å; K72-L76 WeakPolarHBondContact O-CD1 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 2.91Å
73D80.7Confident74.4Confident111 Ų111114.9 Ų114.959%0.59460%0.597SS**Hα-helixtrans-71.7-36.4177.3-57.2-47.8000111.3G70 I71 L76 L77G70-D73 PolarHBondContact O-N 3.05Å; G70-D73 VanDerWaalsContact O-N 3.1Å; I71-D73 VanDerWaalsContact C-N 3.34Å; D73-L76 PolarHBondContact O-N 3.4Å; D73-L77 WeakPolarHBondContact O-CB 3.33Å; D73-L77 PolarHBondContact O-N 2.96Å
74F81.9Confident76.6Confident150 Ų150116.2 Ų116.266%0.65860%0.597SS**Hα-helixtrans-64.3-41.5170.6-85.7-81.1000112.7G70 I71 L77 C78G70-F74 WeakPolarHBondContact O-CD2 3.31Å; G70-F74 PolarHBondContact O-N 3.33Å; I71-F74 PolarHBondContact O-N 3.17Å; F74-L77 PolarHBondContact O-N 2.97Å; F74-C78 WeakPolarHBondContact O-CB 3.23Å; F74-C78 PolarHBondContact O-N 3.16Å
75L83.3Confident79.1Confident118 Ų118110.6 Ų110.662%0.61858%0.583SS**Hα-helixtrans-66.4-40.9175-10275.7000111.5I71 K72 C78 G79I71-L75 HydrophobicContact CG2-CD1 3.62Å; I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 WeakPolarHBondContact O-CD1 3.32Å; I71-L75 PolarHBondContact O-N 3.44Å; K72-L75 PolarHBondContact O-N 3.35Å; L75-C78 PolarHBondContact O-N 2.93Å; L75-G79 PolarHBondContact O-N 3.48Å
76L85.3Confident81.1Confident107 Ų107106.6 Ų106.656%0.5657%0.569SS**Hα-helixtrans-65.2-41.3175.8-78.3163.1000111.7K72 D73 R80K72-L76 WeakPolarHBondContact O-CB 3.13Å; K72-L76 WeakPolarHBondContact O-CD1 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 2.91Å; D73-L76 PolarHBondContact O-N 3.4Å; L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 3.09Å; L76-R80 VanDerWaalsContact O-N 3.09Å
77L88.3Confident83Confident97 Ų97103.3 Ų103.351%0.50855%0.552SS.*Hα-helixtrans-66.8-44.9175.9-173.565.2000111.3D73 F74 G79 R80 I81D73-L77 WeakPolarHBondContact O-CB 3.33Å; D73-L77 PolarHBondContact O-N 2.96Å; F74-L77 PolarHBondContact O-N 2.97Å; L77-G79 PolarHBondContact O-N 3.37Å; L77-R80 PolarHBondContact O-N 3.22Å; L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.46Å
78C88.7Confident85Confident66 Ų66100.4 Ų100.445%0.44654%0.543SS..Hα-helixtrans-60-44.9175.5-175.40000111.4F74 L75 R80 I81 L82F74-C78 WeakPolarHBondContact O-CB 3.23Å; F74-C78 PolarHBondContact O-N 3.16Å; L75-C78 PolarHBondContact O-N 2.93Å; C78-R80 VanDerWaalsContact C-N 3.34Å; C78-R80 PolarHBondContact O-N 3.23Å; C78-I81 PolarHBondContact O-N 2.91Å; C78-L82 WeakPolarHBondContact O-CG 3.02Å; C78-L82 PolarHBondContact O-N 2.61Å
79G93.3Very high86.5Confident39 Ų39100 Ų10040%0.40254%0.539SS..Hα-helixtrans-60.1-40.4175.800000113.1L75 L77 L82 L83L75-G79 PolarHBondContact O-N 3.48Å; L77-G79 PolarHBondContact O-N 3.37Å; G79-L82 PolarHBondContact O-N 3.12Å; G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 3.22Å
80R94.4Very high88.1Confident172 Ų17298.2 Ų98.265%0.64952%0.521SS*.Hα-helixtrans-66.1-41.5175-73.3176.7179.8176.71.4112.3L76 L77 C78 L83 L84L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 3.09Å; L76-R80 VanDerWaalsContact O-N 3.09Å; L77-R80 PolarHBondContact O-N 3.22Å; C78-R80 VanDerWaalsContact C-N 3.34Å; C78-R80 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.31Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 2.96Å
81I94.7Very high89.4Confident95 Ų95100.3 Ų100.349%0.48753%0.529SS..Hα-helixtrans-63.2-45.6176.8-67.1165.1000110.3L77 C78 L83 L84 L85L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.46Å; C78-I81 PolarHBondContact O-N 2.91Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.44Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.49Å
82L93.3Very high90.2Very high106 Ų106102 Ų10256%0.55554%0.538SS*.Hα-helixtrans-63.1-39.2177-68.8174.6000112C78 G79 L85 A86C78-L82 WeakPolarHBondContact O-CG 3.02Å; C78-L82 PolarHBondContact O-N 2.61Å; G79-L82 PolarHBondContact O-N 3.12Å; L82-L85 PolarHBondContact O-N 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.45Å
83L94.4Very high90.7Very high109 Ų10996.9 Ų96.957%0.57152%0.523SS*.Hα-helixtrans-64-44175.2-174.669.9000111.8G79 R80 I81 L85 A86 L87G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 3.22Å; R80-L83 PolarHBondContact O-N 3.31Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.44Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-A86 PolarHBondContact O-N 2.9Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.03Å
84L94.5Very high91Very high116 Ų11695.5 Ų95.561%0.60752%0.518SS*.Hα-helixtrans-63.6-39.8175.7-71.2172.9000111.4R80 I81 L87 L88R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 2.96Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-L87 PolarHBondContact O-N 3.23Å; L84-L88 VanDerWaalsContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.28Å
85L94.8Very high91.1Very high102 Ų10291.5 Ų91.553%0.53451%0.506SS..Hα-helixtrans-65.9-41176.8-144.177.3000111.5I81 L82 L83 L88 T89I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.49Å; L82-L85 PolarHBondContact O-N 3.31Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L85-L88 PolarHBondContact O-N 3.27Å; L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.15Å
86A94.7Very high90.8Very high57 Ų5788.8 Ų88.847%0.47150%0.495SS..Hα-helixtrans-64.6-44.2175.400000111.6L82 L83 T89 L90L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.45Å; L83-A86 PolarHBondContact O-N 2.9Å; A86-T89 PolarHBondContact O-N 3.17Å; A86-L90 WeakPolarHBondContact O-CB 3.5Å; A86-L90 PolarHBondContact O-N 2.96Å
87L94.8Very high90.2Very high87 Ų8787.5 Ų87.546%0.45549%0.494SS..Hα-helixtrans-64.3-40.9175-81.3160.3000112.3L83 L84 T89 L90 T91L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.03Å; L84-L87 PolarHBondContact O-N 3.23Å; L87-T89 VanDerWaalsContact C-N 3.35Å; L87-L90 PolarHBondContact O-N 2.75Å; L87-T91 WeakPolarHBondContact O-CB 3.22Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.43Å; L87-T91 PolarHBondContact O-N 3.19Å; L87-T91 PolarHBondContact O-OG1 2.89Å
88L95Very high89.4Confident97 Ų9790.5 Ų90.551%0.50850%0.499SS..Hα-helixtrans-64.2-42.8175.6-175.666.4000110.8L84 L85 L90 T91 I92L84-L88 VanDerWaalsContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 3.27Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.25Å; L88-T91 WeakPolarHBondContact CA-OG1 3.48Å; L88-T91 PolarHBondContact O-N 3.3Å; L88-T91 PolarHBondContact O-OG1 2.85Å; L88-I92 HydrophobicContact CD1-CD1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.91Å; L88-I92 WeakPolarHBondContact O-CB 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.74Å
89T94.8Very high88.4Confident80 Ų8092.1 Ų92.149%0.49150%0.503SS..Hα-helixtrans-65.5-40177.3-52.90000111.3L85 A86 L87 S93L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.15Å; A86-T89 PolarHBondContact O-N 3.17Å; L87-T89 VanDerWaalsContact C-N 3.35Å; T89-S93 VanDerWaalsContact O-CB 3.31Å; T89-S93 WeakPolarHBondContact O-CB 3.46Å; T89-S93 PolarHBondContact O-N 3.08Å; T89-S93 PolarHBondContact O-OG 3.17Å
90L92.4Very high87Confident105 Ų10595.4 Ų95.455%0.5551%0.511SS..Hα-helixtrans-66.4-44.8176-175.767000111.6A86 L87 L88 S93 V94A86-L90 WeakPolarHBondContact O-CB 3.5Å; A86-L90 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 2.75Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.25Å; L90-S93 PolarHBondContact O-N 3.31Å; L90-V94 HydrophobicContact CD1-CG2 4.39Å; L90-V94 WeakPolarHBondContact O-CB 3.38Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.64Å
91T89.9Confident85.5Confident71 Ų7191.7 Ų91.744%0.43651%0.512SS..Hα-helixtrans-66.1-40.8177.552.10000111.3L87 L88 S93 V94 T95L87-T91 WeakPolarHBondContact O-CB 3.22Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.43Å; L87-T91 PolarHBondContact O-N 3.19Å; L87-T91 PolarHBondContact O-OG1 2.89Å; L88-T91 WeakPolarHBondContact CA-OG1 3.48Å; L88-T91 PolarHBondContact O-N 3.3Å; L88-T91 PolarHBondContact O-OG1 2.85Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.02Å; T91-V94 PolarHBondContact O-N 2.79Å; T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.42Å; T91-T95 WeakPolarHBondContact O-CG2 3.3Å; T91-T95 PolarHBondContact O-N 2.81Å; T91-T95 PolarHBondContact O-OG1 2.93Å
92I90.2Very high83.7Confident87 Ų8794.4 Ų94.445%0.44652%0.52SS..Hα-helixtrans-62-42.7171.6-67.1166.2000110.3L88 T95 T96L88-I92 HydrophobicContact CD1-CD1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.91Å; L88-I92 WeakPolarHBondContact O-CB 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.74Å; I92-T95 WeakPolarHBondContact CA-OG1 3.33Å; I92-T95 PolarHBondContact O-N 3.46Å; I92-T95 PolarHBondContact O-OG1 3.44Å; I92-T96 HydrophobicContact CG2-CG2 3.83Å; I92-T96 WeakPolarHBondContact O-CA 3.42Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 2.81Å; I92-T96 PolarHBondContact O-OG1 3.09Å
93S84.8Confident81.9Confident62 Ų6296.7 Ų96.743%0.43453%0.526SS..Hα-helixtrans-65.6-43.5-179.8-60.20000112.1T89 L90 T91 T96 S97T89-S93 VanDerWaalsContact O-CB 3.31Å; T89-S93 WeakPolarHBondContact O-CB 3.46Å; T89-S93 PolarHBondContact O-N 3.08Å; T89-S93 PolarHBondContact O-OG 3.17Å; L90-S93 PolarHBondContact O-N 3.31Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.02Å; S93-T96 PolarHBondContact O-OG1 3Å; S93-S97 WeakPolarHBondContact O-CB 3.18Å; S93-S97 PolarHBondContact O-N 3.4Å
94V87.4Confident80.1Confident83 Ų8393.8 Ų93.850%0.50352%0.515SS..Hα-helixtrans-69.1-44177.5174.50000110.8L90 T91 W98L90-V94 HydrophobicContact CD1-CG2 4.39Å; L90-V94 WeakPolarHBondContact O-CB 3.38Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.64Å; T91-V94 PolarHBondContact O-N 2.79Å; V94-W98 WeakPolarHBondContact O-CB 3.34Å; V94-W98 PolarHBondContact O-N 3.2Å
95T84.8Confident78.5Confident65 Ų6593 Ų9340%0.39952%0.516SS..Hα-helixtrans-70.9-40.2179.555.90000112.2T91 I92 W98 L99T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.42Å; T91-T95 WeakPolarHBondContact O-CG2 3.3Å; T91-T95 PolarHBondContact O-N 2.81Å; T91-T95 PolarHBondContact O-OG1 2.93Å; I92-T95 WeakPolarHBondContact CA-OG1 3.33Å; I92-T95 PolarHBondContact O-N 3.46Å; I92-T95 PolarHBondContact O-OG1 3.44Å; T95-W98 PolarHBondContact O-N 3.12Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 WeakPolarHBondContact O-CD1 3.47Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 3.47Å
96T77Confident76.7Confident62 Ų6295.6 Ų95.638%0.3853%0.526SS..Hα-helixtrans-67.9-40.5174.255.80000111.4I92 S93 L99 N100I92-T96 HydrophobicContact CG2-CG2 3.83Å; I92-T96 WeakPolarHBondContact O-CA 3.42Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 2.81Å; I92-T96 PolarHBondContact O-OG1 3.09Å; S93-T96 PolarHBondContact O-OG1 3Å; T96-L99 PolarHBondContact O-N 3.23Å; T96-N100 WeakPolarHBondContact O-CB 3.37Å; T96-N100 PolarHBondContact O-N 3.03Å; T96-N100 PolarHBondContact O-ND2 2.81Å
97S72.3Confident74.8Confident79 Ų7997.5 Ų97.555%0.55253%0.531SS*.Hα-helixtrans-61.8-43.3173.5-175.80000111.7S93 S101S93-S97 WeakPolarHBondContact O-CB 3.18Å; S93-S97 PolarHBondContact O-N 3.4Å; S97-S101 VanDerWaalsContact O-CB 3.26Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 3.27Å
98W71.2Confident73.1Confident160 Ų160100.9 Ų100.961%0.60654%0.539SS*.Hα-helixtrans-70.3-41.6177.8-166.110.3000112.8V94 T95 S101 F102V94-W98 WeakPolarHBondContact O-CB 3.34Å; V94-W98 PolarHBondContact O-N 3.2Å; T95-W98 PolarHBondContact O-N 3.12Å; W98-S101 WeakPolarHBondContact O-CB 3.46Å; W98-S101 PolarHBondContact O-N 2.89Å; W98-F102 AromaticContact CD1-CD2 3.46Å; W98-F102 VanDerWaalsContact CD1-CD2 3.46Å; W98-F102 AromaticContact CD1-CE2 3.34Å; W98-F102 HydrophobicContact CD2-CE2 4.23Å; W98-F102 AromaticContact CE2-CE2 3.42Å; W98-F102 VanDerWaalsContact CE2-CE2 3.42Å; W98-F102 HydrophobicContact CG-CD2 4.24Å; W98-F102 HydrophobicContact CG-CE2 4.17Å; W98-F102 AromaticContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CZ 4.4Å; W98-F102 AromaticContact NE1-CD2 3.51Å; W98-F102 AromaticContact NE1-CE2 2.84Å; W98-F102 AromaticContact NE1-CZ 3.45Å; W98-F102 WeakPolarHBondContact O-CD2 3.44Å; W98-F102 PolarHBondContact O-N 3.37Å
99L68.6Low71.7Confident101 Ų101101.4 Ų101.453%0.52954%0.542SS..Hα-helixtrans-67.7-36.8175-72.2168.3000111.9T95 T96 S101 F102 K103T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 WeakPolarHBondContact O-CD1 3.47Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 3.47Å; T96-L99 PolarHBondContact O-N 3.23Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-F102 PolarHBondContact O-N 3.11Å; L99-K103 WeakPolarHBondContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.69Å
100N63.1Low70.3Confident108 Ų108104.7 Ų104.758%0.57855%0.549SS*.Hα-helixtrans-71.9-27.5172.8-69.9-26.3000111.6T96 K103T96-N100 WeakPolarHBondContact O-CB 3.37Å; T96-N100 PolarHBondContact O-N 3.03Å; T96-N100 PolarHBondContact O-ND2 2.81Å; N100-K103 VanDerWaalsContact O-O 3.06Å
