A0A2K5ZRM7_MANLE Loading...

R-spondin-3

Activator of the canonical Wnt signaling pathway by acting as a ligand for LGR4-6 receptors, which acts as a key regulator of angiogenesis. Upon binding to LGR4-6 (LGR4, LGR5 or LGR6), LGR4-6 associate with phosphorylated LRP6 and frizzled receptors that are activated by extracellular Wnt receptors, triggering the canonical Wnt signaling pathway to increase expression of target genes. Also regulates the canonical Wnt/beta-catenin-dependent pathway and non-canonical Wnt signaling by acting as an inhibitor of ZNRF3, an important regulator of the Wnt signaling pathway. Acts as a ligand for frizzled FZD8 and LRP6. May negatively regulate the TGF-beta pathway. Acts as a key regulator of angiogenesis by controlling vascular stability and pruning: acts by activating the non-canonical Wnt signaling pathway in endothelial cells. Can also amplify Wnt signaling pathway independently of LGR4-6 receptors, possibly by acting as a direct antagonistic ligand to RNF43 and ZNRF3.

AlphaFold DB , UniProt , Accession A0A2K5ZRM7, Species MANLE (Mandrillus leucophaeus, Drill), Gene RSPO3, Length 293 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
1M59.9Low63.9Low232 Ų232141.7 Ų141.7100%1.14366%0.664SS**  012.70-65.2-80.4-17100114
2H59.4Low64.3Low148 Ų148137.9 Ų137.969%0.68565%0.649SS**  trans-112.3-4.4-172.2-137.3-83.4000115.6
3L58.1Low64.2Low154 Ų154134.1 Ų134.181%0.80664%0.635SS**Hα-helixtrans-93-13.6-178.9-83143.9000114.3
4R58.9Low63.8Low219 Ų219132.4 Ų132.483%0.82663%0.631SS**Hα-helixtrans-83-25177.5-70.5-95172144-4.5112.7W8R4-W8 PolarHBondContact O-N 3.42Å
5L60Low63.5Low116 Ų116132.3 Ų132.361%0.60763%0.628SS**Hα-helixtrans-76.2-33.6179.4-72.8164.8000112.7W8 F9L5-W8 PolarHBondContact O-N 3.3Å; L5-F9 WeakPolarHBondContact O-CB 3.07Å; L5-F9 PolarHBondContact O-N 3.2Å
6I64.6Low63.1Low88 Ų88132.6 Ų132.645%0.45163%0.631SS.*Hα-helixtrans-69.2-39.5179-60.3168000110.6W8 F9 F10I6-W8 PolarHBondContact O-N 3.31Å; I6-F9 PolarHBondContact O-N 3.26Å; I6-F10 HydrophobicContact CG2-CD2 3.99Å; I6-F10 HydrophobicContact CG2-CE2 3.76Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.28Å; I6-F10 PolarHBondContact O-N 3.29Å
7S67.6Low62.5Low67 Ų67134.2 Ų134.247%0.46964%0.638SS.*Hα-helixtrans-64.5-39.1176.3176.70000112.5I11S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.9Å
8W66.8Low62.1Low181 Ų181136.1 Ų136.169%0.68664%0.639SS**Hα-helixtrans-69.9-33.6175.1-84.831.1000112.9R4 L5 I6 I11 I12R4-W8 PolarHBondContact O-N 3.42Å; L5-W8 PolarHBondContact O-N 3.3Å; I6-W8 PolarHBondContact O-N 3.31Å; W8-I11 PolarHBondContact O-N 3.48Å; W8-I12 VanDerWaalsContact O-CG1 3.27Å; W8-I12 WeakPolarHBondContact O-CG1 2.99Å; W8-I12 PolarHBondContact O-N 2.04Å
9F70.9Confident61.7Low129 Ų129134.1 Ų134.157%0.56663%0.632SS**Hα-helixtrans-64.5-41.2177.1-163.5-104.2000112.5L5 I6 I11 I12 L13L5-F9 WeakPolarHBondContact O-CB 3.07Å; L5-F9 PolarHBondContact O-N 3.2Å; I6-F9 PolarHBondContact O-N 3.26Å; F9-I11 PolarHBondContact O-N 3.4Å; F9-I12 PolarHBondContact O-N 3.26Å; F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.28Å; F9-L13 HydrophobicContact CZ-CD1 4.33Å; F9-L13 WeakPolarHBondContact O-CG 3.41Å; F9-L13 PolarHBondContact O-N 3.14Å
10F66.8Low61.1Low126 Ų126130.8 Ų130.855%0.55364%0.636SS**Hα-helixtrans-68.4-31.2175.2-80.6-73.2000113.7I6 N14I6-F10 HydrophobicContact CG2-CD2 3.99Å; I6-F10 HydrophobicContact CG2-CE2 3.76Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.28Å; I6-F10 PolarHBondContact O-N 3.29Å; F10-N14 PolarHBondContact O-N 2.92Å; F10-N14 PolarHBondContact O-ND2 3.36Å
11I70.4Confident60.6Low99 Ų99129.6 Ų129.651%0.50864%0.64SS.*Hα-helixtrans-71.3-40.5175.7-66165.2000110.5S7 W8 F9 N14 F15S7-I11 WeakPolarHBondContact O-CD1 3.34Å; S7-I11 VanDerWaalsContact O-CG1 3.29Å; S7-I11 WeakPolarHBondContact O-CG1 3.45Å; S7-I11 PolarHBondContact O-N 2.9Å; W8-I11 PolarHBondContact O-N 3.48Å; F9-I11 PolarHBondContact O-N 3.4Å; I11-N14 PolarHBondContact O-N 3.39Å; I11-F15 WeakPolarHBondContact O-CB 3.46Å; I11-F15 PolarHBondContact O-N 3.47Å; I11-F15 VanDerWaalsContact O-N 3.08Å
12I67.9Low60.4Low96 Ų96125.1 Ų125.149%0.49262%0.617SS.*Hα-helixtrans-68.5-38.9177.9-66.2165.3000111.5W8 F9 F15 M16W8-I12 VanDerWaalsContact O-CG1 3.27Å; W8-I12 WeakPolarHBondContact O-CG1 2.99Å; W8-I12 PolarHBondContact O-N 2.04Å; F9-I12 PolarHBondContact O-N 3.26Å; I12-F15 PolarHBondContact O-N 3.46Å; I12-M16 PolarHBondContact O-N 3.03Å; I12-M16 VanDerWaalsContact O-N 3.09Å
13L63.2Low59.9Low88 Ų88125.5 Ų125.546%0.46162%0.624SS.*Hα-helixtrans-64.9-40.1175.9-73173.9000112.6F9 F15 E17F9-L13 HydrophobicContact CD1-CD1 3.74Å; F9-L13 HydrophobicContact CD1-CG 4.42Å; F9-L13 HydrophobicContact CE1-CD1 3.55Å; F9-L13 HydrophobicContact CE1-CG 4.28Å; F9-L13 HydrophobicContact CZ-CD1 4.33Å; F9-L13 WeakPolarHBondContact O-CG 3.41Å; F9-L13 PolarHBondContact O-N 3.14Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.77Å; L13-E17 PolarHBondContact O-N 2.91Å