101S62.2Low69.4Low94 Ų94106.1 Ų106.166%0.65755%0.553SS**Hα-helixtrans-72.9-34.2171179.10000112.4S97 W98 L99S97-S101 VanDerWaalsContact O-CB 3.26Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 3.27Å; W98-S101 WeakPolarHBondContact O-CB 3.46Å; W98-S101 PolarHBondContact O-N 2.89Å; L99-S101 VanDerWaalsContact C-N 3.31Å
102F58.5Low68.7Low151 Ų151107.7 Ų107.766%0.66256%0.555SS**Hα-helixtrans-79.9-33.8175.5-84.6-58.6000113.1W98 L99 S104W98-F102 AromaticContact CD1-CD2 3.46Å; W98-F102 VanDerWaalsContact CD1-CD2 3.46Å; W98-F102 AromaticContact CD1-CE2 3.34Å; W98-F102 HydrophobicContact CD2-CE2 4.23Å; W98-F102 AromaticContact CE2-CE2 3.42Å; W98-F102 VanDerWaalsContact CE2-CE2 3.42Å; W98-F102 HydrophobicContact CG-CD2 4.24Å; W98-F102 HydrophobicContact CG-CE2 4.17Å; W98-F102 AromaticContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CZ 4.4Å; W98-F102 AromaticContact NE1-CD2 3.51Å; W98-F102 AromaticContact NE1-CE2 2.84Å; W98-F102 AromaticContact NE1-CZ 3.45Å; W98-F102 WeakPolarHBondContact O-CD2 3.44Å; W98-F102 PolarHBondContact O-N 3.37Å; L99-F102 PolarHBondContact O-N 3.11Å; F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.81Å
103K55.8Low68.1Low155 Ų155107.8 Ų107.867%0.67455%0.554SS**SBendtrans-76.581.4169.3-71.5-175.1179.4-177.70108.4L99 N100 P105L99-K103 WeakPolarHBondContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.69Å; N100-K103 VanDerWaalsContact O-O 3.06Å; K103-P105 WeakPolarHBondContact O-CD 3.37Å; K103-P105 VanDerWaalsContact O-N 3.14Å
104S54.9Low68.1Low48 Ų48109.4 Ų109.434%0.33656%0.555SS.*  trans-51.7126.4173.885.70000108.6F102 Q106 V107F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.81Å; S104-Q106 PolarHBondContact O-N 3.39Å; S104-V107 PolarHBondContact O-N 3.33Å; S104-V107 VanDerWaalsContact O-N 3.17Å; S104-V107 WeakPolarHBondContact OG-CG2 3.3Å; S104-V107 PolarHBondContact OG-N 2.94Å
105P60.8Low68.1Low98 Ų98111.3 Ų111.364%0.63656%0.556SS**Hα-helixtrans-55-23.8179.6-27.734.4000112.6K103 L109K103-P105 WeakPolarHBondContact O-CD 3.37Å; K103-P105 VanDerWaalsContact O-N 3.14Å; P105-L109 WeakPolarHBondContact O-CB 3.32Å; P105-L109 WeakPolarHBondContact O-CD1 3.37Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.2Å; P105-L109 PolarHBondContact O-N 3.4Å
106Q56.9Low68.3Low158 Ų158111.7 Ų111.774%0.73856%0.556SS**Hα-helixtrans-72.3-31.4-176.2-148.5-173.145.100113.9S104 K110S104-Q106 PolarHBondContact O-N 3.39Å; Q106-K110 VanDerWaalsContact O-CB 3.23Å; Q106-K110 WeakPolarHBondContact O-CB 3.36Å; Q106-K110 PolarHBondContact O-N 3.1Å
107V56.4Low69Low96 Ų96113 Ų11358%0.58256%0.557SS**Hα-helixtrans-80-41-178173.50000111.3S104 K110 E111S104-V107 PolarHBondContact O-N 3.33Å; S104-V107 VanDerWaalsContact O-N 3.17Å; S104-V107 WeakPolarHBondContact OG-CG2 3.3Å; S104-V107 PolarHBondContact OG-N 2.94Å; V107-K110 PolarHBondContact O-N 3.36Å; V107-E111 PolarHBondContact O-N 3.38Å
108Y59.1Low70Confident159 Ų159115.1 Ų115.162%0.62456%0.557SS**Hα-helixtrans-68.2-45178.3-173.3-96.2000112.2K110 E111 E112Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 3.25Å; Y108-E111 PolarHBondContact O-N 3.03Å; Y108-E112 PolarHBondContact O-N 3.3Å
109L64.8Low71Confident107 Ų107115.3 Ų115.356%0.5656%0.557SS**Hα-helixtrans-61.4-38.2177.4-75.5173.3000112.2P105 E112 E113P105-L109 WeakPolarHBondContact O-CB 3.32Å; P105-L109 WeakPolarHBondContact O-CD1 3.37Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.2Å; P105-L109 PolarHBondContact O-N 3.4Å; L109-E112 PolarHBondContact O-N 2.79Å; L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.49Å; L109-E113 PolarHBondContact O-N 3.22Å
110K66.1Low72.1Confident149 Ų149115 Ų11565%0.64855%0.553SS**Hα-helixtrans-71.4-36.8-178.3-165.8172.5-174.2175.80112.6Q106 V107 Y108 E114Q106-K110 VanDerWaalsContact O-CB 3.23Å; Q106-K110 WeakPolarHBondContact O-CB 3.36Å; Q106-K110 PolarHBondContact O-N 3.1Å; V107-K110 PolarHBondContact O-N 3.36Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 3.25Å; K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 PolarHBondContact O-N 2.85Å
111E73.6Confident73.6Confident135 Ų135115.5 Ų115.563%0.63155%0.55SS**Hα-helixtrans-69.3-39.2174.9-168.8180173.100111.5V107 Y108 K115V107-E111 PolarHBondContact O-N 3.38Å; Y108-E111 PolarHBondContact O-N 3.03Å; E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 3.04Å
112E74.9Confident75.2Confident104 Ų104115.6 Ų115.649%0.48654%0.543SS..Hα-helixtrans-68.9-39.8176.5-162.7177.2-167.200112.1Y108 L109 K115 N116Y108-E112 PolarHBondContact O-N 3.3Å; L109-E112 PolarHBondContact O-N 2.79Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-N116 WeakPolarHBondContact O-CB 3.46Å; E112-N116 PolarHBondContact O-N 3.01Å
113E78.3Confident76.9Confident89 Ų89112.8 Ų112.842%0.41654%0.538SS..Hα-helixtrans-61.4-47.6174.4-169.6179.1-176.700111.4L109 K115 N116 E117L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.49Å; L109-E113 PolarHBondContact O-N 3.22Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 2.92Å; E113-N116 WeakPolarHBondContact CA-ND2 3.41Å; E113-N116 PolarHBondContact O-N 3.04Å; E113-N116 PolarHBondContact O-ND2 3.25Å; E113-N116 PolarHBondContact O-OD1 2.92Å; E113-N116 VanDerWaalsContact O-OD1 3.14Å; E113-E117 WeakPolarHBondContact O-CB 3.23Å; E113-E117 PolarHBondContact O-N 3.22Å
114E84Confident78.8Confident96 Ų96112.5 Ų112.545%0.44953%0.533SS..Hα-helixtrans-62.4-39.4177.4-172.1-176.4159.400111.8K110 E117 K118K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 PolarHBondContact O-N 2.85Å; E114-E117 PolarHBondContact O-N 3.46Å; E114-K118 HydrophobicContact CG-CD 4.39Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.21Å; E114-K118 IonicContact OE1-NZ 2.63Å; E114-K118 PolarHBondContact OE1-NZ 2.96Å
115K86.8Confident80.8Confident124 Ų124116 Ų11654%0.53954%0.542SS..Hα-helixtrans-67.8-37.8176.9-168.7176.9-177.5177.10111.6E111 E112 E113 E117 R119E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 3.04Å; E112-K115 PolarHBondContact O-N 2.93Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 2.92Å; K115-E117 VanDerWaalsContact C-N 3.33Å; K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.25Å; K115-R119 VanDerWaalsContact O-N 3.09Å
116N89.2Confident82.5Confident72 Ų72117.5 Ų117.539%0.38554%0.538SS..Hα-helixtrans-64.5-41.317493.935.6000110.4E112 E113 K118 R119 Q120E112-N116 WeakPolarHBondContact O-CB 3.46Å; E112-N116 PolarHBondContact O-N 3.01Å; E113-N116 WeakPolarHBondContact CA-ND2 3.41Å; E113-N116 PolarHBondContact O-N 3.04Å; E113-N116 PolarHBondContact O-ND2 3.25Å; E113-N116 PolarHBondContact O-OD1 2.92Å; E113-N116 VanDerWaalsContact O-OD1 3.14Å; N116-K118 PolarHBondContact O-N 3.47Å; N116-R119 WeakPolarHBondContact O-CB 3.28Å; N116-R119 PolarHBondContact O-N 2.89Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 2.96Å
117E91.8Very high84.3Confident89 Ų89115.9 Ų115.942%0.41653%0.531SS..Hα-helixtrans-68.8-42-175.9-164.9-165.5159.700110E113 E114 K115 R119 Q120 K121E113-E117 WeakPolarHBondContact O-CB 3.23Å; E113-E117 PolarHBondContact O-N 3.22Å; E114-E117 PolarHBondContact O-N 3.46Å; K115-E117 VanDerWaalsContact C-N 3.33Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.23Å; E117-Q120 PolarHBondContact O-N 3.5Å; E117-K121 HydrophobicContact CG-CD 4.36Å; E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 WeakPolarHBondContact O-CG 3.27Å; E117-K121 PolarHBondContact O-N 3.41Å; E117-K121 WeakPolarHBondContact OE1-CE 3.43Å; E117-K121 IonicContact OE1-NZ 3.92Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å
118K94.1Very high86.2Confident125 Ų125118.4 Ų118.454%0.54354%0.536SS..Hα-helixtrans-58.9-43.2172.3-74.8172.8-177.3169.30111.9E114 N116 K121 L122E114-K118 HydrophobicContact CG-CD 4.39Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.21Å; E114-K118 IonicContact OE1-NZ 2.63Å; E114-K118 PolarHBondContact OE1-NZ 2.96Å; N116-K118 PolarHBondContact O-N 3.47Å; K118-K121 PolarHBondContact O-N 2.74Å; K118-L122 WeakPolarHBondContact O-CB 3.37Å; K118-L122 PolarHBondContact O-N 2.75Å
119R92.2Very high87.9Confident164 Ų164115.9 Ų115.962%0.61953%0.53SS*.Hα-helixtrans-63.2-46176.4-75.3175.9176.4-145.1-2.6111.4K115 N116 E117 L122 V123K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.25Å; K115-R119 VanDerWaalsContact O-N 3.09Å; N116-R119 WeakPolarHBondContact O-CB 3.28Å; N116-R119 PolarHBondContact O-N 2.89Å; N116-R119 VanDerWaalsContact O-N 3.17Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.23Å; R119-L122 PolarHBondContact O-N 3.47Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.26Å
120Q90.3Very high89.4Confident94 Ų94112.9 Ų112.944%0.43952%0.521SS..Hα-helixtrans-63.6-42.9177.7-67-174.516.900112.2N116 E117 L122 V123 R124N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 2.96Å; E117-Q120 PolarHBondContact O-N 3.5Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.39Å; Q120-V123 PolarHBondContact O-N 3.01Å; Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.39Å
121K95.1Very high90.7Very high118 Ų118111 Ų11151%0.51352%0.515SS..Hα-helixtrans-59.8-42.2174.9-78.2171.3169167.30111.7E117 K118 R124 K125E117-K121 HydrophobicContact CG-CD 4.36Å; E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 WeakPolarHBondContact O-CG 3.27Å; E117-K121 PolarHBondContact O-N 3.41Å; E117-K121 WeakPolarHBondContact OE1-CE 3.43Å; E117-K121 IonicContact OE1-NZ 3.92Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å; K118-K121 PolarHBondContact O-N 2.74Å; K121-R124 PolarHBondContact O-N 2.94Å; K121-K125 WeakPolarHBondContact O-CB 3.32Å; K121-K125 PolarHBondContact O-N 3.33Å
122L95.8Very high91.8Very high96 Ų96106.2 Ų106.250%0.50350%0.501SS..Hα-helixtrans-63.2-43.5177.2-17666.2000112K118 R119 Q120 K125 K126K118-L122 WeakPolarHBondContact O-CB 3.37Å; K118-L122 PolarHBondContact O-N 2.75Å; R119-L122 PolarHBondContact O-N 3.47Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.39Å; L122-K125 PolarHBondContact O-N 3.25Å; L122-K126 WeakPolarHBondContact O-CG 3.28Å; L122-K126 PolarHBondContact O-N 2.84Å
123V95Very high92.9Very high93 Ų93106.3 Ų106.356%0.56450%0.502SS*.Hα-helixtrans-61.8-47.4177.3172.10000110.7R119 Q120 K125 K126 Q127R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.26Å; Q120-V123 PolarHBondContact O-N 3.01Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.35Å; V123-K126 PolarHBondContact O-N 3Å; V123-Q127 WeakPolarHBondContact O-CB 3.49Å; V123-Q127 PolarHBondContact O-N 2.91Å
124R95Very high93.8Very high149 Ų149108 Ų10856%0.56251%0.507SS*.Hα-helixtrans-59.6-43.9177.1-70.3-179-177.1105.23.8111.9Q120 K121 Q127 Q128Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.39Å; K121-R124 PolarHBondContact O-N 2.94Å; R124-Q127 PolarHBondContact O-N 2.99Å; R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.36Å
125K97Very high94.3Very high122 Ų122105.9 Ų105.953%0.5351%0.507SS..Hα-helixtrans-61.9-48.2177.7-177.4174.9172.6178.20111.8K121 L122 V123 Q127 Q128 E129K121-K125 WeakPolarHBondContact O-CB 3.32Å; K121-K125 PolarHBondContact O-N 3.33Å; L122-K125 PolarHBondContact O-N 3.25Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.35Å; K125-Q127 VanDerWaalsContact C-N 3.29Å; K125-Q127 PolarHBondContact O-N 2.85Å; K125-Q128 PolarHBondContact O-N 3.49Å; K125-Q128 VanDerWaalsContact O-N 3.17Å; K125-E129 WeakPolarHBondContact CE-OE1 3.49Å; K125-E129 HydrophobicContact CG-CG 4.5Å; K125-E129 IonicContact NZ-OE1 2.62Å; K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.25Å
126K96.6Very high94.8Very high129 Ų129103.3 Ų103.356%0.56150%0.504SS*.Hα-helixtrans-59.9-39.7176.7-75.5-173.9175.7-170.80112.3L122 V123 E129 A130L122-K126 WeakPolarHBondContact O-CG 3.28Å; L122-K126 PolarHBondContact O-N 2.84Å; V123-K126 PolarHBondContact O-N 3Å; K126-E129 PolarHBondContact O-N 2.83Å; K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 2.89Å
127Q94.4Very high95.2Very high123 Ų123106 Ų10658%0.57551%0.509SS*.Hα-helixtrans-66-41.8176.8-169.6173.66.100111.5V123 R124 K125 A130 Q131V123-Q127 WeakPolarHBondContact O-CB 3.49Å; V123-Q127 PolarHBondContact O-N 2.91Å; R124-Q127 PolarHBondContact O-N 2.99Å; K125-Q127 VanDerWaalsContact C-N 3.29Å; K125-Q127 PolarHBondContact O-N 2.85Å; Q127-A130 PolarHBondContact O-N 3.29Å; Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 3.05Å
128Q95.4Very high95.4Very high150 Ų150107.9 Ų107.970%0.70151%0.513SS*.Hα-helixtrans-65.1-41.3176-171.9175.74.600112R124 K125 Q131 G132R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.36Å; K125-Q128 PolarHBondContact O-N 3.49Å; K125-Q128 VanDerWaalsContact O-N 3.17Å; Q128-Q131 PolarHBondContact O-N 3.38Å; Q128-G132 PolarHBondContact O-N 3.09Å
129E96.5Very high95.6Very high105 Ų105106 Ų10649%0.49151%0.508SS..Hα-helixtrans-61.8-45.6174.7-74.3170.917800111.3K125 K126 Q131 G132 E133K125-E129 WeakPolarHBondContact CE-OE1 3.49Å; K125-E129 HydrophobicContact CG-CG 4.5Å; K125-E129 IonicContact NZ-OE1 2.62Å; K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.25Å; K126-E129 PolarHBondContact O-N 2.83Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.03Å; E129-G132 PolarHBondContact O-N 2.67Å; E129-E133 WeakPolarHBondContact O-CB 3.26Å; E129-E133 PolarHBondContact O-N 2.69Å
130A96.1Very high95.8Very high45 Ų45103.5 Ų103.537%0.37250%0.504SS..Hα-helixtrans-62.4-37.7177.300000112.7K126 Q127 K134K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 2.89Å; Q127-A130 PolarHBondContact O-N 3.29Å; A130-K134 WeakPolarHBondContact O-CG 3.45Å; A130-K134 PolarHBondContact O-N 2.98Å
131Q93.7Very high96Very high110 Ų110104.4 Ų104.451%0.51451%0.512SS..Hα-helixtrans-70.5-40.8174.3-66.7-67.50.300111.8Q127 Q128 E129 E133 K134 A135Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 3.05Å; Q128-Q131 PolarHBondContact O-N 3.38Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.03Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.81Å; Q131-K134 PolarHBondContact O-N 2.86Å; Q131-A135 PolarHBondContact O-N 3.02Å
132G96.6Very high96Very high34 Ų34102.1 Ų102.135%0.35151%0.507SS..Hα-helixtrans-60.4-42.9174.800000112Q128 E129 K134 A135 S136Q128-G132 PolarHBondContact O-N 3.09Å; E129-G132 PolarHBondContact O-N 2.67Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 2.84Å; G132-A135 PolarHBondContact O-N 3.2Å; G132-S136 WeakPolarHBondContact O-CB 3.35Å; G132-S136 PolarHBondContact O-N 3.47Å; G132-S136 PolarHBondContact O-OG 3.03Å; G132-S136 VanDerWaalsContact O-OG 3.09Å
133E96.9Very high96Very high105 Ų105100.9 Ų100.949%0.49150%0.501SS..Hα-helixtrans-64.4-38.9177.4-163.7-161.6134.800112.1E129 Q131 S136 R137E129-E133 WeakPolarHBondContact O-CB 3.26Å; E129-E133 PolarHBondContact O-N 2.69Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.81Å; E133-S136 PolarHBondContact O-N 2.8Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 WeakPolarHBondContact O-CG 3.32Å; E133-R137 PolarHBondContact O-N 2.95Å; E133-R137 IonicContact OE1-CZ 3.19Å; E133-R137 IonicContact OE1-NE 3.33Å; E133-R137 PolarHBondContact OE1-NE 3.48Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 3.24Å
134K96.4Very high96.1Very high124 Ų124100.9 Ų100.954%0.53949%0.493SS..Hα-helixtrans-63-44.5173.1-73175.2-178.3-175.10111.6A130 Q131 G132 R137 Y138A130-K134 WeakPolarHBondContact O-CG 3.45Å; A130-K134 PolarHBondContact O-N 2.98Å; Q131-K134 PolarHBondContact O-N 2.86Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 2.84Å; K134-R137 PolarHBondContact O-N 3.11Å; K134-Y138 PolarHBondContact O-N 2.91Å
135A96.5Very high96.2Very high52 Ų5296.5 Ų96.543%0.4348%0.484SS..Hα-helixtrans-63.5-45.4177.100000111.5Q131 G132 R137 Y138 I139Q131-A135 PolarHBondContact O-N 3.02Å; G132-A135 PolarHBondContact O-N 3.2Å; A135-R137 PolarHBondContact O-N 2.89Å; A135-Y138 PolarHBondContact O-N 3.47Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.41Å
136S97.1Very high96.1Very high71 Ų7195.6 Ų95.650%0.49748%0.482SS..Hα-helixtrans-60.7-44.9176-64.20000111.9G132 E133 Y138 I139 E140G132-S136 WeakPolarHBondContact O-CB 3.35Å; G132-S136 PolarHBondContact O-N 3.47Å; G132-S136 PolarHBondContact O-OG 3.03Å; G132-S136 VanDerWaalsContact O-OG 3.09Å; E133-S136 PolarHBondContact O-N 2.8Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.84Å; S136-I139 PolarHBondContact O-N 2.94Å; S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 2.95Å
137R97.3Very high96.1Very high128 Ų12895.3 Ų95.348%0.48348%0.482SS..Hα-helixtrans-59.5-39.7175-84.4-169.3-87.5-176.1-12.7112.4E133 K134 A135 N141E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 WeakPolarHBondContact O-CG 3.32Å; E133-R137 PolarHBondContact O-N 2.95Å; E133-R137 IonicContact OE1-CZ 3.19Å; E133-R137 IonicContact OE1-NE 3.33Å; E133-R137 PolarHBondContact OE1-NE 3.48Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 3.24Å; K134-R137 PolarHBondContact O-N 3.11Å; A135-R137 PolarHBondContact O-N 2.89Å; R137-N141 VanDerWaalsContact O-CB 3.26Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 3.3Å
138Y96.5Very high96.2Very high129 Ų12995.1 Ų95.151%0.50648%0.481SS..Hα-helixtrans-66.7-44.1176.7-179.8-100.1000112.1K134 A135 S136 E140 V142 L143K134-Y138 PolarHBondContact O-N 2.91Å; A135-Y138 PolarHBondContact O-N 3.47Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.84Å; Y138-E140 VanDerWaalsContact C-N 3.3Å; Y138-E140 PolarHBondContact O-N 2.96Å; Y138-V142 HydrophobicContact CD2-CB 3.93Å; Y138-V142 HydrophobicContact CD2-CG1 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.69Å; Y138-V142 HydrophobicContact CE2-CB 3.78Å; Y138-V142 HydrophobicContact CE2-CG1 3.77Å; Y138-V142 HydrophobicContact CE2-CG2 3.81Å; Y138-V142 WeakPolarHBondContact O-CA 3.3Å; Y138-V142 VanDerWaalsContact O-CB 3.3Å; Y138-V142 WeakPolarHBondContact O-CB 3.48Å; Y138-V142 PolarHBondContact O-N 2.97Å; Y138-L143 HydrophobicContact CD1-CD1 4.12Å; Y138-L143 HydrophobicContact CD1-CG 4.06Å; Y138-L143 HydrophobicContact CE1-CD1 3.91Å; Y138-L143 HydrophobicContact CE1-CD2 3.76Å; Y138-L143 HydrophobicContact CE1-CG 3.7Å; Y138-L143 PolarHBondContact O-N 2.9Å
139I96.6Very high96.1Very high85 Ų8592.9 Ų92.944%0.43647%0.472SS..Iπ-helixtrans-58.9-45.5176.6-67.4163000110.4A135 S136 L143 K144A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.41Å; S136-I139 PolarHBondContact O-N 2.94Å; I139-L143 HydrophobicContact CG1-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.23Å; I139-L143 PolarHBondContact O-N 3.27Å; I139-K144 PolarHBondContact O-N 3.38Å
140E96.2Very high96.1Very high112 Ų11294.1 Ų94.152%0.52348%0.476SS..Iπ-helixtrans-75.8-41.2-175.8-173.2157.2-134.600113.9S136 Y138 K144 P145S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 2.95Å; Y138-E140 VanDerWaalsContact C-N 3.3Å; Y138-E140 PolarHBondContact O-N 2.96Å; E140-K144 IonicContact OE1-NZ 3.92Å; E140-P145 VanDerWaalsContact O-CD 3.23Å; E140-P145 WeakPolarHBondContact O-CD 3.26Å
141N96.3Very high96.2Very high113 Ų11397.7 Ų97.760%0.60449%0.488SS*.Iπ-helixtrans-92.1-19.7-173.6-64.4-18000113.8R137R137-N141 VanDerWaalsContact O-CB 3.26Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 3.3Å
142V95Very high96.2Very high69 Ų69100.3 Ų100.342%0.41849%0.493SS..Iπ-helixtrans-117.4-53.7-175.8-174.20000111.1Y138 H146Y138-V142 HydrophobicContact CD2-CB 3.93Å; Y138-V142 HydrophobicContact CD2-CG1 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.69Å; Y138-V142 HydrophobicContact CE2-CB 3.78Å; Y138-V142 HydrophobicContact CE2-CG1 3.77Å; Y138-V142 HydrophobicContact CE2-CG2 3.81Å; Y138-V142 WeakPolarHBondContact O-CA 3.3Å; Y138-V142 VanDerWaalsContact O-CB 3.3Å; Y138-V142 WeakPolarHBondContact O-CB 3.48Å; Y138-V142 PolarHBondContact O-N 2.97Å; V142-H146 VanDerWaalsContact O-CB 3.27Å; V142-H146 WeakPolarHBondContact O-CB 3.25Å; V142-H146 PolarHBondContact O-N 3.33Å
143L95.4Very high96.1Very high71 Ų71104.2 Ų104.237%0.37250%0.5SS..Iπ-helixtrans-73.6-49.1-172.8-60.4-177.6000112.5Y138 I139 H146 Q147Y138-L143 HydrophobicContact CD1-CD1 4.12Å; Y138-L143 HydrophobicContact CD1-CG 4.06Å; Y138-L143 HydrophobicContact CE1-CD1 3.91Å; Y138-L143 HydrophobicContact CE1-CD2 3.76Å; Y138-L143 HydrophobicContact CE1-CG 3.7Å; Y138-L143 PolarHBondContact O-N 2.9Å; I139-L143 HydrophobicContact CG1-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.23Å; I139-L143 PolarHBondContact O-N 3.27Å; L143-H146 PolarHBondContact O-N 3.03Å; L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 2.93Å
144K96.4Very high96.1Very high93 Ų93104.7 Ų104.740%0.40451%0.506SS..Hα-helixtrans-59.2-51.4179.5-75.7-175.5-174.6175.70112.6I139 E140 H146 Q147 E148I139-K144 PolarHBondContact O-N 3.38Å; E140-K144 IonicContact OE1-NZ 3.92Å; K144-H146 PolarHBondContact O-N 2.78Å; K144-Q147 PolarHBondContact O-N 3.31Å; K144-Q147 VanDerWaalsContact O-N 3.09Å; K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 2.99Å
145P98Very high95.9Very high56 Ų56103.2 Ų103.236%0.36450%0.501SS..Hα-helixtrans-62.8-34.4-179-25.337.3000112.2E140 M149E140-P145 VanDerWaalsContact O-CD 3.23Å; E140-P145 WeakPolarHBondContact O-CD 3.26Å; P145-M149 WeakPolarHBondContact O-CB 3.43Å; P145-M149 PolarHBondContact O-N 2.73Å
146H95.1Very high95.7Very high104 Ų104104.6 Ų104.648%0.48150%0.498SS..Hα-helixtrans-68.4-39.2176.4-173.7-111.6000112.1V142 L143 K144 K150V142-H146 VanDerWaalsContact O-CB 3.27Å; V142-H146 WeakPolarHBondContact O-CB 3.25Å; V142-H146 PolarHBondContact O-N 3.33Å; L143-H146 PolarHBondContact O-N 3.03Å; K144-H146 PolarHBondContact O-N 2.78Å; H146-K150 WeakPolarHBondContact CE1-CE 3.47Å; H146-K150 WeakPolarHBondContact O-CG 3.31Å; H146-K150 PolarHBondContact O-N 2.85Å; H146-K150 VanDerWaalsContact O-N 3.12Å
147Q95.3Very high95.5Very high122 Ų122109.9 Ų109.957%0.5751%0.507SS*.Hα-helixtrans-66.6-45.5173.5-73178.7-37.800111.8L143 K144 M149 K150 L151L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 2.93Å; K144-Q147 PolarHBondContact O-N 3.31Å; K144-Q147 VanDerWaalsContact O-N 3.09Å; Q147-M149 PolarHBondContact O-N 2.92Å; Q147-K150 WeakPolarHBondContact O-CB 3.26Å; Q147-K150 PolarHBondContact O-N 3.5Å; Q147-L151 PolarHBondContact O-N 3.08Å
148E95.9Very high95.4Very high119 Ų119109.7 Ų109.756%0.55651%0.51SS*.Hα-helixtrans-62.1-42.3176.8-72.7176.5-16900111.7K144 K150 L151 R152K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 2.99Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.92Å; E148-L151 PolarHBondContact O-N 3.16Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 WeakPolarHBondContact O-CG 3.3Å; E148-R152 PolarHBondContact O-N 3.23Å
149M95.2Very high95.1Very high103 Ų103106.1 Ų106.151%0.50750%0.496SS..Hα-helixtrans-62.1-38.2175.5-176.1-174.8-65.600111.8P145 Q147 K153P145-M149 WeakPolarHBondContact O-CB 3.43Å; P145-M149 PolarHBondContact O-N 2.73Å; Q147-M149 PolarHBondContact O-N 2.92Å; M149-K153 HydrophobicContact CG-CD 4.41Å; M149-K153 WeakPolarHBondContact O-CB 3.43Å; M149-K153 WeakPolarHBondContact O-CG 3.41Å; M149-K153 PolarHBondContact O-N 2.98Å
150K96.2Very high94.8Very high132 Ų132107.9 Ų107.957%0.57450%0.503SS*.Hα-helixtrans-64.7-43.8175.2-77.8-179.7175.6-175.70111.7H146 Q147 E148 K153 L154H146-K150 WeakPolarHBondContact CE1-CE 3.47Å; H146-K150 WeakPolarHBondContact O-CG 3.31Å; H146-K150 PolarHBondContact O-N 2.85Å; H146-K150 VanDerWaalsContact O-N 3.12Å; Q147-K150 WeakPolarHBondContact O-CB 3.26Å; Q147-K150 PolarHBondContact O-N 3.5Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.92Å; K150-K153 PolarHBondContact O-N 3.01Å; K150-L154 PolarHBondContact O-N 3.16Å; K150-L154 VanDerWaalsContact O-N 3.09Å
151L96.7Very high94.4Very high120 Ų120110.7 Ų110.763%0.62852%0.518SS*.Hα-helixtrans-64.1-46.4176.4-72.7170.9000111.4Q147 E148 K153 L154 E155Q147-L151 PolarHBondContact O-N 3.08Å; E148-L151 PolarHBondContact O-N 3.16Å; L151-K153 PolarHBondContact O-N 3.43Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.2Å
152R93.9Very high94.2Very high164 Ų164108.9 Ų108.962%0.61951%0.511SS*.Hα-helixtrans-55.3-47.6174-79.8-96.5-172.5163.2-2112.4E148 L154 E155 E156E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 WeakPolarHBondContact O-CG 3.3Å; E148-R152 PolarHBondContact O-N 3.23Å; R152-L154 VanDerWaalsContact C-N 3.28Å; R152-L154 PolarHBondContact O-N 3.29Å; R152-E155 WeakPolarHBondContact O-CB 3.48Å; R152-E155 PolarHBondContact O-N 3.09Å; R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 2.84Å
153K96Very high93.6Very high116 Ų116108.4 Ų108.450%0.50452%0.52SS..Hα-helixtrans-62.3-36.1177-78.3178.9179.9178.30112.5M149 K150 L151 R157M149-K153 HydrophobicContact CG-CD 4.41Å; M149-K153 WeakPolarHBondContact O-CB 3.43Å; M149-K153 WeakPolarHBondContact O-CG 3.41Å; M149-K153 PolarHBondContact O-N 2.98Å; K150-K153 PolarHBondContact O-N 3.01Å; L151-K153 PolarHBondContact O-N 3.43Å; K153-R157 WeakPolarHBondContact O-CG 3.41Å; K153-R157 PolarHBondContact O-N 3.48Å
154L95.5Very high93.1Very high116 Ų116107.7 Ų107.761%0.60752%0.515SS*.Hα-helixtrans-69.6-43.1177.2-17364.8000111.1K150 L151 R152 R157 F158K150-L154 PolarHBondContact O-N 3.16Å; K150-L154 VanDerWaalsContact O-N 3.09Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.11Å; R152-L154 VanDerWaalsContact C-N 3.28Å; R152-L154 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 3.49Å; L154-F158 WeakPolarHBondContact O-CB 3.4Å; L154-F158 PolarHBondContact O-N 3.38Å
155E92Very high92.3Very high93 Ų93105.7 Ų105.744%0.43552%0.515SS..Hα-helixtrans-60.7-45.5173.7-179.6178.5-155.500111.6L151 R152 R157 F158 Y159L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.2Å; R152-E155 WeakPolarHBondContact O-CB 3.48Å; R152-E155 PolarHBondContact O-N 3.09Å; E155-R157 PolarHBondContact O-N 2.89Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 3.49Å; E155-F158 VanDerWaalsContact O-N 3.16Å; E155-Y159 HydrophobicContact CG-CD2 3.71Å; E155-Y159 HydrophobicContact CG-CE2 3.38Å; E155-Y159 VanDerWaalsContact O-CD2 3.23Å; E155-Y159 WeakPolarHBondContact O-CD2 3.43Å; E155-Y159 PolarHBondContact O-N 3.33Å