14N58.9Low59.1Low110 Ų110122.8 Ų122.859%0.58862%0.624SS**Hα-helixtrans-69.1-28.3174.3-85.7-91.6000112.9F10 I11 Y18F10-N14 PolarHBondContact O-N 2.92Å; F10-N14 PolarHBondContact O-ND2 3.36Å; I11-N14 PolarHBondContact O-N 3.39Å; N14-Y18 PolarHBondContact O-N 2.88Å
15F58.7Low58.5Low131 Ų131116.8 Ų116.858%0.57562%0.615SS**Hα-helixtrans-76.2-33.9178.5-137.9-103.7000112.6I11 I12 L13 Y18 I19I11-F15 WeakPolarHBondContact O-CB 3.46Å; I11-F15 PolarHBondContact O-N 3.47Å; I11-F15 VanDerWaalsContact O-N 3.08Å; I12-F15 PolarHBondContact O-N 3.46Å; L13-F15 VanDerWaalsContact C-N 3.31Å; L13-F15 PolarHBondContact O-N 2.77Å; F15-Y18 PolarHBondContact O-N 3.31Å; F15-I19 HydrophobicContact CD1-CD1 3.53Å; F15-I19 HydrophobicContact CD1-CG1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.71Å; F15-I19 WeakPolarHBondContact O-CG1 3.15Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.15Å
16M57.8Low58Low138 Ų138123.3 Ų123.368%0.6863%0.632SS**Hα-helixtrans-74.7-26.8177-70.9-61.5-15100113.4I12 G20I12-M16 PolarHBondContact O-N 3.03Å; I12-M16 VanDerWaalsContact O-N 3.09Å; M16-G20 PolarHBondContact O-N 3.42Å
17E52.2Low57.3Low160 Ų160123 Ų12375%0.74865%0.65SS**Hα-helixtrans-76.4-29.5172.4-158166-163.800112L13L13-E17 PolarHBondContact O-N 2.91Å
18Y55.2Low56.2Low167 Ų167131.3 Ų131.366%0.65567%0.671SS**Hα-helixtrans-74.7-36.6175.7-168.8-103.4000113.5N14 F15N14-Y18 PolarHBondContact O-N 2.88Å; F15-Y18 PolarHBondContact O-N 3.31Å
19I54.3Low55.2Low98 Ų98134 Ų13450%0.50368%0.681SS.*Hα-helixtrans-78.5-20.4-179.7-63.3172.4000112.1F15 S21F15-I19 HydrophobicContact CD1-CD1 3.53Å; F15-I19 HydrophobicContact CD1-CG1 4.35Å; F15-I19 HydrophobicContact CE1-CD1 3.71Å; F15-I19 WeakPolarHBondContact O-CG1 3.15Å; F15-I19 PolarHBondContact O-N 3.41Å; F15-I19 VanDerWaalsContact O-N 3.15Å; I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 3.26Å
20G50.3Low53.8Low69 Ų69136.9 Ų136.971%0.71170%0.696SS**THydrogen-bonded Turntrans-68.6-15.5175.100000115.3M16M16-G20 PolarHBondContact O-N 3.42Å
21S50.8Low52.9Low105 Ų105141 Ų14173%0.73471%0.708SS**THydrogen-bonded Turntrans-95-3.4-177.5-169.60000114.8I19I19-S21 VanDerWaalsContact C-N 3.26Å; I19-S21 PolarHBondContact O-N 3.26Å
22Q54.9Low51.5Low138 Ų138147.8 Ų147.865%0.64573%0.727SS**SBendtrans-112.9-9-169.2-77.8-94.941.700116.2
23N48.8Very low50.4Low157 Ų157151.4 Ų151.484%0.8474%0.744SS**  trans-147.485.8178.3-79.4-51.4000115
24A41.4Very low49.7Very low97 Ų97153.6 Ų153.680%0.80275%0.752SS**  trans-135.375.114900000109.6
25S46.1Very low49.3Very low93 Ų93154.5 Ų154.565%0.6576%0.764SS**  trans32.4121.6138.544.10000121.5
26R50.8Low48.9Very low253 Ų253154.1 Ų154.196%0.95577%0.767SS**  74.8110.6126.8-68.1175.9175.4150.1-1117.9
27G48.5Very low48.3Very low80 Ų80152.7 Ų152.783%0.82577%0.766SS**  trans13951.6150.200000116.3
28R45.1Very low48.4Very low243 Ų243149.7 Ų149.792%0.91776%0.763SS**  trans-142.6114.7159-114.5174.4-170.9173.13109.6Q30R28-Q30 PolarHBondContact O-N 2.9Å
29R45.5Very low48.8Very low236 Ų236150 Ų15089%0.89177%0.771SS**  trans-45.5109.3162.1-75.1176.2-175.9165.30.4107.1R31R29-R31 PolarHBondContact O-N 2.89Å
30Q43Very low49.6Very low191 Ų191148 Ų14889%0.89377%0.773SS**  trans-61.991.1157.2-82.5179.3-30.800105.8R28 R32R28-Q30 PolarHBondContact O-N 2.9Å; Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.86Å
31R46.9Very low51.2Low213 Ų213146.3 Ų146.380%0.80475%0.75SS**  trans-62.7107.3151.3-79.3-172.1-179.5-178.71.1103.8R29 M33R29-R31 PolarHBondContact O-N 2.89Å; R31-M33 VanDerWaalsContact C-N 3.28Å; R31-M33 PolarHBondContact O-N 3.28Å
32R41.9Very low52.6Low241 Ų241149 Ų14991%0.90975%0.752SS**  trans-47.4103.9156.4-77.8-178.8-171.6166.62105.6Q30 H34Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.86Å; R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 3.39Å; R32-H34 VanDerWaalsContact O-N 3.11Å
33M44.6Very low53.9Low171 Ų171145.6 Ų145.684%0.84275%0.753SS**  trans-73.6104.2165.1-79.4-161.1166.800105.4R31R31-M33 VanDerWaalsContact C-N 3.28Å; R31-M33 PolarHBondContact O-N 3.28Å
34H47.7Very low55.8Low135 Ų135139.1 Ų139.163%0.62572%0.723SS**  trans-49.9136.3162.9-169.7-102.7000108.5R32 N36R32-H34 VanDerWaalsContact C-N 3.35Å; R32-H34 PolarHBondContact O-N 3.39Å; R32-H34 VanDerWaalsContact O-N 3.11Å; H34-N36 PolarHBondContact O-N 2.94Å
35P51.7Low58.3Low129 Ų129134.8 Ų134.884%0.83869%0.687SS**SBendtrans-75.432.7-17532.3-34.6000113
36N49.1Very low60.6Low122 Ų122132.9 Ų132.965%0.65268%0.677SS**  trans-157.760.4176.1-153.35.8000110.6H34H34-N36 PolarHBondContact O-N 2.94Å
37V44.9Very low62.6Low108 Ų108124.2 Ų124.266%0.65565%0.652SS**  trans-9697.4157.4-178.10000104.4Q39V37-Q39 PolarHBondContact O-N 3.46Å
38S55.2Low64.7Low97 Ų97123 Ų12368%0.67863%0.631SS**  trans-45.6114.6170.44.60000107.5G40S38-G40 PolarHBondContact O-N 2.87Å
39Q63.9Low66.9Low175 Ų175113 Ų11382%0.81860%0.598SS**  trans-61.197.5174.6-153.8130.8-14.500105.2V37V37-Q39 PolarHBondContact O-N 3.46Å
40G71.3Confident68.9Low54 Ų54109.8 Ų109.856%0.55760%0.598SS**PPolyproline II helixtrans-54.8150.7-169.800000110.8S38 Q42S38-G40 PolarHBondContact O-N 2.87Å; G40-Q42 PolarHBondContact O-N 2.89Å; G40-Q42 VanDerWaalsContact O-N 3.14Å