156E92.4Very high91.1Very high81 Ų81111.3 Ų111.338%0.37953%0.53SS..Hα-helixtrans-57.6-46.7174-77.3170.1-166.900112R152 F158 Y159 Q160 L168R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 2.84Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.21Å; E156-Y159 PolarHBondContact O-N 3.16Å; E156-Q160 WeakPolarHBondContact O-CB 3.41Å; E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 3.35Å; E156-L168 HydrophobicContact CB-CD1 4.34Å; E156-L168 HydrophobicContact CB-CD2 4.39Å; E156-L168 HydrophobicContact CG-CD1 4.36Å; E156-L168 HydrophobicContact CG-CD2 3.93Å
157R93.3Very high90.3Very high181 Ų181110.8 Ų110.868%0.68353%0.526SS*.Hα-helixtrans-62.7-39.5175.6-76.1-177.3-173.8-166.41.9112.2K153 L154 E155 Q160 M161K153-R157 WeakPolarHBondContact O-CG 3.41Å; K153-R157 PolarHBondContact O-N 3.48Å; L154-R157 PolarHBondContact O-N 3.49Å; E155-R157 PolarHBondContact O-N 2.89Å; R157-Q160 PolarHBondContact O-N 3.04Å; R157-M161 WeakPolarHBondContact O-CB 3.39Å; R157-M161 PolarHBondContact O-N 3.41Å
158F94.6Very high89.3Confident124 Ų124108 Ų10854%0.54452%0.515SS..Hα-helixtrans-61.5-47.6177.6176-94.4000111.4L154 E155 E156 M161 T162L154-F158 WeakPolarHBondContact O-CB 3.4Å; L154-F158 PolarHBondContact O-N 3.38Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 3.49Å; E155-F158 VanDerWaalsContact O-N 3.16Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.21Å; F158-M161 PolarHBondContact O-N 2.95Å; F158-T162 WeakPolarHBondContact O-CB 3.15Å; F158-T162 PolarHBondContact O-N 2.7Å; F158-T162 PolarHBondContact O-OG1 2.86Å
159Y90.8Very high88.3Confident55 Ų55106.1 Ų106.122%0.21652%0.515CS..Hα-helixtrans-71.9-33.1179-70.6-56.8000113.2E155 E156 G163 E164 K167 L168E155-Y159 HydrophobicContact CG-CD2 3.71Å; E155-Y159 HydrophobicContact CG-CE2 3.38Å; E155-Y159 VanDerWaalsContact O-CD2 3.23Å; E155-Y159 WeakPolarHBondContact O-CD2 3.43Å; E155-Y159 PolarHBondContact O-N 3.33Å; E156-Y159 PolarHBondContact O-N 3.16Å; Y159-G163 PolarHBondContact O-N 2.84Å; Y159-E164 HydrophobicContact CD1-CB 4.13Å; Y159-E164 PolarHBondContact O-N 3.17Å; Y159-E164 VanDerWaalsContact O-N 3.09Å; Y159-K167 HydrophobicContact CD1-CD 4.2Å; Y159-K167 HydrophobicContact CE1-CD 3.9Å; Y159-L168 HydrophobicContact CD2-CD2 3.65Å; Y159-L168 HydrophobicContact CG-CD2 4.18Å
160Q89.9Confident87Confident122 Ų122106.9 Ų106.957%0.5753%0.53SS*.Hα-helixtrans-62.1-44.3170.6-76.2172.420.700111.6E156 R157 G163 L168E156-Q160 WeakPolarHBondContact O-CB 3.41Å; E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 3.35Å; R157-Q160 PolarHBondContact O-N 3.04Å; Q160-G163 PolarHBondContact O-N 3.38Å; Q160-L168 HydrophobicContact CG-CD1 4.02Å
161M88.6Confident85.9Confident171 Ų171103.7 Ų103.784%0.84254%0.535SS*.Hα-helixtrans-68.3-37.9179.5-173.7177.7-71.300112.5R157 F158 G163R157-M161 WeakPolarHBondContact O-CB 3.39Å; R157-M161 PolarHBondContact O-N 3.41Å; F158-M161 PolarHBondContact O-N 2.95Å; M161-G163 PolarHBondContact O-N 3.47Å
162T91.2Very high84Confident74 Ų74105.4 Ų105.445%0.45454%0.539SS..Hα-helixtrans-77.1-7.1-179.8-46.50000112.7F158 E164F158-T162 WeakPolarHBondContact O-CB 3.15Å; F158-T162 PolarHBondContact O-N 2.7Å; F158-T162 PolarHBondContact O-OG1 2.86Å; T162-E164 HydrophobicContact CG2-CG 4.08Å; T162-E164 PolarHBondContact O-N 2.82Å
163G82.9Confident82.8Confident59 Ų59107.4 Ų107.461%0.60855%0.553SS**THydrogen-bonded Turntrans76.44.4-177.300000114.3Y159 Q160 M161 A165Y159-G163 PolarHBondContact O-N 2.84Å; Q160-G163 PolarHBondContact O-N 3.38Å; M161-G163 PolarHBondContact O-N 3.47Å; G163-A165 PolarHBondContact O-N 3.2Å
164E86Confident81.1Confident56 Ų56108.6 Ų108.626%0.26256%0.564SS.*  trans-8935.4177.9-58.1-173.1137.200112.1Y159 T162 W166 K167Y159-E164 HydrophobicContact CD1-CB 4.13Å; Y159-E164 PolarHBondContact O-N 3.17Å; Y159-E164 VanDerWaalsContact O-N 3.09Å; T162-E164 HydrophobicContact CG2-CG 4.08Å; T162-E164 PolarHBondContact O-N 2.82Å; E164-W166 PolarHBondContact O-N 3.23Å; E164-K167 HydrophobicContact CB-CD 4.09Å; E164-K167 HydrophobicContact CB-CG 4.35Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 3.29Å; E164-K167 IonicContact OE1-NZ 2.81Å; E164-K167 PolarHBondContact OE1-NZ 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.35Å; E164-K167 IonicContact OE2-NZ 2.69Å; E164-K167 PolarHBondContact OE2-NZ 3.37Å
165A78.3Confident78.9Confident51 Ų51107.2 Ų107.242%0.42158%0.577SS.*G310 helixtrans-59.7-20.7-175.300000113.6G163 K167 L168G163-A165 PolarHBondContact O-N 3.2Å; A165-K167 PolarHBondContact O-N 2.95Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.33Å; A165-L168 VanDerWaalsContact O-N 3.1Å
166W72.3Confident76.6Confident174 Ų174106.5 Ų106.566%0.65960%0.595SS**G310 helixtrans-62.7-25.5172.957.2-93.1000113.2E164 L168 S169E164-W166 PolarHBondContact O-N 3.23Å; W166-L168 PolarHBondContact O-N 2.94Å; W166-S169 PolarHBondContact O-N 3.02Å; W166-S169 PolarHBondContact O-OG 3.32Å
167K79.9Confident74.4Confident93 Ų93109.8 Ų109.840%0.40462%0.615SS.*G310 helixtrans-70.9-17.5173.8-65.3-176.6-176.4170.30113.5Y159 E164 A165Y159-K167 HydrophobicContact CD1-CD 4.2Å; Y159-K167 HydrophobicContact CE1-CD 3.9Å; E164-K167 HydrophobicContact CB-CD 4.09Å; E164-K167 HydrophobicContact CB-CG 4.35Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 3.29Å; E164-K167 IonicContact OE1-NZ 2.81Å; E164-K167 PolarHBondContact OE1-NZ 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.35Å; E164-K167 IonicContact OE2-NZ 2.69Å; E164-K167 PolarHBondContact OE2-NZ 3.37Å; A165-K167 PolarHBondContact O-N 2.95Å
168L74.6Confident72.2Confident64 Ų64110 Ų11034%0.33562%0.623SS.*G310 helixtrans-81.4-21175.1-59178.5000112.6E156 Y159 Q160 A165 W166 S170E156-L168 HydrophobicContact CB-CD1 4.34Å; E156-L168 HydrophobicContact CB-CD2 4.39Å; E156-L168 HydrophobicContact CG-CD1 4.36Å; E156-L168 HydrophobicContact CG-CD2 3.93Å; Y159-L168 HydrophobicContact CD2-CD2 3.65Å; Y159-L168 HydrophobicContact CG-CD2 4.18Å; Q160-L168 HydrophobicContact CG-CD1 4.02Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.33Å; A165-L168 VanDerWaalsContact O-N 3.1Å; W166-L168 PolarHBondContact O-N 2.94Å; L168-S170 PolarHBondContact O-N 3.46Å
169S74.6Confident69.5Low79 Ų79107.5 Ų107.555%0.55263%0.633SS**SBendtrans-72.5124.8176.373.10000109.2W166 G171W166-S169 PolarHBondContact O-N 3.02Å; W166-S169 PolarHBondContact O-OG 3.32Å; S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.33Å
170S68.1Low67.2Low120 Ų120111.7 Ų111.784%0.83967%0.665SS**  trans-64.899.4168.760.10000107.4L168 H172L168-S170 PolarHBondContact O-N 3.46Å; S170-H172 PolarHBondContact O-N 2.98Å
171G72.8Confident64.8Low65 Ų65110.8 Ų110.867%0.6767%0.672SS**  trans-54.6129.1-177.100000111.3S169 K173S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.33Å; G171-K173 PolarHBondContact O-N 3.01Å
172H56.3Low62.8Low155 Ų155111.9 Ų111.972%0.71868%0.675SS**  trans-75.8113.6171.4-169.761.6000108.1S170 L174S170-H172 PolarHBondContact O-N 2.98Å; H172-L174 WeakPolarHBondContact CD2-CD2 3.45Å; H172-L174 PolarHBondContact O-N 2.95Å
173K68.3Low60Low207 Ų207113 Ų11390%0.968%0.682SS**  trans-67.4104.6175.1-80.6-139.1177-153.60109.2G171G171-K173 PolarHBondContact O-N 3.01Å
174L60.7Low58.1Low141 Ų141115.4 Ų115.474%0.73869%0.689SS**  trans-104.9118.9172.4-71.4174.1000110H172H172-L174 WeakPolarHBondContact CD2-CD2 3.45Å; H172-L174 PolarHBondContact O-N 2.95Å
175G48.7Very low55.8Low86 Ų86122 Ų12289%0.88772%0.717SS**  trans74147.8171.700000113.8
176G44.8Very low54.1Low78 Ų78128.1 Ų128.180%0.80474%0.737SS**  cis146.5143.622.300000105.8
177D45.2Very low52.5Low151 Ų151125.8 Ų125.881%0.80774%0.742SS**  trans-58.4155.8-167.3-159.512.8000116.6
178E46.8Very low50.6Low184 Ų184126.1 Ų126.186%0.8676%0.756SS**  trans49.2133.1167.2-74.6-171165.700122.5
179G38.7Very low49.3Very low73 Ų73130.6 Ų130.675%0.75378%0.781SS**  trans152.290.9158.200000114.7S181G179-S181 PolarHBondContact O-N 3.37Å
180T43.3Very low48Very low143 Ų143138 Ų13888%0.87780%0.797SS**  trans-45120.2163.1-640000111.2
181S40Very low46.9Very low102 Ų102140.4 Ų140.471%0.71379%0.794SS**  trans-158.8102.4152.2-790000109.4G179 T183G179-S181 PolarHBondContact O-N 3.37Å; S181-T183 PolarHBondContact O-N 3.49Å; S181-T183 VanDerWaalsContact O-N 3.16Å
182Q44.9Very low45.4Very low194 Ų194141.4 Ų141.491%0.90780%0.796SS**  trans-50.3116.3155.3-79.1170.4-43.200108.2
183T32.6Very low45Very low99 Ų99138.8 Ų138.861%0.60780%0.801SS**  trans-126.6107.5156.946.30000107.6S181 F185S181-T183 PolarHBondContact O-N 3.49Å; S181-T183 VanDerWaalsContact O-N 3.16Å; T183-F185 PolarHBondContact O-N 3.21Å
184S42.9Very low44.3Very low108 Ų108138.2 Ų138.276%0.75580%0.799SS**  trans-49.1114.8164.746.80000110.9E186S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 3.28Å
185F37.4Very low43.7Very low195 Ų195135.8 Ų135.886%0.85579%0.794SS**  trans-9575156.9-69.3-77.3000108.3T183T183-F185 PolarHBondContact O-N 3.21Å
186E42.9Very low43.8Very low180 Ų180139.9 Ų139.984%0.84179%0.79SS**  trans-92.795.4159.7-177.2162.1-172.400106.9S184S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 3.28Å
187T39.1Very low43.9Very low125 Ų125143.8 Ų143.877%0.76779%0.792SS**  trans-156.9131.4161.1-21.80000112.5
188S40.6Very low43.9Very low100 Ų100143.3 Ų143.370%0.69979%0.789SS**SBendtrans75.555.7142.3-147.10000119.8
189N45.9Very low43.9Very low158 Ų158139.8 Ų139.885%0.84578%0.782SS**SBendtrans-132.511.7159.8-91.6-47.7000114.1
190R48.7Very low44.2Very low235 Ų235146 Ų14689%0.88779%0.788SS**SBendtrans-101.5-6.6-174.7-169.3166.7157.2-164.5-7.4114.7
191E43.6Very low44Very low169 Ų169144.6 Ų144.679%0.7978%0.781SS**SBendtrans-109.2-3.7-177.9-84.7168.7141.400115.3A193E191-A193 VanDerWaalsContact C-N 3.32Å
192A42.6Very low43.7Very low86 Ų86147.6 Ų147.671%0.71179%0.789SS**THydrogen-bonded Turntrans-81.8-6.9172.800000114.1
193A48.5Very low43.7Very low100 Ų100144.6 Ų144.683%0.82678%0.784SS**THydrogen-bonded Turntrans-94.65179.900000114.2E191E191-A193 VanDerWaalsContact C-N 3.32Å
194K52Low44.1Very low196 Ų196148.1 Ų148.185%0.85279%0.793SS**SBendtrans-116.54.8-173.3-152.5177.1177.4-175.80115.3
195S49Very low43.6Very low89 Ų89152 Ų15262%0.62280%0.797SS**  trans-135.260.4-178.350.70000112.7
196Q50.6Low43.8Very low172 Ų172148.5 Ų148.580%0.80479%0.794SS**  trans-130.490.1151.3-68.1-169.216.400108.4L198Q196-L198 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact O-N 3.15Å
197N45.8Very low44.1Very low161 Ų161144.9 Ų144.986%0.86179%0.788SS**  trans-64.8106.7158.8-73.9-66.9000106.7P199N197-P199 VanDerWaalsContact O-CD 3.25Å; N197-P199 WeakPolarHBondContact O-CD 2.9Å
198L46.5Very low44.2Very low141 Ų141144.6 Ų144.674%0.73879%0.789SS**PPolyproline II helixtrans-69118.2173.8-12993.4000109.3Q196Q196-L198 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact O-N 3.15Å
199P45.5Very low44.4Very low109 Ų109144.2 Ų144.271%0.70879%0.791SS**PPolyproline II helixtrans-74.7128.1153.3-3.523000107.1N197 P201N197-P199 VanDerWaalsContact O-CD 3.25Å; N197-P199 WeakPolarHBondContact O-CD 2.9Å; P199-P201 WeakPolarHBondContact O-CD 3.37Å
200K45.9Very low44.2Very low205 Ų205145.6 Ų145.689%0.89179%0.793SS**PPolyproline II helixtrans-57.5121.8173.3-69.9167.6178.3172.60110.2
201P38.1Very low43.6Very low112 Ų112143 Ų14373%0.72779%0.791SS**PPolyproline II helixtrans-93.7132.9158.5-0.623.4000108.6P199P199-P201 WeakPolarHBondContact O-CD 3.37Å
202L34.4Very low43.4Very low166 Ų166140.9 Ų140.987%0.86979%0.792SS**PPolyproline II helixtrans-48.5139.1-179.2-76.4132.4000113.1E204L202-E204 PolarHBondContact O-N 3.38Å
203T45.8Very low43Very low130 Ų130143.1 Ų143.180%0.79880%0.796SS**  trans-55.696.9158.2-55.30000109.5
204E40.3Very low42.1Very low174 Ų174144 Ų14481%0.81380%0.795SS**  trans-152.392.6156.9-142.4168-161.100108.1L202 P206L202-E204 PolarHBondContact O-N 3.38Å; E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å
205F32.8Very low41.8Very low189 Ų189143.6 Ų143.683%0.82979%0.793SS**  trans-73.6119.6168.4-69.4-90.2000107.4S207F205-S207 PolarHBondContact O-N 3.14Å; F205-S207 VanDerWaalsContact O-N 3.14Å
206P40.4Very low41.6Very low122 Ų122148.1 Ų148.179%0.79281%0.805SS**  trans-64.3117.4158.624.8-27.6000107.4E204E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å
207S50.5Low41.2Very low103 Ų103145.5 Ų145.572%0.7280%0.795SS**  trans-30.5124.8167.7174.50000111.9F205 A209F205-S207 PolarHBondContact O-N 3.14Å; F205-S207 VanDerWaalsContact O-N 3.14Å; S207-A209 PolarHBondContact O-N 3.39Å
208P40.9Very low41.5Very low120 Ų120139.4 Ų139.478%0.77976%0.764SS**  trans-64.1111.9167.524.5-28.3000108.3E210P208-E210 PolarHBondContact O-N 3.43Å