41C82.1Confident71Confident34 Ų34109.8 Ų109.823%0.2359%0.591CS.*PPolyproline II helixtrans-54.7122.6-177.9-55.20000111.2C45 C48C41-C45 HydrophobicContact CB-CB 3.69Å; C41-C48 WeakPolarHBondContact CA-SG 3.05Å; C41-C48 HydrophobicContact CB-CB 3.67Å; C41-C48 WeakPolarHBondContact CB-SG 3.29Å; C41-C48 WeakPolarHBondContact SG-CB 3.43Å; C41-C48 PolarHBondContact SG-N 3.11Å; C41-C48 CovalentContact SG-SG 2.03Å; C41-C48 PolarHBondContact SG-SG 3.16Å
42Q81.9Confident73.1Confident163 Ų163104 Ų10476%0.76258%0.577SS**SBendtrans-77.2162.8179.8-67.1-179.5-22.700110.9G40 C45G40-Q42 PolarHBondContact O-N 2.89Å; G40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-C45 WeakPolarHBondContact O-CB 3.38Å
43G81.3Confident75.5Confident65 Ų6593.6 Ų93.667%0.6754%0.544SS*.THydrogen-bonded Turntrans67.442.3167.500000115.8C45G43-C45 PolarHBondContact O-N 3.42Å
44G89.4Confident77.9Confident21 Ų2185.9 Ų85.922%0.21651%0.507CS..THydrogen-bonded Turntrans73.19.1174.300000114.9K58 L61G44-K58 VanDerWaalsContact O-CB 3.24Å; G44-K58 WeakPolarHBondContact O-CB 3.45Å; G44-K58 WeakPolarHBondContact O-CG 3.47Å; G44-K58 PolarHBondContact O-N 2.94Å; G44-L61 VanDerWaalsContact O-CD1 3.29Å; G44-L61 WeakPolarHBondContact O-CD1 3.47Å
45C94.1Very high80Confident6 Ų683.7 Ų83.74%0.04150%0.5CS..EExtended strand (participates in β ladder)trans-78.9140.9175.4-173.10000111.7C41 Q42 G43 T47 C54 K58C41-C45 HydrophobicContact CB-CB 3.69Å; Q42-C45 WeakPolarHBondContact O-CB 3.38Å; G43-C45 PolarHBondContact O-N 3.42Å; C45-T47 VanDerWaalsContact SG-C 3.52Å; C45-T47 PolarHBondContact SG-O 3.1Å; C45-C54 VanDerWaalsContact CA-SG 3.54Å; C45-C54 HydrophobicContact CB-CB 3.82Å; C45-C54 WeakPolarHBondContact CB-SG 3.33Å; C45-C54 WeakPolarHBondContact SG-CA 3.26Å; C45-C54 WeakPolarHBondContact SG-CB 3.4Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 3.47Å; C45-K58 WeakPolarHBondContact O-CE 3.09Å
46A92.8Very high82Confident53 Ų5379.4 Ų79.444%0.43847%0.473SS..EExtended strand (participates in β ladder)trans-93.4-44.7177.300000111.7S56 K58A46-S56 WeakPolarHBondContact CB-O 2.96Å; A46-S56 PolarHBondContact N-O 3.38Å; A46-K58 HydrophobicContact CB-CG 4.2Å
47T92.9Very high84.1Confident71 Ų7174.7 Ų74.744%0.43645%0.449SS..EExtended strand (participates in β ladder)trans-132.2136.6171.860.60000110.2C45 L55 S56C45-T47 VanDerWaalsContact SG-C 3.52Å; C45-T47 PolarHBondContact SG-O 3.1Å; T47-L55 WeakPolarHBondContact O-CA 3.2Å; T47-L55 WeakPolarHBondContact O-CB 3.4Å; T47-L55 PolarHBondContact O-N 2.92Å; T47-S56 PolarHBondContact N-O 2.68Å; T47-S56 PolarHBondContact N-OG 2.92Å; T47-S56 PolarHBondContact O-N 2.86Å; T47-S56 VanDerWaalsContact O-N 3.15Å; T47-S56 WeakPolarHBondContact OG1-CB 3.5Å; T47-S56 PolarHBondContact OG1-N 2.93Å; T47-S56 PolarHBondContact OG1-OG 2.01Å
48C93.4Very high86.4Confident56 Ų5674.7 Ų74.738%0.37844%0.44SS..EExtended strand (participates in β ladder)trans-140.3163.7-173.857.10000111C41 G53C41-C48 WeakPolarHBondContact CA-SG 3.05Å; C41-C48 HydrophobicContact CB-CB 3.67Å; C41-C48 WeakPolarHBondContact CB-SG 3.29Å; C41-C48 WeakPolarHBondContact SG-CB 3.43Å; C41-C48 PolarHBondContact SG-N 3.11Å; C41-C48 CovalentContact SG-SG 2.03Å; C41-C48 PolarHBondContact SG-SG 3.16Å; C48-G53 CarbonylContact C-O 3.56Å; C48-G53 VanDerWaalsContact CA-O 3.3Å; C48-G53 WeakPolarHBondContact CA-O 3.5Å
49S91.6Very high88.1Confident33 Ų3375.6 Ų75.623%0.23144%0.444CS..EExtended strand (participates in β ladder)trans-138.1152.2173.164.20000109.3Y51 N52 G53S49-Y51 PolarHBondContact O-N 3.32Å; S49-N52 WeakPolarHBondContact OG-CB 3.36Å; S49-N52 PolarHBondContact OG-N 3.25Å; S49-G53 PolarHBondContact N-O 3.47Å; S49-G53 WeakPolarHBondContact O-CA 3.23Å; S49-G53 PolarHBondContact O-N 3.37Å; S49-G53 VanDerWaalsContact O-O 3.13Å
50D87.1Confident89.4Confident167 Ų16777.2 Ų77.289%0.89344%0.442SS*.THydrogen-bonded Turntrans-64.5-28.5-176.9-58.7-37.4000112.9
51Y88.1Confident90.5Very high191 Ų19176.4 Ų76.475%0.74943%0.425SS*.THydrogen-bonded Turntrans-94.3-42.8-175.5-65.2-79.6000114.1S49S49-Y51 PolarHBondContact O-N 3.32Å
52N91.3Very high91.2Very high93 Ų9375.8 Ų75.850%0.49742%0.418SS..THydrogen-bonded Turntrans-96.61.2-175.8-54.7-49.3000112.3S49 L55 I73 G74S49-N52 WeakPolarHBondContact OG-CB 3.36Å; S49-N52 PolarHBondContact OG-N 3.25Å; N52-L55 HydrophobicContact CB-CD2 4.01Å; N52-I73 CarbonylContact O-C 3.52Å; N52-I73 WeakPolarHBondContact O-CA 3.48Å; N52-G74 PolarHBondContact O-N 3.29Å
53G92.1Very high91.9Very high22 Ų2269.2 Ų69.223%0.22739%0.387CS..EExtended strand (participates in β ladder)trans66.8-135.7-173.600000111.3C48 S49C48-G53 CarbonylContact C-O 3.56Å; C48-G53 VanDerWaalsContact CA-O 3.3Å; C48-G53 WeakPolarHBondContact CA-O 3.5Å; S49-G53 PolarHBondContact N-O 3.47Å; S49-G53 WeakPolarHBondContact O-CA 3.23Å; S49-G53 PolarHBondContact O-N 3.37Å; S49-G53 VanDerWaalsContact O-O 3.13Å