209A44.8Very low41.9Very low91 Ų91139.8 Ų139.875%0.75277%0.767SS**  trans-45.3128166.700000110.4S207 Q211S207-A209 PolarHBondContact O-N 3.39Å; A209-Q211 PolarHBondContact O-N 3.46Å
210E41.6Very low43Very low188 Ų188135.4 Ų135.488%0.87974%0.737SS**  trans18.796.2159.6-66.1177.616400115.7P208P208-E210 PolarHBondContact O-N 3.43Å
211Q35.2Very low44.1Very low181 Ų181127.8 Ų127.885%0.84671%0.709SS**  trans-51.2132.9154.2-69.1178.1-15.100108.2A209 T213A209-Q211 PolarHBondContact O-N 3.46Å; Q211-T213 PolarHBondContact O-N 3.47Å
212P40.2Very low45.1Very low124 Ų124130.4 Ų130.481%0.80571%0.712SS**  trans-53.1119.4173.121.1-30.7000107.3C214P212-C214 PolarHBondContact O-N 2.62Å
213T34.7Very low46.8Very low132 Ų132126.1 Ų126.181%0.8169%0.687SS**  trans-34.9121.9-176.940.90000110.4Q211 K215Q211-T213 PolarHBondContact O-N 3.47Å; T213-K215 PolarHBondContact O-N 3.14Å
214C29.8Very low47.9Very low118 Ų118120.9 Ų120.980%0.79766%0.655SS**  trans-26123.8162.2-159.40000109.6P212 E216P212-C214 PolarHBondContact O-N 2.62Å; C214-E216 VanDerWaalsContact C-N 3.29Å; C214-E216 PolarHBondContact O-N 3.31Å
215K44.8Very low48.8Very low189 Ų189116.5 Ų116.582%0.82264%0.644SS**  trans-54.699.8173.2-63.2175.6-178.2178.70106.5T213 I217T213-K215 PolarHBondContact O-N 3.14Å; K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.46Å
216E44.2Very low49.9Very low184 Ų184115.6 Ų115.686%0.8664%0.642SS**  trans-59102.8170.5-120179.5172.300104.8C214 P218C214-E216 VanDerWaalsContact C-N 3.29Å; C214-E216 PolarHBondContact O-N 3.31Å; E216-P218 WeakPolarHBondContact O-CD 3.46Å
217I42.4Very low50.6Low117 Ų117116.1 Ų116.160%0.664%0.643SS**  trans-76.7112.6168.1-62.4169.7000102.9K215 D219K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.46Å; I217-D219 PolarHBondContact O-N 2.87Å
218P52.8Low51Low33 Ų33113.5 Ų113.521%0.21463%0.628CS.*  trans-59.7119.3176.2-21.434.7000108E216 L220 D259E216-P218 WeakPolarHBondContact O-CD 3.46Å; P218-L220 PolarHBondContact O-N 3.48Å; P218-D259 HydrophobicContact CB-CB 3.75Å; P218-D259 HydrophobicContact CG-CB 4.25Å
219D55.4Low51.9Low148 Ų148116.9 Ų116.979%0.79163%0.633SS**  trans-70.4103.1174.2-89.7-29.8000108.1I217I217-D219 PolarHBondContact O-N 2.87Å
220L68.3Low53.6Low17 Ų17118 Ų1189%0.08962%0.623CS.*PPolyproline II helixtrans-73.9131.2-175.1-151.368.1000109.3P218 E222 V256 D259 W260P218-L220 PolarHBondContact O-N 3.48Å; L220-E222 PolarHBondContact O-N 2.9Å; L220-V256 HydrophobicContact CD1-CG1 4.13Å; L220-D259 HydrophobicContact CD1-CB 3.7Å; L220-W260 HydrophobicContact CD1-CB 3.84Å; L220-W260 VanDerWaalsContact CD1-N 3.32Å; L220-W260 HydrophobicContact CD2-CB 3.54Å; L220-W260 HydrophobicContact CD2-CG 3.65Å; L220-W260 HydrophobicContact CG-CB 4.31Å
221P69.1Low55.6Low45 Ų45110.4 Ų110.429%0.29259%0.589SS.*PPolyproline II helixtrans-58.2139.2-176.622.4-33.4000111.3R246 Y252 V256P221-R246 PolarHBondContact O-NH2 3.33Å; P221-Y252 HydrophobicContact CB-CE2 4.09Å; P221-Y252 HydrophobicContact CG-CD2 4.3Å; P221-Y252 HydrophobicContact CG-CE2 3.74Å; P221-V256 HydrophobicContact CG-CG1 3.82Å; P221-V256 HydrophobicContact CG-CG2 4.45Å
222E58.2Low58.1Low168 Ų168101.9 Ų101.979%0.78555%0.549SS*.PPolyproline II helixtrans-49.6139.8179.6-173.957.4-137.800111.5L220L220-E222 PolarHBondContact O-N 2.9Å
223E71.6Confident60.6Low76 Ų7697.9 Ų97.936%0.35552%0.523SS..PPolyproline II helixtrans-68.6124.5-171.4-66.5-173.9179.300110.9R246E223-R246 HydrophobicContact CG-CG 4.01Å; E223-R246 WeakPolarHBondContact OE1-CD 3.33Å; E223-R246 WeakPolarHBondContact OE1-CG 3.38Å; E223-R246 IonicContact OE1-CZ 3.46Å; E223-R246 IonicContact OE1-NE 3.59Å; E223-R246 IonicContact OE1-NH1 2.92Å; E223-R246 PolarHBondContact OE1-NH1 2.97Å
224P68.6Low63.3Low19 Ų1991.6 Ų91.612%0.12349%0.485CS..PPolyproline II helixtrans-63.8145.5-178.325.7-33.4000111.7V231 R247 L249P224-V231 HydrophobicContact CB-CG2 4Å; P224-V231 HydrophobicContact CG-CG1 4.14Å; P224-V231 HydrophobicContact CG-CG2 4.22Å; P224-R247 VanDerWaalsContact CD-O 3.32Å; P224-R247 WeakPolarHBondContact CD-O 3.44Å; P224-R247 HydrophobicContact CG-CB 4.06Å; P224-R247 PolarHBondContact O-NE 3.02Å; P224-R247 PolarHBondContact O-NH2 3.17Å; P224-L249 HydrophobicContact CB-CD2 4.21Å; P224-L249 HydrophobicContact CB-CG 4.22Å; P224-L249 HydrophobicContact CG-CG 4.29Å
225S57.6Low66.3Low83 Ų8386.5 Ų86.558%0.5845%0.451SS*.PPolyproline II helixtrans-72.4154.5178.165.30000111.5T227S225-T227 PolarHBondContact O-N 3.43Å
226Q56.6Low68.6Low169 Ų16977.6 Ų77.679%0.7941%0.412SS*.THydrogen-bonded Turntrans-65-9.8-168.9-169.3170.820.800115.1
227T54.8Low70.9Confident133 Ų13375.5 Ų75.582%0.81640%0.396SS*.THydrogen-bonded Turntrans-95.8-2.9-165.9-43.30000114.4S225S225-T227 PolarHBondContact O-N 3.43Å
228A58.8Low73.2Confident48 Ų4870.4 Ų70.440%0.39737%0.371SS..  trans-91.9129.2179.100000111.7E230 V231A228-E230 PolarHBondContact O-N 3.28Å; A228-V231 HydrophobicContact CB-CG2 3.81Å; A228-V231 WeakPolarHBondContact O-CG2 3.49Å; A228-V231 PolarHBondContact O-N 3.45Å
229E61.6Low74.9Confident192 Ų19272.8 Ų72.890%0.89739%0.386SS*.THydrogen-bonded Turntrans-61.9-11.9-176.7-71.1-178.8161.600114.4
230E79.4Confident76.3Confident114 Ų11469 Ų6953%0.53337%0.372SS..THydrogen-bonded Turntrans-107.916.9-176.3-65.2177-172.900113.7A228 K250A228-E230 PolarHBondContact O-N 3.28Å; E230-K250 HydrophobicContact CB-CD 4.35Å; E230-K250 WeakPolarHBondContact O-CG 3.37Å; E230-K250 PolarHBondContact O-N 3.5Å
231V84.6Confident77Confident28 Ų2871.4 Ų71.417%0.1740%0.401CS..EExtended strand (participates in β ladder)trans-90.4131.3178.6-179.60000110.8P224 A228 R247 F248 L249P224-V231 HydrophobicContact CB-CG2 4Å; P224-V231 HydrophobicContact CG-CG1 4.14Å; P224-V231 HydrophobicContact CG-CG2 4.22Å; A228-V231 HydrophobicContact CB-CG2 3.81Å; A228-V231 WeakPolarHBondContact O-CG2 3.49Å; A228-V231 PolarHBondContact O-N 3.45Å; V231-R247 HydrophobicContact CG1-CB 3.71Å; V231-R247 HydrophobicContact CG1-CG 4.05Å; V231-F248 CarbonylContact C-O 3.57Å; V231-F248 WeakPolarHBondContact CA-O 3.28Å; V231-L249 HydrophobicContact CG2-CD2 3.74Å
232V87.6Confident78Confident2 Ų274 Ų741%0.01241%0.412CS..EExtended strand (participates in β ladder)trans-114.7138.1172.1-690000110.3R247 F248 K250 L290 I295V232-R247 CarbonylContact O-C 3.55Å; V232-R247 WeakPolarHBondContact O-CA 3.28Å; V232-F248 HydrophobicContact CG2-CB 4.35Å; V232-F248 WeakPolarHBondContact CG2-O 3.1Å; V232-F248 PolarHBondContact N-O 3.09Å; V232-F248 PolarHBondContact O-N 3.36Å; V232-K250 HydrophobicContact CG1-CD 4.38Å; V232-K250 HydrophobicContact CG1-CG 3.73Å; V232-L290 HydrophobicContact CG2-CD1 4.17Å; V232-I295 HydrophobicContact CG2-CG2 4.24Å
233T91.1Very high79.6Confident41 Ų4169 Ų6925%0.25239%0.393SS..EExtended strand (participates in β ladder)trans-94.1114.9173.6-51.20000109.5D298 T299T233-D298 WeakPolarHBondContact CA-OD1 3.34Å; T233-D298 VanDerWaalsContact CB-OD1 3.25Å; T233-D298 WeakPolarHBondContact CB-OD1 3.32Å; T233-D298 PolarHBondContact N-OD1 2.8Å; T233-D298 VanDerWaalsContact O-CA 3.3Å; T233-D298 WeakPolarHBondContact O-CA 3.15Å; T233-D298 PolarHBondContact OG1-OD1 3.39Å; T233-T299 PolarHBondContact O-N 3.37Å; T233-T299 VanDerWaalsContact O-N 3.11Å
234V91.9Very high80.5Confident0 Ų068.3 Ų68.30%039%0.391CS..EExtended strand (participates in β ladder)trans-98.2124.4175.9179.60000109.2R245 R246 F248 L257 W260 I295 T299 L301V234-R245 WeakPolarHBondContact O-CA 3.46Å; V234-R246 PolarHBondContact N-O 2.93Å; V234-R246 PolarHBondContact O-N 3.41Å; V234-F248 HydrophobicContact CB-CD2 3.82Å; V234-F248 HydrophobicContact CB-CE2 3.86Å; V234-F248 HydrophobicContact CG2-CD2 3.7Å; V234-F248 HydrophobicContact CG2-CE2 4.21Å; V234-L257 HydrophobicContact CB-CD2 4.48Å; V234-L257 HydrophobicContact CG1-CD2 4.15Å; V234-L257 HydrophobicContact CG2-CD2 4.27Å; V234-W260 HydrophobicContact CG1-CZ3 4.11Å; V234-I295 HydrophobicContact CG2-CG2 4.06Å; V234-T299 WeakPolarHBondContact CA-O 3.34Å; V234-L301 HydrophobicContact CG1-CB 4.5Å; V234-L301 HydrophobicContact CG1-CD1 3.55Å; V234-L301 HydrophobicContact CG1-CG 3.84Å
235A93.4Very high81.6Confident11 Ų1176.6 Ų76.69%0.09142%0.42CS..EExtended strand (participates in β ladder)trans-106.9108.8176.100000110.2V243 L244 R245 T299 V300 L301A235-V243 HydrophobicContact CB-CG1 4.18Å; A235-L244 CarbonylContact C-O 3.17Å; A235-L244 WeakPolarHBondContact CA-O 3.3Å; A235-R245 HydrophobicContact CB-CG 4.02Å; A235-T299 PolarHBondContact N-O 2.99Å; A235-V300 HydrophobicContact CB-CG2 4.26Å; A235-V300 CarbonylContact O-C 3.51Å; A235-V300 WeakPolarHBondContact O-CA 3.45Å; A235-L301 PolarHBondContact O-N 2.89Å
236L93Very high83.2Confident1 Ų173.9 Ų73.91%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-89.3119.1178.1-17367.8000110.8V243 L244 W260 I264 L273 L301 L303L236-V243 CarbonylContact O-C 3.51Å; L236-V243 VanDerWaalsContact O-CA 3.26Å; L236-V243 WeakPolarHBondContact O-CA 3.28Å; L236-L244 HydrophobicContact CB-CB 4.46Å; L236-L244 PolarHBondContact N-O 3.34Å; L236-L244 PolarHBondContact O-N 2.87Å; L236-W260 HydrophobicContact CB-CH2 3.62Å; L236-W260 HydrophobicContact CB-CZ3 3.69Å; L236-W260 HydrophobicContact CD2-CE3 4.45Å; L236-W260 HydrophobicContact CD2-CH2 4.48Å; L236-W260 HydrophobicContact CD2-CZ3 4.26Å; L236-I264 HydrophobicContact CD2-CD1 3.82Å; L236-L273 HydrophobicContact CD1-CD2 3.26Å; L236-L301 CarbonylContact C-O 3.5Å; L236-L301 WeakPolarHBondContact CA-O 3.27Å; L236-L301 HydrophobicContact CD1-CB 4.11Å; L236-L303 HydrophobicContact CD1-CB 4.12Å; L236-L303 HydrophobicContact CD1-CD1 4.27Å; L236-L303 HydrophobicContact CD2-CD1 3.95Å; L236-L303 HydrophobicContact CG-CD1 4.35Å
237R92.8Very high84.8Confident140 Ų14069.8 Ų69.853%0.52837%0.374SS..EExtended strand (participates in β ladder)trans-91.3112.5172.3-66-174.7172-107.72.9109.6V243 V300 L301 L303R237-V243 HydrophobicContact CG-CG1 4.33Å; R237-V243 HydrophobicContact CG-CG2 4.04Å; R237-V300 HydrophobicContact CG-CG1 3.9Å; R237-L301 PolarHBondContact N-O 3.43Å; R237-L303 WeakPolarHBondContact O-CB 3.35Å; R237-L303 PolarHBondContact O-N 2.83Å
238C90.9Very high86.4Confident11 Ų1163.6 Ų63.67%0.07434%0.336CS..  trans-85.5150.2179.2-570000111.2S240 G241 N242 Y266C238-S240 WeakPolarHBondContact CB-OG 3.23Å; C238-S240 PolarHBondContact O-N 3.06Å; C238-S240 VanDerWaalsContact O-N 3.08Å; C238-G241 PolarHBondContact O-N 2.91Å; C238-N242 WeakPolarHBondContact CB-O 3.46Å; C238-N242 PolarHBondContact N-O 3.5Å; C238-Y266 HydrophobicContact CB-CE2 4.11Å
239P88.7Confident87.9Confident82 Ų8263.1 Ų63.153%0.53233%0.327SS..THydrogen-bonded Turntrans-57.4-24.2172-24.232.5000113G241 Y271 L303P239-G241 PolarHBondContact O-N 3.19Å; P239-G241 VanDerWaalsContact O-N 3.16Å; P239-Y271 HydrophobicContact CG-CE1 4.27Å; P239-L303 HydrophobicContact CG-CD2 3.65Å; P239-L303 WeakPolarHBondContact CG-O 3.38Å
240S83.3Confident89.2Confident70 Ų7056.5 Ų56.549%0.4930%0.295SS..THydrogen-bonded Turntrans-67.8-4.8174.258.60000114.1C238 N242 Y266C238-S240 WeakPolarHBondContact CB-OG 3.23Å; C238-S240 PolarHBondContact O-N 3.06Å; C238-S240 VanDerWaalsContact O-N 3.08Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.37Å; S240-N242 PolarHBondContact OG-ND2 2.88Å; S240-N242 VanDerWaalsContact OG-ND2 3.16Å; S240-Y266 PolarHBondContact OG-OH 2.87Å
241G84.6Confident89.5Confident67 Ų6754.5 Ų54.569%0.69129%0.293SS*.SBendtrans85.2-4.1-177.800000114.2C238 P239C238-G241 PolarHBondContact O-N 2.91Å; P239-G241 PolarHBondContact O-N 3.19Å; P239-G241 VanDerWaalsContact O-N 3.16Å
242N88.4Confident89.7Confident98 Ų9855.9 Ų55.952%0.52430%0.296SS..  trans-81.7148.4175.5-60.9-61.4000111C238 S240C238-N242 WeakPolarHBondContact CB-O 3.46Å; C238-N242 PolarHBondContact N-O 3.5Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.37Å; S240-N242 PolarHBondContact OG-ND2 2.88Å; S240-N242 VanDerWaalsContact OG-ND2 3.16Å
243V92Very high89.8Confident65 Ų6557.4 Ų57.439%0.39431%0.307SS..EExtended strand (participates in β ladder)trans-117.1116.8172.8-172.90000108.9A235 L236 R237A235-V243 HydrophobicContact CB-CG1 4.18Å; L236-V243 CarbonylContact O-C 3.51Å; L236-V243 VanDerWaalsContact O-CA 3.26Å; L236-V243 WeakPolarHBondContact O-CA 3.28Å; R237-V243 HydrophobicContact CG-CG1 4.33Å; R237-V243 HydrophobicContact CG-CG2 4.04Å
244L91Very high89.7Confident61 Ų6155.6 Ų55.632%0.31930%0.296SS..EExtended strand (participates in β ladder)trans-99.1131.5177.8-59.9174.4000108.6A235 L236 W260 I264A235-L244 CarbonylContact C-O 3.17Å; A235-L244 WeakPolarHBondContact CA-O 3.3Å; L236-L244 HydrophobicContact CB-CB 4.46Å; L236-L244 PolarHBondContact N-O 3.34Å; L236-L244 PolarHBondContact O-N 2.87Å; L244-W260 HydrophobicContact CB-CH2 4.26Å; L244-W260 HydrophobicContact CB-CZ2 3.85Å; L244-W260 WeakPolarHBondContact O-CH2 3.1Å; L244-I264 HydrophobicContact CD1-CB 4.23Å; L244-I264 HydrophobicContact CD1-CD1 3.38Å; L244-I264 HydrophobicContact CD1-CG1 3.7Å; L244-I264 HydrophobicContact CD1-CG2 3.43Å; L244-I264 VanDerWaalsContact CD1-CG2 3.43Å
245R92.1Very high89.5Confident192 Ų19260 Ų6073%0.72532%0.317SS*.EExtended strand (participates in β ladder)trans-117.4132.6180-62.9-176179.9-162.7-0.9108.8V234 A235V234-R245 WeakPolarHBondContact O-CA 3.46Å; A235-R245 HydrophobicContact CB-CG 4.02Å
246R90.4Very high89.3Confident27 Ų2760.5 Ų60.510%0.10232%0.318CS..EExtended strand (participates in β ladder)trans-144.1145.6175.4-178.5166.1-179.7126.3-11.3109.6P221 E223 V234 F248 W260P221-R246 PolarHBondContact O-NH2 3.33Å; E223-R246 HydrophobicContact CG-CG 4.01Å; E223-R246 WeakPolarHBondContact OE1-CD 3.33Å; E223-R246 WeakPolarHBondContact OE1-CG 3.38Å; E223-R246 IonicContact OE1-CZ 3.46Å; E223-R246 IonicContact OE1-NE 3.59Å; E223-R246 IonicContact OE1-NH1 2.92Å; E223-R246 PolarHBondContact OE1-NH1 2.97Å; V234-R246 PolarHBondContact N-O 2.93Å; V234-R246 PolarHBondContact O-N 3.41Å; R246-F248 HydrophobicContact CB-CE2 3.67Å; R246-F248 HydrophobicContact CB-CZ 3.87Å; R246-F248 VanDerWaalsContact CD-CZ 3.47Å; R246-F248 HydrophobicContact CG-CD2 4.38Å; R246-F248 HydrophobicContact CG-CE1 4.07Å; R246-F248 HydrophobicContact CG-CE2 3.72Å; R246-F248 HydrophobicContact CG-CZ 3.56Å; R246-W260 HydrophobicContact CB-CD2 4.41Å; R246-W260 HydrophobicContact CB-CH2 3.82Å; R246-W260 HydrophobicContact CB-CZ2 3.47Å; R246-W260 VanDerWaalsContact CB-CZ2 3.47Å; R246-W260 HydrophobicContact CB-CZ3 4.42Å
247R90.6Very high89.2Confident83 Ų8360.5 Ų60.531%0.31332%0.318SS..EExtended strand (participates in β ladder)trans-90.3142175.7-68.1-174-61.2-96.5-8109.9P224 V231 V232P224-R247 VanDerWaalsContact CD-O 3.32Å; P224-R247 WeakPolarHBondContact CD-O 3.44Å; P224-R247 HydrophobicContact CG-CB 4.06Å; P224-R247 PolarHBondContact O-NE 3.02Å; P224-R247 PolarHBondContact O-NH2 3.17Å; V231-R247 HydrophobicContact CG1-CB 3.71Å; V231-R247 HydrophobicContact CG1-CG 4.05Å; V232-R247 CarbonylContact O-C 3.55Å; V232-R247 WeakPolarHBondContact O-CA 3.28Å
248F89.3Confident89Confident2 Ų254.3 Ų54.31%0.00930%0.295CS..EExtended strand (participates in β ladder)trans-137.4156.2177.1-60.8-83.1000109.5V231 V232 V234 R246 Y252 V256 L257 W260 L290V231-F248 CarbonylContact C-O 3.57Å; V231-F248 WeakPolarHBondContact CA-O 3.28Å; V232-F248 HydrophobicContact CG2-CB 4.35Å; V232-F248 WeakPolarHBondContact CG2-O 3.1Å; V232-F248 PolarHBondContact N-O 3.09Å; V232-F248 PolarHBondContact O-N 3.36Å; V234-F248 HydrophobicContact CB-CD2 3.82Å; V234-F248 HydrophobicContact CB-CE2 3.86Å; V234-F248 HydrophobicContact CG2-CD2 3.7Å; V234-F248 HydrophobicContact CG2-CE2 4.21Å; R246-F248 HydrophobicContact CB-CE2 3.67Å; R246-F248 HydrophobicContact CB-CZ 3.87Å; R246-F248 VanDerWaalsContact CD-CZ 3.47Å; R246-F248 HydrophobicContact CG-CD2 4.38Å; R246-F248 HydrophobicContact CG-CE1 4.07Å; R246-F248 HydrophobicContact CG-CE2 3.72Å; R246-F248 HydrophobicContact CG-CZ 3.56Å; F248-Y252 HydrophobicContact CB-CD2 4.32Å; F248-Y252 HydrophobicContact CD1-CD2 4.19Å; F248-V256 HydrophobicContact CD1-CG1 3.85Å; F248-V256 HydrophobicContact CE1-CG1 3.66Å; F248-L257 HydrophobicContact CD2-CD2 4.06Å; F248-L257 HydrophobicContact CE1-CD2 4.47Å; F248-L257 HydrophobicContact CE2-CD2 3.76Å; F248-L257 HydrophobicContact CZ-CD2 3.97Å; F248-W260 HydrophobicContact CE2-CD2 4.39Å; F248-W260 AromaticContact CE2-CE3 3.88Å; F248-W260 HydrophobicContact CE2-CE3 3.88Å; F248-W260 AromaticContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CZ-CB 4.32Å; F248-W260 AromaticContact CZ-CD2 3.81Å; F248-W260 HydrophobicContact CZ-CD2 3.81Å; F248-W260 AromaticContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CG 4.13Å; F248-W260 HydrophobicContact CZ-CZ3 4.2Å; F248-L290 HydrophobicContact CB-CD1 3.53Å; F248-L290 HydrophobicContact CG-CD1 4.26Å
249L88.6Confident89Confident39 Ų3956.6 Ų56.620%0.20431%0.306CS..EExtended strand (participates in β ladder)trans-83.6143.6170.9-68.5171.8000109.6P224 V231 S251 Y252 L290P224-L249 HydrophobicContact CB-CD2 4.21Å; P224-L249 HydrophobicContact CB-CG 4.22Å; P224-L249 HydrophobicContact CG-CG 4.29Å; V231-L249 HydrophobicContact CG2-CD2 3.74Å; L249-S251 PolarHBondContact O-N 3.38Å; L249-Y252 HydrophobicContact CB-CD1 3.82Å; L249-Y252 HydrophobicContact CB-CD2 4.41Å; L249-Y252 HydrophobicContact CB-CE1 3.94Å; L249-Y252 HydrophobicContact CB-CE2 4.49Å; L249-Y252 HydrophobicContact CB-CG 4.08Å; L249-Y252 HydrophobicContact CD1-CD1 4.31Å; L249-Y252 HydrophobicContact CD1-CE1 3.62Å; L249-Y252 HydrophobicContact CG-CE1 4.16Å; L249-Y252 WeakPolarHBondContact O-CB 3.41Å; L249-Y252 PolarHBondContact O-N 3.19Å; L249-L290 WeakPolarHBondContact O-CD1 3.4Å
250K89.4Confident89Confident53 Ų5353.5 Ų53.523%0.2328%0.284CS..THydrogen-bonded Turntrans-56.2-33.8177.3-71.9169.6-174.9172.60112.9E230 V232 Y252 L290 E291 T296E230-K250 HydrophobicContact CB-CD 4.35Å; E230-K250 WeakPolarHBondContact O-CG 3.37Å; E230-K250 PolarHBondContact O-N 3.5Å; V232-K250 HydrophobicContact CG1-CD 4.38Å; V232-K250 HydrophobicContact CG1-CG 3.73Å; K250-Y252 VanDerWaalsContact C-N 3.27Å; K250-Y252 PolarHBondContact O-N 3.47Å; K250-L290 PolarHBondContact O-N 3.28Å; K250-E291 HydrophobicContact CB-CB 4.43Å; K250-E291 PolarHBondContact O-N 3.07Å; K250-T296 VanDerWaalsContact CE-O 3.28Å; K250-T296 WeakPolarHBondContact CE-O 3.26Å
251S86.9Confident89.3Confident71 Ų7150.1 Ų50.150%0.49726%0.261SS..THydrogen-bonded Turntrans-75.4-6.9178.156.10000114.8L249L249-S251 PolarHBondContact O-N 3.38Å
252Y88.1Confident89.6Confident58 Ų5849 Ų4923%0.22724%0.24CC..SBendtrans-69.3146.9177.3-77.40.8000111.7P221 F248 L249 K250 V256 S289 L290P221-Y252 HydrophobicContact CB-CE2 4.09Å; P221-Y252 HydrophobicContact CG-CD2 4.3Å; P221-Y252 HydrophobicContact CG-CE2 3.74Å; F248-Y252 HydrophobicContact CB-CD2 4.32Å; F248-Y252 HydrophobicContact CD1-CD2 4.19Å; L249-Y252 HydrophobicContact CB-CD1 3.82Å; L249-Y252 HydrophobicContact CB-CD2 4.41Å; L249-Y252 HydrophobicContact CB-CE1 3.94Å; L249-Y252 HydrophobicContact CB-CE2 4.49Å; L249-Y252 HydrophobicContact CB-CG 4.08Å; L249-Y252 HydrophobicContact CD1-CD1 4.31Å; L249-Y252 HydrophobicContact CD1-CE1 3.62Å; L249-Y252 HydrophobicContact CG-CE1 4.16Å; L249-Y252 WeakPolarHBondContact O-CB 3.41Å; L249-Y252 PolarHBondContact O-N 3.19Å; K250-Y252 VanDerWaalsContact C-N 3.27Å; K250-Y252 PolarHBondContact O-N 3.47Å; Y252-V256 HydrophobicContact CD2-CG1 4.36Å; Y252-S289 CarbonylContact O-C 3.57Å; Y252-S289 VanDerWaalsContact O-CA 3.3Å; Y252-S289 WeakPolarHBondContact O-CA 3.44Å; Y252-L290 PolarHBondContact O-N 2.63Å
253S89.6Confident89.6Confident34 Ų3450.4 Ų50.424%0.23824%0.238CC..BIsolated β-bridgetrans-64.4142.3171.3175.40000110.5Q255 V256S253-Q255 PolarHBondContact O-N 2.97Å; S253-Q255 VanDerWaalsContact O-N 3.17Å; S253-Q255 WeakPolarHBondContact OG-CB 3.34Å; S253-Q255 PolarHBondContact OG-N 3.48Å; S253-V256 WeakPolarHBondContact O-CB 3.16Å; S253-V256 WeakPolarHBondContact O-CG2 3.19Å; S253-V256 PolarHBondContact O-N 2.85Å
254S88.4Confident89.4Confident2 Ų250 Ų501%0.01423%0.233CC..THydrogen-bonded Turntrans-58.9-23.3173.269.10000114.2V256 L257 F258 Q288S254-V256 PolarHBondContact O-N 3.17Å; S254-L257 WeakPolarHBondContact O-CB 3.04Å; S254-L257 PolarHBondContact O-N 3.37Å; S254-F258 WeakPolarHBondContact O-CD2 3.08Å; S254-Q288 WeakPolarHBondContact CB-O 3.28Å; S254-Q288 PolarHBondContact N-O 3.34Å; S254-Q288 PolarHBondContact OG-O 3.48Å
255Q88.6Confident89.3Confident94 Ų9450.1 Ų50.144%0.43925%0.25SC..Hα-helixtrans-54.9-35.2172.3-68.7175.3-16.800111.9S253 L257 F258 D259S253-Q255 PolarHBondContact O-N 2.97Å; S253-Q255 VanDerWaalsContact O-N 3.17Å; S253-Q255 WeakPolarHBondContact OG-CB 3.34Å; S253-Q255 PolarHBondContact OG-N 3.48Å; Q255-L257 PolarHBondContact O-N 2.84Å; Q255-L257 VanDerWaalsContact O-N 3.15Å; Q255-F258 CarbonylContact O-C 3.59Å; Q255-F258 WeakPolarHBondContact O-CA 3.49Å; Q255-F258 WeakPolarHBondContact O-CB 3.35Å; Q255-F258 PolarHBondContact O-N 3.22Å; Q255-D259 PolarHBondContact O-N 2.96Å
256V89.1Confident89.1Confident20 Ų2042.7 Ų42.712%0.12122%0.222CC..Hα-helixtrans-60.5-29.4178.9177.50000111.8L220 P221 F248 Y252 S253 S254 W260L220-V256 HydrophobicContact CD1-CG1 4.13Å; P221-V256 HydrophobicContact CG-CG1 3.82Å; P221-V256 HydrophobicContact CG-CG2 4.45Å; F248-V256 HydrophobicContact CD1-CG1 3.85Å; F248-V256 HydrophobicContact CE1-CG1 3.66Å; Y252-V256 HydrophobicContact CD2-CG1 4.36Å; S253-V256 WeakPolarHBondContact O-CB 3.16Å; S253-V256 WeakPolarHBondContact O-CG2 3.19Å; S253-V256 PolarHBondContact O-N 2.85Å; S254-V256 PolarHBondContact O-N 3.17Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.19Å; V256-W260 PolarHBondContact O-N 2.91Å
257L89.6Confident89.1Confident2 Ų246 Ų461%0.0124%0.238CC..Hα-helixtrans-70.6-38174.9-63.5176.4000112.1V234 F248 S254 Q255 W260 M261 L273 L282 L290 I295 L301V234-L257 HydrophobicContact CB-CD2 4.48Å; V234-L257 HydrophobicContact CG1-CD2 4.15Å; V234-L257 HydrophobicContact CG2-CD2 4.27Å; F248-L257 HydrophobicContact CD2-CD2 4.06Å; F248-L257 HydrophobicContact CE1-CD2 4.47Å; F248-L257 HydrophobicContact CE2-CD2 3.76Å; F248-L257 HydrophobicContact CZ-CD2 3.97Å; S254-L257 WeakPolarHBondContact O-CB 3.04Å; S254-L257 PolarHBondContact O-N 3.37Å; Q255-L257 PolarHBondContact O-N 2.84Å; Q255-L257 VanDerWaalsContact O-N 3.15Å; L257-W260 HydrophobicContact CD2-CE3 4.48Å; L257-W260 PolarHBondContact O-N 3.48Å; L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.38Å; L257-L273 HydrophobicContact CB-CD1 3.81Å; L257-L282 HydrophobicContact CD1-CD1 4.19Å; L257-L290 HydrophobicContact CD1-CD2 3.43Å; L257-L290 VanDerWaalsContact CD1-CD2 3.43Å; L257-L290 HydrophobicContact CD2-CD2 4.34Å; L257-L290 HydrophobicContact CG-CD2 3.77Å; L257-I295 HydrophobicContact CD1-CD1 3.69Å; L257-L301 HydrophobicContact CD1-CD1 3.82Å; L257-L301 HydrophobicContact CD2-CD1 4.48Å
258F89.9Confident89Confident9 Ų945.2 Ų45.24%0.03924%0.24CC..Hα-helixtrans-74.8-33.9177.6-66.1-69.1000112.1S254 Q255 W260 M261 T262 I268 L273 L282 V284S254-F258 WeakPolarHBondContact O-CD2 3.08Å; Q255-F258 CarbonylContact O-C 3.59Å; Q255-F258 WeakPolarHBondContact O-CA 3.49Å; Q255-F258 WeakPolarHBondContact O-CB 3.35Å; Q255-F258 PolarHBondContact O-N 3.22Å; F258-W260 VanDerWaalsContact C-N 3.35Å; F258-M261 HydrophobicContact CD1-SD 4.28Å; F258-M261 WeakPolarHBondContact O-CB 3.15Å; F258-M261 PolarHBondContact O-N 2.73Å; F258-T262 WeakPolarHBondContact O-CB 3.29Å; F258-T262 PolarHBondContact O-N 3.25Å; F258-T262 PolarHBondContact O-OG1 3.03Å; F258-I268 HydrophobicContact CB-CG2 3.72Å; F258-I268 HydrophobicContact CD1-CG2 3.84Å; F258-I268 HydrophobicContact CG-CG2 4.13Å; F258-L273 HydrophobicContact CD1-CD1 3.96Å; F258-L273 HydrophobicContact CD1-CG 4.35Å; F258-L273 HydrophobicContact CE1-CB 4.24Å; F258-L273 HydrophobicContact CE1-CD1 3.86Å; F258-L273 HydrophobicContact CE1-CG 4.03Å; F258-L273 HydrophobicContact CZ-CD1 4.36Å; F258-L282 HydrophobicContact CZ-CB 4.16Å; F258-V284 HydrophobicContact CD1-CG2 4.38Å; F258-V284 HydrophobicContact CD2-CG1 4.44Å; F258-V284 HydrophobicContact CE1-CG2 3.83Å; F258-V284 HydrophobicContact CE2-CB 4.41Å; F258-V284 HydrophobicContact CE2-CG1 4.42Å; F258-V284 HydrophobicContact CE2-CG2 4.06Å; F258-V284 HydrophobicContact CZ-CB 4.44Å; F258-V284 HydrophobicContact CZ-CG2 3.65Å
259D90.1Very high88.9Confident59 Ų5948.5 Ų48.532%0.31626%0.263SS..Hα-helixtrans-64.9-42.2170.1-69.5-20.8000110.8P218 L220 Q255 M261 T262 R263P218-D259 HydrophobicContact CB-CB 3.75Å; P218-D259 HydrophobicContact CG-CB 4.25Å; L220-D259 HydrophobicContact CD1-CB 3.7Å; Q255-D259 PolarHBondContact O-N 2.96Å; D259-M261 PolarHBondContact O-N 2.62Å; D259-T262 PolarHBondContact O-N 3.43Å; D259-R263 WeakPolarHBondContact O-CB 3.48Å; D259-R263 PolarHBondContact O-N 2.91Å