54C93.6Very high92.5Very high9 Ų966.8 Ų66.86%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-72.4138.4178.5-165.70000112.3C45 S56 F63 G74 C76C45-C54 VanDerWaalsContact CA-SG 3.54Å; C45-C54 HydrophobicContact CB-CB 3.82Å; C45-C54 WeakPolarHBondContact CB-SG 3.33Å; C45-C54 WeakPolarHBondContact SG-CA 3.26Å; C45-C54 WeakPolarHBondContact SG-CB 3.4Å; C45-C54 CovalentContact SG-SG 2.03Å; C45-C54 PolarHBondContact SG-SG 3.47Å; C54-S56 VanDerWaalsContact SG-C 3.6Å; C54-S56 PolarHBondContact SG-O 3.11Å; C54-F63 VanDerWaalsContact O-CE2 3.3Å; C54-F63 WeakPolarHBondContact O-CE2 3.26Å; C54-G74 WeakPolarHBondContact CA-O 3.38Å; C54-G74 VanDerWaalsContact CB-O 3.24Å; C54-G74 WeakPolarHBondContact CB-O 3.49Å; C54-G74 PolarHBondContact N-O 2.96Å; C54-G74 WeakPolarHBondContact O-CA 3.3Å; C54-C76 PolarHBondContact SG-SG 3.35Å
55L92.3Very high92.7Very high89 Ų8969.8 Ų69.847%0.46637%0.37SS..EExtended strand (participates in β ladder)trans-105.1-35.9176.3-56.7177.7000111.7T47 N52T47-L55 WeakPolarHBondContact O-CA 3.2Å; T47-L55 WeakPolarHBondContact O-CB 3.4Å; T47-L55 PolarHBondContact O-N 2.92Å; N52-L55 HydrophobicContact CB-CD2 4.01Å
56S92.9Very high92.6Very high39 Ų3974.3 Ų74.327%0.27339%0.391SS..EExtended strand (participates in β ladder)trans-140.5137.6174.568.70000111.5A46 T47 C54A46-S56 WeakPolarHBondContact CB-O 2.96Å; A46-S56 PolarHBondContact N-O 3.38Å; T47-S56 PolarHBondContact N-O 2.68Å; T47-S56 PolarHBondContact N-OG 2.92Å; T47-S56 PolarHBondContact O-N 2.86Å; T47-S56 VanDerWaalsContact O-N 3.15Å; T47-S56 WeakPolarHBondContact OG1-CB 3.5Å; T47-S56 PolarHBondContact OG1-N 2.93Å; T47-S56 PolarHBondContact OG1-OG 2.01Å; C54-S56 VanDerWaalsContact SG-C 3.6Å; C54-S56 PolarHBondContact SG-O 3.11Å
57C94.3Very high92.6Very high23 Ų2379.8 Ų79.816%0.15540%0.4CS..EExtended strand (participates in β ladder)trans-89150.4179.4-64.20000111.9L61 C76C57-L61 HydrophobicContact CB-CB 4.07Å; C57-C76 WeakPolarHBondContact CA-SG 3.27Å; C57-C76 HydrophobicContact CB-CB 3.89Å; C57-C76 WeakPolarHBondContact CB-SG 3.39Å; C57-C76 VanDerWaalsContact SG-CA 3.53Å; C57-C76 WeakPolarHBondContact SG-CB 3.49Å; C57-C76 CovalentContact SG-SG 2.03Å; C57-C76 PolarHBondContact SG-SG 2.76Å
58K92.7Very high92.4Very high107 Ų10781.1 Ų81.147%0.46540%0.403SS..PPolyproline II helixtrans-60.1156165.7-70.4176.6-172-179.80110.5G44 C45 A46 L61G44-K58 VanDerWaalsContact O-CB 3.24Å; G44-K58 WeakPolarHBondContact O-CB 3.45Å; G44-K58 WeakPolarHBondContact O-CG 3.47Å; G44-K58 PolarHBondContact O-N 2.94Å; C45-K58 WeakPolarHBondContact O-CE 3.09Å; A46-K58 HydrophobicContact CB-CG 4.2Å; K58-L61 HydrophobicContact CB-CD1 4.34Å; K58-L61 PolarHBondContact O-N 3.01Å
59P91.3Very high92.2Very high116 Ų11681.5 Ų81.575%0.75342%0.417SS*.THydrogen-bonded Turntrans-51.6147.3177.7-26.334.3000112.2L61P59-L61 PolarHBondContact O-N 3.39Å
60R91.2Very high92.1Very high209 Ų20988.9 Ų88.979%0.78945%0.45SS*.THydrogen-bonded Turntrans74.3-14.2-177.5-50.3178.7174.6157.4-1.2116.8
61L95.1Very high92.1Very high38 Ų3887.9 Ų87.920%0.19944%0.438CS..PPolyproline II helixtrans-87.2155.3174-59.7177.5000111.1G44 C57 K58 P59 C76 L77 N93G44-L61 VanDerWaalsContact O-CD1 3.29Å; G44-L61 WeakPolarHBondContact O-CD1 3.47Å; C57-L61 HydrophobicContact CB-CB 4.07Å; K58-L61 HydrophobicContact CB-CD1 4.34Å; K58-L61 PolarHBondContact O-N 3.01Å; P59-L61 PolarHBondContact O-N 3.39Å; L61-C76 HydrophobicContact CB-CB 4.22Å; L61-C76 HydrophobicContact CD1-CB 4.02Å; L61-L77 WeakPolarHBondContact CA-O 3.27Å; L61-N93 WeakPolarHBondContact O-CB 3.34Å; L61-N93 PolarHBondContact O-ND2 3.14Å
62F96.4Very high92.3Very high20 Ų2083.4 Ų83.49%0.08842%0.424CS..EExtended strand (participates in β ladder)trans-104129.6177.1-65.1-91.4000110.8C76 L77 R88 N93 C95F62-C76 WeakPolarHBondContact O-CA 3.49Å; F62-L77 PolarHBondContact N-O 3.19Å; F62-L77 PolarHBondContact O-N 2.64Å; F62-R88 HydrophobicContact CE1-CG 4.37Å; F62-N93 CarbonylContact C-O 3.55Å; F62-N93 WeakPolarHBondContact CA-O 3.47Å; F62-N93 HydrophobicContact CD1-CB 3.51Å; F62-N93 HydrophobicContact CE1-CB 3.71Å; F62-N93 HydrophobicContact CG-CB 4.12Å; F62-N93 HydrophobicContact CZ-CB 4.46Å; F62-C95 VanDerWaalsContact CB-SG 3.54Å
63F95.2Very high92.4Very high25 Ų2580.9 Ų80.911%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-77.1129172.5-173.1-93.3000110.5C54 L65 I92 N93 K94 C95C54-F63 VanDerWaalsContact O-CE2 3.3Å; C54-F63 WeakPolarHBondContact O-CE2 3.26Å; F63-L65 HydrophobicContact CE1-CD2 3.7Å; F63-L65 HydrophobicContact CE1-CG 3.78Å; F63-L65 HydrophobicContact CZ-CD2 3.84Å; F63-L65 HydrophobicContact CZ-CG 4.42Å; F63-I92 HydrophobicContact CB-CD1 3.74Å; F63-I92 HydrophobicContact CB-CG1 4.13Å; F63-I92 HydrophobicContact CD1-CD1 4.46Å; F63-I92 HydrophobicContact CD2-CD1 4.34Å; F63-I92 HydrophobicContact CG-CD1 3.95Å; F63-N93 PolarHBondContact N-O 3.5Å; F63-K94 WeakPolarHBondContact O-CA 3.48Å; F63-K94 WeakPolarHBondContact O-CG 3.27Å; F63-C95 PolarHBondContact O-N 3.4Å
64V95.1Very high92.5Very high15 Ų1580.1 Ų80.19%0.09140%0.402CS..EExtended strand (participates in β ladder)trans-130.8141.9173.666.20000109.6G74 V75 L77 P81 C95V64-G74 WeakPolarHBondContact O-CA 3.24Å; V64-V75 HydrophobicContact CG1-CB 3.92Å; V64-V75 WeakPolarHBondContact CG1-O 3.49Å; V64-V75 PolarHBondContact N-O 2.97Å; V64-V75 PolarHBondContact O-N 2.97Å; V64-L77 HydrophobicContact CG1-CD1 3.7Å; V64-L77 HydrophobicContact CG1-CG 3.96Å; V64-P81 HydrophobicContact CG2-CG 4.5Å; V64-C95 HydrophobicContact CB-CB 4.36Å; V64-C95 HydrophobicContact CG2-CB 4.39Å
65L93.3Very high92.5Very high84 Ų8481.5 Ų81.544%0.4441%0.41SS..EExtended strand (participates in β ladder)trans-96.2113.3171-70.8170.8000108.6F63 I73F63-L65 HydrophobicContact CE1-CD2 3.7Å; F63-L65 HydrophobicContact CE1-CG 3.78Å; F63-L65 HydrophobicContact CZ-CD2 3.84Å; F63-L65 HydrophobicContact CZ-CG 4.42Å; L65-I73 WeakPolarHBondContact CA-O 3.26Å
66E92.6Very high92.6Very high100 Ų10078 Ų7847%0.46739%0.392SS..EExtended strand (participates in β ladder)trans-96.6130.6176.9-169.7168.1-174.600109.7I68 Q72 I73 V75E66-I68 HydrophobicContact CG-CG1 4.38Å; E66-Q72 WeakPolarHBondContact O-CA 3.49Å; E66-I73 HydrophobicContact CB-CG1 4.19Å; E66-I73 PolarHBondContact N-O 2.89Å; E66-I73 PolarHBondContact O-N 3.39Å; E66-V75 HydrophobicContact CB-CG2 4.29Å
67R92.3Very high92.7Very high168 Ų16879 Ų7963%0.63439%0.394SS*.EExtended strand (participates in β ladder)trans-96.9116.4179.2178.3-176.6-84.2-100.45.4109.3G69 K71R67-G69 WeakPolarHBondContact CG-O 3.41Å; R67-K71 CarbonylContact C-O 3.6Å; R67-K71 WeakPolarHBondContact CA-O 3.49Å
68I88.4Confident92.8Very high99 Ų9982.3 Ų82.351%0.50842%0.418SS..EExtended strand (participates in β ladder)trans-116.498.2175.5-54.8175.9000107.6E66 M70 K71 I73E66-I68 HydrophobicContact CG-CG1 4.38Å; I68-M70 PolarHBondContact O-N 2.93Å; I68-K71 PolarHBondContact N-O 3.04Å; I68-K71 PolarHBondContact O-N 3.12Å; I68-I73 HydrophobicContact CD1-CD1 3.57Å; I68-I73 HydrophobicContact CD1-CG1 4.13Å
69G89.2Confident92.9Very high64 Ų6481.3 Ų81.366%0.6642%0.424SS*.THydrogen-bonded Turntrans61.6-115.9-170.800000111.6R67R67-G69 WeakPolarHBondContact CG-O 3.41Å
70M88.8Confident93.1Very high189 Ų18977.2 Ų77.293%0.93140%0.398SS*.THydrogen-bonded Turntrans-91.5-10.9176.4-60.8-177-175.700113.4I68I68-M70 PolarHBondContact O-N 2.93Å
71K88.9Confident93.2Very high145 Ų14569.6 Ų69.663%0.6338%0.376SS*.EExtended strand (participates in β ladder)trans-86.5144.3-178.8-63.1-176.1178.9-177.40110.6R67 I68R67-K71 CarbonylContact C-O 3.6Å; R67-K71 WeakPolarHBondContact CA-O 3.49Å; I68-K71 PolarHBondContact N-O 3.04Å; I68-K71 PolarHBondContact O-N 3.12Å
72Q92.3Very high93.1Very high97 Ų9773.2 Ų73.245%0.45340%0.404SS..EExtended strand (participates in β ladder)trans-115.6122.8165.8-70.1-175.31700108.2E66E66-Q72 WeakPolarHBondContact O-CA 3.49Å
73I93.2Very high93Very high41 Ų4173.1 Ų73.121%0.2141%0.409CS..EExtended strand (participates in β ladder)trans-117.7140.7178.461164.2000109.9N52 L65 E66 I68 V75N52-I73 CarbonylContact O-C 3.52Å; N52-I73 WeakPolarHBondContact O-CA 3.48Å; L65-I73 WeakPolarHBondContact CA-O 3.26Å; E66-I73 HydrophobicContact CB-CG1 4.19Å; E66-I73 PolarHBondContact N-O 2.89Å; E66-I73 PolarHBondContact O-N 3.39Å; I68-I73 HydrophobicContact CD1-CD1 3.57Å; I68-I73 HydrophobicContact CD1-CG1 4.13Å; I73-V75 HydrophobicContact CD1-CG2 4.15Å; I73-V75 HydrophobicContact CG1-CG2 4.25Å
74G93.1Very high93Very high5 Ų576 Ų765%0.05242%0.42CS..EExtended strand (participates in β ladder)trans-80.9133172.200000110.9N52 C54 V64N52-G74 PolarHBondContact O-N 3.29Å; C54-G74 WeakPolarHBondContact CA-O 3.38Å; C54-G74 VanDerWaalsContact CB-O 3.24Å; C54-G74 WeakPolarHBondContact CB-O 3.49Å; C54-G74 PolarHBondContact N-O 2.96Å; C54-G74 WeakPolarHBondContact O-CA 3.3Å; V64-G74 WeakPolarHBondContact O-CA 3.24Å
75V93.9Very high93.1Very high39 Ų3976.7 Ų76.724%0.23642%0.421CS..EExtended strand (participates in β ladder)trans-131.4147.1178.4-176.80000108.6V64 E66 I73 L77V64-V75 HydrophobicContact CG1-CB 3.92Å; V64-V75 WeakPolarHBondContact CG1-O 3.49Å; V64-V75 PolarHBondContact N-O 2.97Å; V64-V75 PolarHBondContact O-N 2.97Å; E66-V75 HydrophobicContact CB-CG2 4.29Å; I73-V75 HydrophobicContact CD1-CG2 4.15Å; I73-V75 HydrophobicContact CG1-CG2 4.25Å; V75-L77 HydrophobicContact CG1-CD2 4.02Å; V75-L77 HydrophobicContact CG1-CG 4.39Å
76C95.1Very high93.2Very high14 Ų1474.5 Ų74.510%0.09542%0.418CS..EExtended strand (participates in β ladder)trans-108.4122.1176.9-61.70000110.3C54 C57 L61 F62C54-C76 PolarHBondContact SG-SG 3.35Å; C57-C76 WeakPolarHBondContact CA-SG 3.27Å; C57-C76 HydrophobicContact CB-CB 3.89Å; C57-C76 WeakPolarHBondContact CB-SG 3.39Å; C57-C76 VanDerWaalsContact SG-CA 3.53Å; C57-C76 WeakPolarHBondContact SG-CB 3.49Å; C57-C76 CovalentContact SG-SG 2.03Å; C57-C76 PolarHBondContact SG-SG 2.76Å; L61-C76 HydrophobicContact CB-CB 4.22Å; L61-C76 HydrophobicContact CD1-CB 4.02Å; F62-C76 WeakPolarHBondContact O-CA 3.49Å