260W89.7Confident88.9Confident17 Ų1750.5 Ų50.56%0.06427%0.273CS..Hα-helixtrans-62-44.8174.9-179.639.7000111.8L220 V234 L236 L244 R246 F248 V256 L257 F258 T262 R263 I264L220-W260 HydrophobicContact CD1-CB 3.84Å; L220-W260 VanDerWaalsContact CD1-N 3.32Å; L220-W260 HydrophobicContact CD2-CB 3.54Å; L220-W260 HydrophobicContact CD2-CG 3.65Å; L220-W260 HydrophobicContact CG-CB 4.31Å; V234-W260 HydrophobicContact CG1-CZ3 4.11Å; L236-W260 HydrophobicContact CB-CH2 3.62Å; L236-W260 HydrophobicContact CB-CZ3 3.69Å; L236-W260 HydrophobicContact CD2-CE3 4.45Å; L236-W260 HydrophobicContact CD2-CH2 4.48Å; L236-W260 HydrophobicContact CD2-CZ3 4.26Å; L244-W260 HydrophobicContact CB-CH2 4.26Å; L244-W260 HydrophobicContact CB-CZ2 3.85Å; L244-W260 WeakPolarHBondContact O-CH2 3.1Å; R246-W260 HydrophobicContact CB-CD2 4.41Å; R246-W260 HydrophobicContact CB-CH2 3.82Å; R246-W260 HydrophobicContact CB-CZ2 3.47Å; R246-W260 VanDerWaalsContact CB-CZ2 3.47Å; R246-W260 HydrophobicContact CB-CZ3 4.42Å; F248-W260 HydrophobicContact CE2-CD2 4.39Å; F248-W260 AromaticContact CE2-CE3 3.88Å; F248-W260 HydrophobicContact CE2-CE3 3.88Å; F248-W260 AromaticContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CZ-CB 4.32Å; F248-W260 AromaticContact CZ-CD2 3.81Å; F248-W260 HydrophobicContact CZ-CD2 3.81Å; F248-W260 AromaticContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CG 4.13Å; F248-W260 HydrophobicContact CZ-CZ3 4.2Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.19Å; V256-W260 PolarHBondContact O-N 2.91Å; L257-W260 HydrophobicContact CD2-CE3 4.48Å; L257-W260 PolarHBondContact O-N 3.48Å; F258-W260 VanDerWaalsContact C-N 3.35Å; W260-T262 VanDerWaalsContact C-N 3.33Å; W260-T262 PolarHBondContact O-N 2.87Å; W260-R263 WeakPolarHBondContact O-CB 3.43Å; W260-R263 PolarHBondContact O-N 2.83Å; W260-I264 HydrophobicContact CD2-CD1 3.89Å; W260-I264 HydrophobicContact CG-CD1 4Å; W260-I264 HydrophobicContact CZ2-CD1 4.07Å; W260-I264 WeakPolarHBondContact O-CD1 3.4Å; W260-I264 VanDerWaalsContact O-CG1 3.26Å; W260-I264 WeakPolarHBondContact O-CG1 3.41Å; W260-I264 PolarHBondContact O-N 2.77Å
261M89.8Confident89Confident0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-55.5-47.5173.4-175.8-167.4-137.600111.5L257 F258 D259 R263 I264 G265 Y266 I268 Y271 L273 L303L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.38Å; F258-M261 HydrophobicContact CD1-SD 4.28Å; F258-M261 WeakPolarHBondContact O-CB 3.15Å; F258-M261 PolarHBondContact O-N 2.73Å; D259-M261 PolarHBondContact O-N 2.62Å; M261-R263 PolarHBondContact O-N 3.22Å; M261-I264 PolarHBondContact O-N 3.5Å; M261-G265 PolarHBondContact O-N 2.86Å; M261-Y266 CarbonylContact C-O 3.58Å; M261-Y266 WeakPolarHBondContact CG-O 3.25Å; M261-Y266 PolarHBondContact O-N 3.49Å; M261-Y266 VanDerWaalsContact O-O 3.11Å; M261-I268 HydrophobicContact SD-CG2 4.46Å; M261-Y271 VanDerWaalsContact CE-CB 3.49Å; M261-L273 HydrophobicContact CE-CD2 3.7Å; M261-L273 HydrophobicContact CE-CG 3.87Å; M261-L273 HydrophobicContact SD-CD2 4.37Å; M261-L273 HydrophobicContact SD-CG 4.19Å; M261-L303 HydrophobicContact CE-CB 4.48Å; M261-L303 HydrophobicContact CE-CD1 3.35Å; M261-L303 HydrophobicContact CE-CD2 4.27Å; M261-L303 HydrophobicContact CE-CG 3.4Å; M261-L303 VanDerWaalsContact CE-CG 3.4Å; M261-L303 HydrophobicContact CG-CD1 3.76Å; M261-L303 HydrophobicContact SD-CD1 4.44Å
262T89.7Confident89.2Confident42 Ų4248.7 Ų48.726%0.25826%0.259SS..Hα-helixtrans-63.4-40.7178.3-57.10000111.6F258 D259 W260 I264 G265 Y266F258-T262 WeakPolarHBondContact O-CB 3.29Å; F258-T262 PolarHBondContact O-N 3.25Å; F258-T262 PolarHBondContact O-OG1 3.03Å; D259-T262 PolarHBondContact O-N 3.43Å; W260-T262 VanDerWaalsContact C-N 3.33Å; W260-T262 PolarHBondContact O-N 2.87Å; T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact O-N 2.77Å; T262-G265 WeakPolarHBondContact O-CA 3.31Å; T262-G265 PolarHBondContact O-N 3.49Å; T262-Y266 VanDerWaalsContact CA-O 3.23Å; T262-Y266 WeakPolarHBondContact CA-O 3.33Å; T262-Y266 PolarHBondContact N-O 2.76Å
263R88.1Confident89.4Confident129 Ų12946 Ų4649%0.48725%0.248SC..Hα-helixtrans-63.6-33.2175.6-174.3177.1-179.4115.2-5.2113.2D259 W260 M261 G265D259-R263 WeakPolarHBondContact O-CB 3.48Å; D259-R263 PolarHBondContact O-N 2.91Å; W260-R263 WeakPolarHBondContact O-CB 3.43Å; W260-R263 PolarHBondContact O-N 2.83Å; M261-R263 PolarHBondContact O-N 3.22Å; R263-G265 PolarHBondContact O-N 2.87Å
264I88.3Confident89.5Confident56 Ų5644.5 Ų44.529%0.28724%0.238SC..Hα-helixtrans-73.4-18.1175.2-65.2158.3000111.4L236 L244 W260 M261 T262 Y266L236-I264 HydrophobicContact CD2-CD1 3.82Å; L244-I264 HydrophobicContact CD1-CB 4.23Å; L244-I264 HydrophobicContact CD1-CD1 3.38Å; L244-I264 HydrophobicContact CD1-CG1 3.7Å; L244-I264 HydrophobicContact CD1-CG2 3.43Å; L244-I264 VanDerWaalsContact CD1-CG2 3.43Å; W260-I264 HydrophobicContact CD2-CD1 3.89Å; W260-I264 HydrophobicContact CG-CD1 4Å; W260-I264 HydrophobicContact CZ2-CD1 4.07Å; W260-I264 WeakPolarHBondContact O-CD1 3.4Å; W260-I264 VanDerWaalsContact O-CG1 3.26Å; W260-I264 WeakPolarHBondContact O-CG1 3.41Å; W260-I264 PolarHBondContact O-N 2.77Å; M261-I264 PolarHBondContact O-N 3.5Å; T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact O-N 2.77Å; I264-Y266 HydrophobicContact CB-CD2 4.28Å; I264-Y266 HydrophobicContact CG2-CD2 3.71Å; I264-Y266 HydrophobicContact CG2-CE2 3.73Å
265G88.4Confident89.6Confident64 Ų6445.7 Ų45.766%0.6625%0.245SC*.THydrogen-bonded Turntrans107.712.3179.400000114.4M261 T262 R263M261-G265 PolarHBondContact O-N 2.86Å; T262-G265 WeakPolarHBondContact O-CA 3.31Å; T262-G265 PolarHBondContact O-N 3.49Å; R263-G265 PolarHBondContact O-N 2.87Å
266Y89.6Confident89.5Confident36 Ų3643.8 Ų43.814%0.14124%0.242CC..  trans-105.4115.4175.2-64.8-75.6000109.5C238 S240 M261 T262 I264 Y271 L303C238-Y266 HydrophobicContact CB-CE2 4.11Å; S240-Y266 PolarHBondContact OG-OH 2.87Å; M261-Y266 CarbonylContact C-O 3.58Å; M261-Y266 WeakPolarHBondContact CG-O 3.25Å; M261-Y266 PolarHBondContact O-N 3.49Å; M261-Y266 VanDerWaalsContact O-O 3.11Å; T262-Y266 VanDerWaalsContact CA-O 3.23Å; T262-Y266 WeakPolarHBondContact CA-O 3.33Å; T262-Y266 PolarHBondContact N-O 2.76Å; I264-Y266 HydrophobicContact CB-CD2 4.28Å; I264-Y266 HydrophobicContact CG2-CD2 3.71Å; I264-Y266 HydrophobicContact CG2-CE2 3.73Å; Y266-Y271 HydrophobicContact CD1-CD1 4.36Å; Y266-Y271 AromaticContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CE1 4.29Å; Y266-Y271 AromaticContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CG 4.12Å; Y266-Y271 AromaticContact CD1-CZ 3.94Å; Y266-Y271 HydrophobicContact CE1-CE2 4.41Å; Y266-Y271 HydrophobicContact CG-CD2 4.4Å; Y266-L303 HydrophobicContact CD1-CD1 4.28Å; Y266-L303 HydrophobicContact CD1-CD2 3.53Å; Y266-L303 HydrophobicContact CD2-CD1 3.65Å; Y266-L303 HydrophobicContact CD2-CD2 4.3Å; Y266-L303 HydrophobicContact CE1-CD2 3.85Å; Y266-L303 HydrophobicContact CE2-CD1 4.27Å; Y266-L303 HydrophobicContact CG-CD1 3.66Å; Y266-L303 HydrophobicContact CG-CD2 3.79Å; Y266-L303 HydrophobicContact CG-CG 4.4Å
267H89.8Confident89.2Confident95 Ų9551.8 Ų51.844%0.4428%0.276SS..  trans-86.4139.4-177.7-165.9-102.8000111.9S269 L270 Y271H267-S269 PolarHBondContact CE1-OG 3.22Å; H267-S269 WeakPolarHBondContact ND1-CB 3.18Å; H267-S269 PolarHBondContact ND1-N 3.49Å; H267-S269 PolarHBondContact ND1-OG 2.86Å; H267-S269 PolarHBondContact O-N 3.38Å; H267-S269 VanDerWaalsContact O-N 3.08Å; H267-L270 PolarHBondContact O-N 2.83Å; H267-Y271 PolarHBondContact O-N 3.4Å
268I88.1Confident89Confident68 Ų6854.9 Ų54.935%0.34930%0.296SS..THydrogen-bonded Turntrans-57.3-23.2-179.457.3172.9000115F258 M261 Y271F258-I268 HydrophobicContact CB-CG2 3.72Å; F258-I268 HydrophobicContact CD1-CG2 3.84Å; F258-I268 HydrophobicContact CG-CG2 4.13Å; M261-I268 HydrophobicContact SD-CG2 4.46Å; I268-Y271 CarbonylContact C-O 3.58Å
269S87.6Confident88.9Confident71 Ų7163 Ų6350%0.49733%0.326SS..THydrogen-bonded Turntrans-73.9-27.9177.1-49.60000113.1H267H267-S269 PolarHBondContact CE1-OG 3.22Å; H267-S269 WeakPolarHBondContact ND1-CB 3.18Å; H267-S269 PolarHBondContact ND1-N 3.49Å; H267-S269 PolarHBondContact ND1-OG 2.86Å; H267-S269 PolarHBondContact O-N 3.38Å; H267-S269 VanDerWaalsContact O-N 3.08Å
270L88.8Confident88.8Confident81 Ų8168 Ų6842%0.42434%0.341SS..THydrogen-bonded Turntrans-105-26.1-175.3-62.1178.8000112.3H267 K306H267-L270 PolarHBondContact O-N 2.83Å; L270-K306 PolarHBondContact O-N 3.05Å
271Y90.6Very high88.7Confident56 Ų5672 Ų7222%0.2237%0.368CS..EExtended strand (participates in β ladder)trans-129.3146.2-175.5-62.6-81.8000111.1P239 M261 Y266 H267 I268 L303 E304 E305P239-Y271 HydrophobicContact CG-CE1 4.27Å; M261-Y271 VanDerWaalsContact CE-CB 3.49Å; Y266-Y271 HydrophobicContact CD1-CD1 4.36Å; Y266-Y271 AromaticContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CE1 4.29Å; Y266-Y271 AromaticContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CG 4.12Å; Y266-Y271 AromaticContact CD1-CZ 3.94Å; Y266-Y271 HydrophobicContact CE1-CE2 4.41Å; Y266-Y271 HydrophobicContact CG-CD2 4.4Å; H267-Y271 PolarHBondContact O-N 3.4Å; I268-Y271 CarbonylContact C-O 3.58Å; Y271-L303 HydrophobicContact CD1-CD2 3.38Å; Y271-L303 HydrophobicContact CE1-CD2 4.04Å; Y271-L303 HydrophobicContact CG-CD2 3.69Å; Y271-E304 CarbonylContact C-O 3.59Å; Y271-E304 VanDerWaalsContact CA-O 3.22Å; Y271-E304 WeakPolarHBondContact CA-O 3.37Å; Y271-E305 HydrophobicContact CD1-CB 4.29Å; Y271-E305 HydrophobicContact CE1-CB 4.16Å; Y271-E305 HydrophobicContact CE1-CG 4.42Å
272S91.4Very high88.5Confident29 Ų2972.7 Ų72.720%0.20337%0.372CS..EExtended strand (participates in β ladder)trans-121.3156.5174.965.50000110.4E304S272-E304 PolarHBondContact N-O 2.66Å; S272-E304 PolarHBondContact O-N 3.47Å
273L92Very high87.9Confident2 Ų273.4 Ų73.41%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-99.5131.1175.4-68175.9000108.8L236 L257 F258 M261 P281 L282 L301L236-L273 HydrophobicContact CD1-CD2 3.26Å; L257-L273 HydrophobicContact CB-CD1 3.81Å; F258-L273 HydrophobicContact CD1-CD1 3.96Å; F258-L273 HydrophobicContact CD1-CG 4.35Å; F258-L273 HydrophobicContact CE1-CB 4.24Å; F258-L273 HydrophobicContact CE1-CD1 3.86Å; F258-L273 HydrophobicContact CE1-CG 4.03Å; F258-L273 HydrophobicContact CZ-CD1 4.36Å; M261-L273 HydrophobicContact CE-CD2 3.7Å; M261-L273 HydrophobicContact CE-CG 3.87Å; M261-L273 HydrophobicContact SD-CD2 4.37Å; M261-L273 HydrophobicContact SD-CG 4.19Å; L273-P281 CarbonylContact O-C 3.54Å; L273-P281 WeakPolarHBondContact O-CA 3.36Å; L273-L282 HydrophobicContact CB-CB 4.26Å; L273-L282 HydrophobicContact CB-CD1 3.87Å; L273-L282 HydrophobicContact CB-CG 4.12Å; L273-L282 HydrophobicContact CD1-CD1 4.43Å; L273-L282 WeakPolarHBondContact O-CB 3.44Å; L273-L282 PolarHBondContact O-N 2.9Å; L273-L301 HydrophobicContact CD1-CD1 4.42Å
274S91.8Very high87Confident3 Ų371.7 Ų71.72%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-126.3145.4177.7-66.10000111R280 L301 I302 E304S274-R280 CarbonylContact C-O 3.55Å; S274-R280 VanDerWaalsContact CA-O 3.29Å; S274-R280 WeakPolarHBondContact CA-O 3.36Å; S274-L301 CarbonylContact O-C 3.49Å; S274-L301 WeakPolarHBondContact O-CA 3.38Å; S274-I302 PolarHBondContact N-O 2.7Å; S274-I302 PolarHBondContact O-N 3.35Å; S274-E304 VanDerWaalsContact CB-OE2 3.28Å; S274-E304 WeakPolarHBondContact CB-OE2 3.22Å; S274-E304 PolarHBondContact OG-OE2 3.36Å
275T91.4Very high86Confident27 Ų2774.8 Ų74.817%0.16640%0.399CS..EExtended strand (participates in β ladder)trans-71.3157.9171.655.70000111.4P278 R279 R280 L282 L301T275-P278 PolarHBondContact OG1-O 2.89Å; T275-R279 WeakPolarHBondContact O-CA 3.21Å; T275-R280 PolarHBondContact N-O 3.37Å; T275-R280 PolarHBondContact OG1-N 3.44Å; T275-R280 PolarHBondContact OG1-O 3.42Å; T275-L282 HydrophobicContact CG2-CD2 3.92Å; T275-L301 HydrophobicContact CG2-CD2 4.27Å
276S86.3Confident84.9Confident54 Ų5474.3 Ų74.338%0.37840%0.395SS..SBendtrans-73.4-51-179.560.30000113.8R279 V300S276-R279 WeakPolarHBondContact O-CG 3.27Å; S276-V300 PolarHBondContact N-O 2.9Å
277F82Confident84Confident188 Ų18875.5 Ų75.583%0.82542%0.417SS*.SBendtrans-156.6130.3178-172.4-96.6000112.5
278P86.3Confident83.6Confident66 Ų6674 Ų7443%0.42941%0.411SS..SBendcis-61.6141.3-14.528.4-34.3000109.8T275 R280T275-P278 PolarHBondContact OG1-O 2.89Å; P278-R280 PolarHBondContact O-N 2.94Å
279R87.9Confident83.7Confident180 Ų18071.5 Ų71.568%0.67940%0.399SS*.  trans-65.6117-179.2-68.8-170.7-174.7-167.25.4109.9T275 S276T275-R279 WeakPolarHBondContact O-CA 3.21Å; S276-R279 WeakPolarHBondContact O-CG 3.27Å
280R87.4Confident83.7Confident165 Ų16568.1 Ų68.162%0.62338%0.376SS*.  trans-138.7130177.6-66.3-177.9179.6171.5-0.2109.1S274 T275 P278S274-R280 CarbonylContact C-O 3.55Å; S274-R280 VanDerWaalsContact CA-O 3.29Å; S274-R280 WeakPolarHBondContact CA-O 3.36Å; T275-R280 PolarHBondContact N-O 3.37Å; T275-R280 PolarHBondContact OG1-N 3.44Å; T275-R280 PolarHBondContact OG1-O 3.42Å; P278-R280 PolarHBondContact O-N 2.94Å
281P87.4Confident83.6Confident99 Ų9969 Ų6964%0.64338%0.378SS*.BIsolated β-bridgetrans-67.7136.5171.829-33000109.5L273 A283L273-P281 CarbonylContact O-C 3.54Å; L273-P281 WeakPolarHBondContact O-CA 3.36Å; P281-A283 PolarHBondContact O-N 2.83Å