77L95.2Very high93.3Very high60 Ų6071 Ų7131%0.31440%0.404SS..EExtended strand (participates in β ladder)trans-119150.5-179.2-59.8178.8000111.3L61 F62 V64 V75 S79L61-L77 WeakPolarHBondContact CA-O 3.27Å; F62-L77 PolarHBondContact N-O 3.19Å; F62-L77 PolarHBondContact O-N 2.64Å; V64-L77 HydrophobicContact CG1-CD1 3.7Å; V64-L77 HydrophobicContact CG1-CG 3.96Å; V75-L77 HydrophobicContact CG1-CD2 4.02Å; V75-L77 HydrophobicContact CG1-CG 4.39Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 WeakPolarHBondContact CB-O 2.98Å
78S94.7Very high93.4Very high94 Ų9471 Ų7166%0.65740%0.404SS*.SBendtrans-73.6-22.8172.654.50000112.6
79S94.7Very high93.4Very high85 Ų8572 Ų7259%0.59440%0.402SS*.SBendtrans-148.8147.8177.9-67.50000109.9L77L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 WeakPolarHBondContact CB-O 2.98Å
80C95.6Very high93.4Very high30 Ų3075.1 Ų75.120%0.20341%0.411CS..PPolyproline II helixtrans-71.2146-179.1-67.70000111.8G86 C95C80-G86 VanDerWaalsContact SG-CA 3.54Å; C80-C95 WeakPolarHBondContact CA-SG 3.34Å; C80-C95 HydrophobicContact CB-CB 3.81Å; C80-C95 WeakPolarHBondContact CB-SG 3.28Å; C80-C95 WeakPolarHBondContact SG-CA 3.28Å; C80-C95 WeakPolarHBondContact SG-CB 3.4Å; C80-C95 CovalentContact SG-SG 2.04Å; C80-C95 PolarHBondContact SG-SG 3.47Å
81P94.8Very high93.3Very high50 Ų5073.6 Ų73.633%0.32541%0.407SS..PPolyproline II helixtrans-68165.4177.329.8-35.4000111.6V64 G83 Y84V64-P81 HydrophobicContact CG2-CG 4.5Å; P81-G83 PolarHBondContact O-N 3.12Å; P81-Y84 HydrophobicContact CG-CD2 3.98Å; P81-Y84 HydrophobicContact CG-CG 4.29Å; P81-Y84 WeakPolarHBondContact O-CB 3.47Å; P81-Y84 PolarHBondContact O-N 3.41Å
82S93Very high93.4Very high113 Ų11369.7 Ų69.779%0.7939%0.392SS*.THydrogen-bonded Turntrans-52.7137.4177.1-56.40000112Y84S82-Y84 VanDerWaalsContact C-N 3.31Å
83G93.9Very high93.5Very high18 Ų1866.2 Ų66.219%0.18638%0.376CS..THydrogen-bonded Turntrans80.45.9-174.200000114.9P81 C98 D103P81-G83 PolarHBondContact O-N 3.12Å; G83-C98 VanDerWaalsContact C-SG 3.53Å; G83-C98 WeakPolarHBondContact O-CB 2.82Å; G83-C98 PolarHBondContact O-N 3.29Å; G83-C98 PolarHBondContact O-SG 3.32Å; G83-D103 WeakPolarHBondContact CA-O 3.49Å
84Y95.8Very high93.6Very high87 Ų8768.3 Ų68.334%0.34138%0.384SS..EExtended strand (participates in β ladder)trans-129.2147.2174.4-67.1-107.8000111.2P81 S82 C95 T96 K97P81-Y84 HydrophobicContact CG-CD2 3.98Å; P81-Y84 HydrophobicContact CG-CG 4.29Å; P81-Y84 WeakPolarHBondContact O-CB 3.47Å; P81-Y84 PolarHBondContact O-N 3.41Å; S82-Y84 VanDerWaalsContact C-N 3.31Å; Y84-C95 HydrophobicContact CD1-CB 4.15Å; Y84-C95 HydrophobicContact CG-CB 4.46Å; Y84-T96 CarbonylContact C-O 3.56Å; Y84-T96 WeakPolarHBondContact CA-O 3.47Å; Y84-T96 VanDerWaalsContact CD1-C 3.47Å; Y84-K97 HydrophobicContact CD1-CB 3.99Å; Y84-K97 HydrophobicContact CE1-CB 3.67Å; Y84-K97 HydrophobicContact CE1-CG 4.13Å; Y84-K97 HydrophobicContact CE2-CG 4.29Å
85Y96.3Very high93.7Very high29 Ų2968.4 Ų68.411%0.11438%0.384CS..EExtended strand (participates in β ladder)trans-116.5149.8171.370.4-80.6000110.5T87 T96 C105 N107 K108Y85-T87 WeakPolarHBondContact CE2-OG1 3.5Å; Y85-T96 WeakPolarHBondContact CD1-O 3.36Å; Y85-T96 HydrophobicContact CE1-CG2 3.76Å; Y85-T96 PolarHBondContact N-O 3.2Å; Y85-T96 PolarHBondContact O-N 3.49Å; Y85-T96 WeakPolarHBondContact OH-CG2 3.37Å; Y85-C105 WeakPolarHBondContact CD1-SG 3.47Å; Y85-N107 HydrophobicContact CD2-CB 4.45Å; Y85-K108 WeakPolarHBondContact OH-CB 3.39Å
86G95.9Very high93.8Very high37 Ų3768.3 Ų68.338%0.38138%0.383SS..EExtended strand (participates in β ladder)trans-77.3126.7178.600000111.7C80C80-G86 VanDerWaalsContact SG-CA 3.54Å
87T95Very high93.8Very high28 Ų2874.4 Ų74.417%0.17241%0.408CS..EExtended strand (participates in β ladder)trans-112.6129.5169.7-510000109.4Y85 Y89 N93 K94 T96Y85-T87 WeakPolarHBondContact CE2-OG1 3.5Å; T87-Y89 HydrophobicContact CG2-CD2 4.12Å; T87-Y89 HydrophobicContact CG2-CE1 4Å; T87-Y89 HydrophobicContact CG2-CE2 3.52Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.46Å; T87-N93 CarbonylContact O-C 3.53Å; T87-N93 VanDerWaalsContact O-CA 3.28Å; T87-N93 WeakPolarHBondContact O-CA 3.29Å; T87-K94 PolarHBondContact N-O 3.43Å; T87-K94 PolarHBondContact O-N 3.44Å; T87-T96 PolarHBondContact OG1-OG1 3.04Å; T87-T96 VanDerWaalsContact OG1-OG1 3.11Å
88R92.9Very high93.8Very high168 Ų16872.2 Ų72.263%0.63440%0.398SS*.EExtended strand (participates in β ladder)trans-101.7103.7178.9-59-176.3177.6-105.40.1108.8F62 N93F62-R88 HydrophobicContact CE1-CG 4.37Å; R88-N93 WeakPolarHBondContact CA-OD1 3.35Å; R88-N93 WeakPolarHBondContact CB-OD1 3.31Å; R88-N93 VanDerWaalsContact CG-OD1 3.29Å; R88-N93 WeakPolarHBondContact CG-OD1 3.39Å
89Y90.2Very high93.8Very high119 Ų11972.5 Ų72.547%0.46739%0.387SS..  trans-89.4162.6170.5-58.9-83.8000109.4T87 D91 I92 K94T87-Y89 HydrophobicContact CG2-CD2 4.12Å; T87-Y89 HydrophobicContact CG2-CE1 4Å; T87-Y89 HydrophobicContact CG2-CE2 3.52Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.46Å; Y89-D91 PolarHBondContact O-N 3.4Å; Y89-I92 WeakPolarHBondContact CA-O 3.32Å; Y89-I92 WeakPolarHBondContact CB-O 3.06Å; Y89-I92 HydrophobicContact CD2-CG2 4.44Å; Y89-I92 WeakPolarHBondContact CD2-O 3.18Å; Y89-I92 PolarHBondContact N-O 3.08Å; Y89-K94 HydrophobicContact CE2-CB 4.33Å
90P89.3Confident93.8Very high129 Ų12972.5 Ų72.584%0.83839%0.392SS*.SBendtrans-52-37.9177.3-28.436.6000113.2
91D85.8Confident93.8Very high158 Ų15873 Ų7385%0.84539%0.393SS*.SBendtrans-103.2-22.3-172.1-50-52.9000113.9Y89Y89-D91 PolarHBondContact O-N 3.4Å
92I90.1Very high93.8Very high62 Ų6271 Ų7132%0.31838%0.38SS..  trans-155.4139.9-175.1-167.6167000111.9F63 Y89F63-I92 HydrophobicContact CB-CD1 3.74Å; F63-I92 HydrophobicContact CB-CG1 4.13Å; F63-I92 HydrophobicContact CD1-CD1 4.46Å; F63-I92 HydrophobicContact CD2-CD1 4.34Å; F63-I92 HydrophobicContact CG-CD1 3.95Å; Y89-I92 WeakPolarHBondContact CA-O 3.32Å; Y89-I92 WeakPolarHBondContact CB-O 3.06Å; Y89-I92 HydrophobicContact CD2-CG2 4.44Å; Y89-I92 WeakPolarHBondContact CD2-O 3.18Å; Y89-I92 PolarHBondContact N-O 3.08Å
93N94.9Very high94Very high24 Ų2468.3 Ų68.313%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-91.6129.9165-42.2-65.2000108.3L61 F62 F63 T87 R88L61-N93 WeakPolarHBondContact O-CB 3.34Å; L61-N93 PolarHBondContact O-ND2 3.14Å; F62-N93 CarbonylContact C-O 3.55Å; F62-N93 WeakPolarHBondContact CA-O 3.47Å; F62-N93 HydrophobicContact CD1-CB 3.51Å; F62-N93 HydrophobicContact CE1-CB 3.71Å; F62-N93 HydrophobicContact CG-CB 4.12Å; F62-N93 HydrophobicContact CZ-CB 4.46Å; F63-N93 PolarHBondContact N-O 3.5Å; T87-N93 CarbonylContact O-C 3.53Å; T87-N93 VanDerWaalsContact O-CA 3.28Å; T87-N93 WeakPolarHBondContact O-CA 3.29Å; R88-N93 WeakPolarHBondContact CA-OD1 3.35Å; R88-N93 WeakPolarHBondContact CB-OD1 3.31Å; R88-N93 VanDerWaalsContact CG-OD1 3.29Å; R88-N93 WeakPolarHBondContact CG-OD1 3.39Å
94K95.1Very high94Very high85 Ų8569.9 Ų69.937%0.3736%0.363SS..EExtended strand (participates in β ladder)trans-129.9146.9-177.5-175.6179.1177.6179.70110.7F63 T87 Y89F63-K94 WeakPolarHBondContact O-CA 3.48Å; F63-K94 WeakPolarHBondContact O-CG 3.27Å; T87-K94 PolarHBondContact N-O 3.43Å; T87-K94 PolarHBondContact O-N 3.44Å; Y89-K94 HydrophobicContact CE2-CB 4.33Å
95C95.9Very high94.1Very high7 Ų766.5 Ų66.55%0.04735%0.352CS..EExtended strand (participates in β ladder)trans-81.3120.9168.7-64.30000110.7F62 F63 V64 C80 Y84F62-C95 VanDerWaalsContact CB-SG 3.54Å; F63-C95 PolarHBondContact O-N 3.4Å; V64-C95 HydrophobicContact CB-CB 4.36Å; V64-C95 HydrophobicContact CG2-CB 4.39Å; C80-C95 WeakPolarHBondContact CA-SG 3.34Å; C80-C95 HydrophobicContact CB-CB 3.81Å; C80-C95 WeakPolarHBondContact CB-SG 3.28Å; C80-C95 WeakPolarHBondContact SG-CA 3.28Å; C80-C95 WeakPolarHBondContact SG-CB 3.4Å; C80-C95 CovalentContact SG-SG 2.04Å; C80-C95 PolarHBondContact SG-SG 3.47Å; Y84-C95 HydrophobicContact CD1-CB 4.15Å; Y84-C95 HydrophobicContact CG-CB 4.46Å
96T95.1Very high94Very high37 Ų3772.4 Ų72.423%0.22738%0.378CS..EExtended strand (participates in β ladder)trans-108.1135.7179-55.30000109.3Y84 Y85 T87Y84-T96 CarbonylContact C-O 3.56Å; Y84-T96 WeakPolarHBondContact CA-O 3.47Å; Y84-T96 VanDerWaalsContact CD1-C 3.47Å; Y85-T96 WeakPolarHBondContact CD1-O 3.36Å; Y85-T96 HydrophobicContact CE1-CG2 3.76Å; Y85-T96 PolarHBondContact N-O 3.2Å; Y85-T96 PolarHBondContact O-N 3.49Å; Y85-T96 WeakPolarHBondContact OH-CG2 3.37Å; T87-T96 PolarHBondContact OG1-OG1 3.04Å; T87-T96 VanDerWaalsContact OG1-OG1 3.11Å
97K95Very high94Very high143 Ų14373.5 Ų73.562%0.62238%0.376SS*.EExtended strand (participates in β ladder)trans-67.6140.9-177.7-163.7176.2-179.3175.60110.9Y84Y84-K97 HydrophobicContact CD1-CB 3.99Å; Y84-K97 HydrophobicContact CE1-CB 3.67Å; Y84-K97 HydrophobicContact CE1-CG 4.13Å; Y84-K97 HydrophobicContact CE2-CG 4.29Å
98C96.4Very high93.8Very high14 Ų1478.8 Ų78.810%0.09540%0.396CS..PPolyproline II helixtrans-63.3164.6169.7-62.70000111.4G83 C102 C105G83-C98 VanDerWaalsContact C-SG 3.53Å; G83-C98 WeakPolarHBondContact O-CB 2.82Å; G83-C98 PolarHBondContact O-N 3.29Å; G83-C98 PolarHBondContact O-SG 3.32Å; C98-C102 HydrophobicContact CB-CB 4.37Å; C98-C105 WeakPolarHBondContact CA-SG 3.39Å; C98-C105 HydrophobicContact CB-CB 3.92Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 WeakPolarHBondContact SG-CB 3.47Å; C98-C105 PolarHBondContact SG-N 3.23Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 3.28Å
99K95.2Very high93.8Very high99 Ų9976 Ų7643%0.4339%0.394SS..PPolyproline II helixtrans-63.4161173.9-68.1179.1172.9169.40111.8D101 C102 K108K99-D101 VanDerWaalsContact C-N 3.26Å; K99-D101 WeakPolarHBondContact CB-OD1 3.5Å; K99-D101 PolarHBondContact O-N 3.41Å; K99-C102 HydrophobicContact CB-CB 4.47Å; K99-C102 PolarHBondContact O-N 3.49Å; K99-C102 VanDerWaalsContact O-N 3.14Å; K99-K108 WeakPolarHBondContact CE-O 3.29Å
100A93.9Very high94.1Very high86 Ų8674.9 Ų74.971%0.71139%0.392SS*.THydrogen-bonded Turntrans-64.8-27.4-172.100000114.2K115A100-K115 WeakPolarHBondContact O-CD 3.36Å; A100-K115 WeakPolarHBondContact O-CE 3.45Å; A100-K115 PolarHBondContact O-NZ 3.47Å