282L85.8Confident83.5Confident16 Ų1671.7 Ų71.78%0.08440%0.396CS..PPolyproline II helixtrans-73.7121.3172.1-59.2-170.3000108.2L257 F258 L273 T275 I293 I295 L301L257-L282 HydrophobicContact CD1-CD1 4.19Å; F258-L282 HydrophobicContact CZ-CB 4.16Å; L273-L282 HydrophobicContact CB-CB 4.26Å; L273-L282 HydrophobicContact CB-CD1 3.87Å; L273-L282 HydrophobicContact CB-CG 4.12Å; L273-L282 HydrophobicContact CD1-CD1 4.43Å; L273-L282 WeakPolarHBondContact O-CB 3.44Å; L273-L282 PolarHBondContact O-N 2.9Å; T275-L282 HydrophobicContact CG2-CD2 3.92Å; L282-I293 HydrophobicContact CD2-CG2 3.59Å; L282-I295 HydrophobicContact CD1-CD1 4.34Å; L282-L301 HydrophobicContact CD1-CD1 3.91Å; L282-L301 HydrophobicContact CD1-CD2 3.95Å
283A76.9Confident83.2Confident56 Ų5672 Ų7246%0.46340%0.395SS..PPolyproline II helixtrans-67.1134.4173.600000109.4P281 E285P281-A283 PolarHBondContact O-N 2.83Å; A283-E285 HydrophobicContact CB-CB 4.26Å; A283-E285 PolarHBondContact O-N 2.92Å
284V68.6Low82.8Confident94 Ų9474.2 Ų74.257%0.5742%0.418SS*.  trans-77.851.4167.9-166.60000108.2F258 G286F258-V284 HydrophobicContact CD1-CG2 4.38Å; F258-V284 HydrophobicContact CD2-CG1 4.44Å; F258-V284 HydrophobicContact CE1-CG2 3.83Å; F258-V284 HydrophobicContact CE2-CB 4.41Å; F258-V284 HydrophobicContact CE2-CG1 4.42Å; F258-V284 HydrophobicContact CE2-CG2 4.06Å; F258-V284 HydrophobicContact CZ-CB 4.44Å; F258-V284 HydrophobicContact CZ-CG2 3.65Å; V284-G286 PolarHBondContact O-N 2.94Å
285E67.7Low82.6Confident120 Ų12074.2 Ų74.256%0.56142%0.417SS*.  trans-88.3108.9175.8-141174.4-17200106.8A283 G287 Q288A283-E285 HydrophobicContact CB-CB 4.26Å; A283-E285 PolarHBondContact O-N 2.92Å; E285-G287 PolarHBondContact O-N 3.45Å; E285-Q288 PolarHBondContact OE2-NE2 2.92Å
286G66.3Low82.4Confident55 Ų5576.4 Ų76.457%0.56743%0.431SS*.THydrogen-bonded Turntrans-61.9127.3-172.800000111.6V284V284-G286 PolarHBondContact O-N 2.94Å
287G69.1Low82.5Confident60 Ų6078.4 Ų78.462%0.61944%0.441SS*.THydrogen-bonded Turntrans103.4-0.8168.400000116.6E285E285-G287 PolarHBondContact O-N 3.45Å
288Q82.1Confident83Confident65 Ų6574.7 Ų74.730%0.30443%0.429SS..  trans-76.1137.9169.4-71.5174.518.200110.6S254 E285 D292 I293S254-Q288 WeakPolarHBondContact CB-O 3.28Å; S254-Q288 PolarHBondContact N-O 3.34Å; S254-Q288 PolarHBondContact OG-O 3.48Å; E285-Q288 PolarHBondContact OE2-NE2 2.92Å; Q288-D292 HydrophobicContact CB-CB 4.3Å; Q288-I293 HydrophobicContact CB-CD1 3.88Å; Q288-I293 HydrophobicContact CB-CG1 3.84Å
289S89.6Confident83.2Confident14 Ų1472.5 Ų72.510%0.09842%0.415CS..BIsolated β-bridgetrans-74.2165.3174.369.20000111.3Y252 E291 D292 I293Y252-S289 CarbonylContact O-C 3.57Å; Y252-S289 VanDerWaalsContact O-CA 3.3Å; Y252-S289 WeakPolarHBondContact O-CA 3.44Å; S289-E291 PolarHBondContact O-N 3.09Å; S289-E291 WeakPolarHBondContact OG-CG 3.42Å; S289-D292 WeakPolarHBondContact CB-OD2 3.34Å; S289-D292 PolarHBondContact N-OD2 3.35Å; S289-D292 VanDerWaalsContact N-OD2 3.12Å; S289-D292 PolarHBondContact O-N 3.25Å; S289-D292 PolarHBondContact OG-N 3.4Å; S289-D292 PolarHBondContact OG-OD2 2.88Å; S289-I293 WeakPolarHBondContact O-CG1 3.26Å; S289-I293 PolarHBondContact O-N 3.28Å
290L88.2Confident83.4Confident1 Ų166.1 Ų66.11%0.00540%0.396CS..THydrogen-bonded Turntrans-61.5-35.7176-67.8-176.1000111.8V232 F248 L249 K250 Y252 L257 I293 G294 I295V232-L290 HydrophobicContact CG2-CD1 4.17Å; F248-L290 HydrophobicContact CB-CD1 3.53Å; F248-L290 HydrophobicContact CG-CD1 4.26Å; L249-L290 WeakPolarHBondContact O-CD1 3.4Å; K250-L290 PolarHBondContact O-N 3.28Å; Y252-L290 PolarHBondContact O-N 2.63Å; L257-L290 HydrophobicContact CD1-CD2 3.43Å; L257-L290 VanDerWaalsContact CD1-CD2 3.43Å; L257-L290 HydrophobicContact CD2-CD2 4.34Å; L257-L290 HydrophobicContact CG-CD2 3.77Å; L290-I293 PolarHBondContact O-N 2.91Å; L290-G294 PolarHBondContact O-N 3.49Å; L290-I295 HydrophobicContact CB-CB 4.2Å; L290-I295 HydrophobicContact CD2-CD1 3.97Å; L290-I295 WeakPolarHBondContact O-CA 3.47Å; L290-I295 VanDerWaalsContact O-CB 3.29Å; L290-I295 WeakPolarHBondContact O-CB 3.43Å; L290-I295 PolarHBondContact O-N 2.85Å
291E87.8Confident83.7Confident100 Ų10058.3 Ų58.347%0.46737%0.367SS..THydrogen-bonded Turntrans-66.6-40.5175.557.1-178.4-166.200112.8K250 S289 I293 G294 T296K250-E291 HydrophobicContact CB-CB 4.43Å; K250-E291 PolarHBondContact O-N 3.07Å; S289-E291 PolarHBondContact O-N 3.09Å; S289-E291 WeakPolarHBondContact OG-CG 3.42Å; E291-I293 PolarHBondContact O-N 2.87Å; E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3.49Å; E291-T296 HydrophobicContact CB-CG2 4.39Å
292D87.1Confident83.9Confident111 Ų11155.3 Ų55.359%0.59435%0.345SS*.THydrogen-bonded Turntrans-62.5-32179.1-65.3-39.4000112.2Q288 S289 G294Q288-D292 HydrophobicContact CB-CB 4.3Å; S289-D292 WeakPolarHBondContact CB-OD2 3.34Å; S289-D292 PolarHBondContact N-OD2 3.35Å; S289-D292 VanDerWaalsContact N-OD2 3.12Å; S289-D292 PolarHBondContact O-N 3.25Å; S289-D292 PolarHBondContact OG-N 3.4Å; S289-D292 PolarHBondContact OG-OD2 2.88Å; D292-G294 PolarHBondContact O-N 3.22Å
293I85.6Confident84.3Confident37 Ų3754.9 Ų54.919%0.1934%0.342CS..THydrogen-bonded Turntrans-82.3-5.4178.9-64.3175.7000111.9L282 Q288 S289 L290 E291 I295L282-I293 HydrophobicContact CD2-CG2 3.59Å; Q288-I293 HydrophobicContact CB-CD1 3.88Å; Q288-I293 HydrophobicContact CB-CG1 3.84Å; S289-I293 WeakPolarHBondContact O-CG1 3.26Å; S289-I293 PolarHBondContact O-N 3.28Å; L290-I293 PolarHBondContact O-N 2.91Å; E291-I293 PolarHBondContact O-N 2.87Å; I293-I295 HydrophobicContact CG2-CD1 4.48Å
294G84.4Confident84.9Confident48 Ų4855.1 Ų55.150%0.49533%0.334SS..THydrogen-bonded Turntrans90.516.4179.100000114.3L290 E291 D292 T296L290-G294 PolarHBondContact O-N 3.49Å; E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3.49Å; D292-G294 PolarHBondContact O-N 3.22Å; G294-T296 VanDerWaalsContact C-N 3.27Å; G294-T296 PolarHBondContact O-N 2.99Å
295I86.7Confident86Confident2 Ų257.7 Ų57.71%0.0134%0.34CS..  trans-90.566.2172.6-53.5172.5000108.2V232 V234 L257 L282 L290 I293 L301V232-I295 HydrophobicContact CG2-CG2 4.24Å; V234-I295 HydrophobicContact CG2-CG2 4.06Å; L257-I295 HydrophobicContact CD1-CD1 3.69Å; L282-I295 HydrophobicContact CD1-CD1 4.34Å; L290-I295 HydrophobicContact CB-CB 4.2Å; L290-I295 HydrophobicContact CD2-CD1 3.97Å; L290-I295 WeakPolarHBondContact O-CA 3.47Å; L290-I295 VanDerWaalsContact O-CB 3.29Å; L290-I295 WeakPolarHBondContact O-CB 3.43Å; L290-I295 PolarHBondContact O-N 2.85Å; I293-I295 HydrophobicContact CG2-CD1 4.48Å; I295-L301 HydrophobicContact CD1-CD1 4.4Å
296T87.7Confident87Confident74 Ų7457.7 Ų57.745%0.45434%0.338SS..  trans-90.4-20-179.754.60000113.2K250 E291 G294K250-T296 VanDerWaalsContact CE-O 3.28Å; K250-T296 WeakPolarHBondContact CE-O 3.26Å; E291-T296 HydrophobicContact CB-CG2 4.39Å; G294-T296 VanDerWaalsContact C-N 3.27Å; G294-T296 PolarHBondContact O-N 2.99Å
297V88.9Confident87.6Confident95 Ų9563.4 Ų63.458%0.57635%0.35SS*.SBendtrans-127.3171.9-179.4-62.40000110.4T299V297-T299 PolarHBondContact O-N 3.25Å; V297-T299 PolarHBondContact O-OG1 3.21Å
298D90.6Very high87.7Confident110 Ų11068.1 Ų68.159%0.58836%0.356SS*.SBendtrans-53.4111.9171-74.5-4.5000110.3T233T233-D298 WeakPolarHBondContact CA-OD1 3.34Å; T233-D298 VanDerWaalsContact CB-OD1 3.25Å; T233-D298 WeakPolarHBondContact CB-OD1 3.32Å; T233-D298 PolarHBondContact N-OD1 2.8Å; T233-D298 VanDerWaalsContact O-CA 3.3Å; T233-D298 WeakPolarHBondContact O-CA 3.15Å; T233-D298 PolarHBondContact OG1-OD1 3.39Å
299T90.7Very high86.6Confident21 Ų2171.7 Ų71.713%0.12938%0.382CS..EExtended strand (participates in β ladder)trans-121143.1-167.5-60.50000110.5T233 V234 A235 V297 L301T233-T299 PolarHBondContact O-N 3.37Å; T233-T299 VanDerWaalsContact O-N 3.11Å; V234-T299 WeakPolarHBondContact CA-O 3.34Å; A235-T299 PolarHBondContact N-O 2.99Å; V297-T299 PolarHBondContact O-N 3.25Å; V297-T299 PolarHBondContact O-OG1 3.21Å; T299-L301 HydrophobicContact CG2-CD2 4.11Å
300V92.5Very high84.2Confident46 Ų4682 Ų8228%0.27944%0.436SS..EExtended strand (participates in β ladder)trans-99.7120173.5-178.10000108.9A235 R237 S276A235-V300 HydrophobicContact CB-CG2 4.26Å; A235-V300 CarbonylContact O-C 3.51Å; A235-V300 WeakPolarHBondContact O-CA 3.45Å; R237-V300 HydrophobicContact CG-CG1 3.9Å; S276-V300 PolarHBondContact N-O 2.9Å
301L93.2Very high84Confident1 Ų186 Ų861%0.00546%0.457CS..EExtended strand (participates in β ladder)trans-102.6143.3172.3-59.6-178.3000109.9V234 A235 L236 R237 L257 L273 S274 T275 L282 I295 T299V234-L301 HydrophobicContact CG1-CB 4.5Å; V234-L301 HydrophobicContact CG1-CD1 3.55Å; V234-L301 HydrophobicContact CG1-CG 3.84Å; A235-L301 PolarHBondContact O-N 2.89Å; L236-L301 CarbonylContact C-O 3.5Å; L236-L301 WeakPolarHBondContact CA-O 3.27Å; L236-L301 HydrophobicContact CD1-CB 4.11Å; R237-L301 PolarHBondContact N-O 3.43Å; L257-L301 HydrophobicContact CD1-CD1 3.82Å; L257-L301 HydrophobicContact CD2-CD1 4.48Å; L273-L301 HydrophobicContact CD1-CD1 4.42Å; S274-L301 CarbonylContact O-C 3.49Å; S274-L301 WeakPolarHBondContact O-CA 3.38Å; T275-L301 HydrophobicContact CG2-CD2 4.27Å; L282-L301 HydrophobicContact CD1-CD1 3.91Å; L282-L301 HydrophobicContact CD1-CD2 3.95Å; I295-L301 HydrophobicContact CD1-CD1 4.4Å; T299-L301 HydrophobicContact CG2-CD2 4.11Å
302I93.4Very high83.8Confident36 Ų3685.3 Ų85.319%0.18546%0.457CS..EExtended strand (participates in β ladder)trans-109.5129.6179.1-55.3177.2000107.2S274 E304S274-I302 PolarHBondContact N-O 2.7Å; S274-I302 PolarHBondContact O-N 3.35Å; I302-E304 HydrophobicContact CB-CG 4.47Å; I302-E304 HydrophobicContact CG2-CG 3.8Å
303L92.6Very high83.6Confident6 Ų683.8 Ų83.83%0.03145%0.449CS..EExtended strand (participates in β ladder)trans-92111.1176.3-169144.2000108.6L236 R237 P239 M261 Y266 Y271L236-L303 HydrophobicContact CD1-CB 4.12Å; L236-L303 HydrophobicContact CD1-CD1 4.27Å; L236-L303 HydrophobicContact CD2-CD1 3.95Å; L236-L303 HydrophobicContact CG-CD1 4.35Å; R237-L303 WeakPolarHBondContact O-CB 3.35Å; R237-L303 PolarHBondContact O-N 2.83Å; P239-L303 HydrophobicContact CG-CD2 3.65Å; P239-L303 WeakPolarHBondContact CG-O 3.38Å; M261-L303 HydrophobicContact CE-CB 4.48Å; M261-L303 HydrophobicContact CE-CD1 3.35Å; M261-L303 HydrophobicContact CE-CD2 4.27Å; M261-L303 HydrophobicContact CE-CG 3.4Å; M261-L303 VanDerWaalsContact CE-CG 3.4Å; M261-L303 HydrophobicContact CG-CD1 3.76Å; M261-L303 HydrophobicContact SD-CD1 4.44Å; Y266-L303 HydrophobicContact CD1-CD1 4.28Å; Y266-L303 HydrophobicContact CD1-CD2 3.53Å; Y266-L303 HydrophobicContact CD2-CD1 3.65Å; Y266-L303 HydrophobicContact CD2-CD2 4.3Å; Y266-L303 HydrophobicContact CE1-CD2 3.85Å; Y266-L303 HydrophobicContact CE2-CD1 4.27Å; Y266-L303 HydrophobicContact CG-CD1 3.66Å; Y266-L303 HydrophobicContact CG-CD2 3.79Å; Y266-L303 HydrophobicContact CG-CG 4.4Å; Y271-L303 HydrophobicContact CD1-CD2 3.38Å; Y271-L303 HydrophobicContact CE1-CD2 4.04Å; Y271-L303 HydrophobicContact CG-CD2 3.69Å
304E91Very high83.5Confident61 Ų6186.6 Ų86.629%0.28547%0.465SS..EExtended strand (participates in β ladder)trans-112.8143.6-173.9-63.6-175.4152.100110.2Y271 S272 S274 I302Y271-E304 CarbonylContact C-O 3.59Å; Y271-E304 VanDerWaalsContact CA-O 3.22Å; Y271-E304 WeakPolarHBondContact CA-O 3.37Å; S272-E304 PolarHBondContact N-O 2.66Å; S272-E304 PolarHBondContact O-N 3.47Å; S274-E304 VanDerWaalsContact CB-OE2 3.28Å; S274-E304 WeakPolarHBondContact CB-OE2 3.22Å; S274-E304 PolarHBondContact OG-OE2 3.36Å; I302-E304 HydrophobicContact CB-CG 4.47Å; I302-E304 HydrophobicContact CG2-CG 3.8Å
305E90.8Very high83.5Confident149 Ų14989 Ų8970%0.69646%0.463SS*.EExtended strand (participates in β ladder)trans-71.2129.4173.5-171.6170.8-178.200109.2Y271 E307Y271-E305 HydrophobicContact CD1-CB 4.29Å; Y271-E305 HydrophobicContact CE1-CB 4.16Å; Y271-E305 HydrophobicContact CE1-CG 4.42Å; E305-E307 PolarHBondContact O-N 3.1Å
306K88.3Confident83.3Confident120 Ų12094.8 Ų94.852%0.52249%0.493SS..PPolyproline II helixtrans-76.9122179.5-171.5178.3-179.4178.50108.4L270 Q308L270-K306 PolarHBondContact O-N 3.05Å; K306-Q308 PolarHBondContact O-N 3.24Å
307E78.9Confident82.9Confident175 Ų17596.3 Ų96.382%0.81850%0.496SS*.PPolyproline II helixtrans-62.7118.9171.6-65.3-173.3172.900109E305 T309E305-E307 PolarHBondContact O-N 3.1Å; E307-T309 PolarHBondContact O-N 3.35Å; E307-T309 VanDerWaalsContact O-N 3.08Å
308Q72.1Confident82.5Confident159 Ų15996.4 Ų96.474%0.74349%0.49SS*.  trans-71.3103.2172.3-76.9167.39.200107.6K306 N310K306-Q308 PolarHBondContact O-N 3.24Å; Q308-N310 PolarHBondContact O-N 3.1Å; Q308-N310 VanDerWaalsContact O-N 3.1Å
309T57.5Low81.8Confident139 Ų13995.3 Ų95.385%0.85348%0.481SS*.  trans-62.1109.8167.449.40000107.9E307E307-T309 PolarHBondContact O-N 3.35Å; E307-T309 VanDerWaalsContact O-N 3.08Å
310N40.6Very low81Confident230 Ų230102 Ų102100%1.2351%0.513SS*.  trans-82.60171.9-162.1-10.2000109.4Q308Q308-N310 PolarHBondContact O-N 3.1Å; Q308-N310 VanDerWaalsContact O-N 3.1Å

Retrieved 310 of 310 residues in 103.9 ms (Link to these results)