101D95.2Very high94.5Very high40 Ų4069.1 Ų69.121%0.21435%0.354CS..THydrogen-bonded Turntrans-87-9.3178.855.2-28.7000113.5K99 K115 F118 C125K99-D101 VanDerWaalsContact C-N 3.26Å; K99-D101 WeakPolarHBondContact CB-OD1 3.5Å; K99-D101 PolarHBondContact O-N 3.41Å; D101-K115 PolarHBondContact O-N 3.47Å; D101-F118 HydrophobicContact CB-CD1 3.98Å; D101-F118 HydrophobicContact CB-CD2 4.49Å; D101-F118 HydrophobicContact CB-CE1 3.85Å; D101-F118 HydrophobicContact CB-CE2 4.38Å; D101-F118 HydrophobicContact CB-CG 4.31Å; D101-F118 HydrophobicContact CB-CZ 4.08Å; D101-C125 HydrophobicContact CB-CB 3.91Å; D101-C125 PolarHBondContact O-SG 3.04Å; D101-C125 WeakPolarHBondContact OD2-CB 3.2Å
102C96.3Very high94.9Very high7 Ų765 Ų655%0.04734%0.335CS..EExtended strand (participates in β ladder)trans-111.6133.6-172.7-175.70000112.2C98 K99 T104 C111 K115C98-C102 HydrophobicContact CB-CB 4.37Å; K99-C102 HydrophobicContact CB-CB 4.47Å; K99-C102 PolarHBondContact O-N 3.49Å; K99-C102 VanDerWaalsContact O-N 3.14Å; C102-T104 PolarHBondContact SG-O 3.05Å; C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 3.94Å; C102-C111 WeakPolarHBondContact CB-SG 3.34Å; C102-C111 VanDerWaalsContact SG-CA 3.56Å; C102-C111 WeakPolarHBondContact SG-CB 3.3Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.01Å; C102-K115 VanDerWaalsContact O-CE 3.29Å; C102-K115 WeakPolarHBondContact O-CE 3.48Å
103D95.3Very high95.2Very high58 Ų5867.4 Ų67.431%0.3134%0.343SS..EExtended strand (participates in β ladder)trans-86.3-51.8177.3-173.133.1000110.7G83 K113 K115G83-D103 WeakPolarHBondContact CA-O 3.49Å; D103-K113 WeakPolarHBondContact CA-O 3.42Å; D103-K113 HydrophobicContact CB-CB 4.49Å; D103-K113 HydrophobicContact CB-CG 4.43Å; D103-K113 WeakPolarHBondContact CB-O 3.39Å; D103-K113 PolarHBondContact N-O 3.3Å; D103-K113 WeakPolarHBondContact OD2-CD 3.35Å; D103-K113 WeakPolarHBondContact OD2-CE 3.46Å; D103-K113 IonicContact OD2-NZ 2.68Å; D103-K113 PolarHBondContact OD2-NZ 2.95Å; D103-K115 HydrophobicContact CB-CG 4.16Å
104T95.3Very high95.2Very high50 Ų5066.8 Ų66.831%0.30734%0.34SS..EExtended strand (participates in β ladder)trans-128.6134.6173.663.50000110.5C102 C111 T112 K113C102-T104 PolarHBondContact SG-O 3.05Å; T104-C111 PolarHBondContact O-SG 3.31Å; T104-T112 VanDerWaalsContact C-OG1 3.27Å; T104-T112 PolarHBondContact O-N 3.17Å; T104-T112 PolarHBondContact O-OG1 3.26Å; T104-T112 PolarHBondContact OG1-OG1 2.98Å; T104-K113 PolarHBondContact N-O 3.07Å; T104-K113 VanDerWaalsContact N-O 3.15Å; T104-K113 PolarHBondContact O-N 3.25Å; T104-K113 VanDerWaalsContact O-N 3.11Å; T104-K113 WeakPolarHBondContact OG1-CB 3.41Å; T104-K113 PolarHBondContact OG1-N 3.05Å
105C96.3Very high95.2Very high17 Ų1766.8 Ų66.812%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-131.3145.9-178.764.70000111.7Y85 C98 F110Y85-C105 WeakPolarHBondContact CD1-SG 3.47Å; C98-C105 WeakPolarHBondContact CA-SG 3.39Å; C98-C105 HydrophobicContact CB-CB 3.92Å; C98-C105 WeakPolarHBondContact CB-SG 3.36Å; C98-C105 WeakPolarHBondContact SG-CB 3.47Å; C98-C105 PolarHBondContact SG-N 3.23Å; C98-C105 CovalentContact SG-SG 2.04Å; C98-C105 PolarHBondContact SG-SG 3.28Å; C105-F110 WeakPolarHBondContact CA-O 3.39Å; C105-F110 WeakPolarHBondContact CB-O 3.45Å
106F95.2Very high95Very high152 Ų15271.3 Ų71.367%0.66737%0.372SS*.SBendtrans-82.2-41173.4177.9-105.5000111.1F110 T112F106-F110 HydrophobicContact CB-CB 4.44Å; F106-F110 HydrophobicContact CB-CD1 3.92Å; F106-F110 PolarHBondContact N-O 2.82Å; F106-T112 HydrophobicContact CB-CG2 4.28Å
107N94.8Very high94.9Very high61 Ų6172.1 Ų72.133%0.32639%0.388SS..SBendtrans-149.2-174174.666.641.9000110.2Y85 N109 F110Y85-N107 HydrophobicContact CD2-CB 4.45Å; N107-N109 PolarHBondContact O-N 3.43Å; N107-N109 VanDerWaalsContact O-N 3.12Å; N107-N109 WeakPolarHBondContact OD1-CA 3.33Å; N107-N109 PolarHBondContact OD1-N 2.86Å; N107-F110 PolarHBondContact N-O 3Å; N107-F110 PolarHBondContact O-N 2.81Å; N107-F110 WeakPolarHBondContact OD1-CB 3.45Å; N107-F110 PolarHBondContact OD1-N 2.84Å
108K92.7Very high95Very high139 Ų13967.9 Ų67.960%0.60437%0.369SS*.SBendtrans-55-31.6-179.9-166.2175.9176.2-178.60114Y85 K99Y85-K108 WeakPolarHBondContact OH-CB 3.39Å; K99-K108 WeakPolarHBondContact CE-O 3.29Å
109N92.8Very high95Very high109 Ų10969.3 Ų69.358%0.58337%0.373SS*.SBendtrans-107.6-17.3-170.9-66.2-22.6000113.5N107N107-N109 PolarHBondContact O-N 3.43Å; N107-N109 VanDerWaalsContact O-N 3.12Å; N107-N109 WeakPolarHBondContact OD1-CA 3.33Å; N107-N109 PolarHBondContact OD1-N 2.86Å
110F96.3Very high95Very high96 Ų9666 Ų6642%0.42136%0.36SS..  trans-118.3104.3-173.5-163.2-83.6000110.3C105 F106 N107 T112 G123C105-F110 WeakPolarHBondContact CA-O 3.39Å; C105-F110 WeakPolarHBondContact CB-O 3.45Å; F106-F110 HydrophobicContact CB-CB 4.44Å; F106-F110 HydrophobicContact CB-CD1 3.92Å; F106-F110 PolarHBondContact N-O 2.82Å; N107-F110 PolarHBondContact N-O 3Å; N107-F110 PolarHBondContact O-N 2.81Å; N107-F110 WeakPolarHBondContact OD1-CB 3.45Å; N107-F110 PolarHBondContact OD1-N 2.84Å; F110-T112 HydrophobicContact CD1-CG2 4.2Å; F110-T112 HydrophobicContact CE1-CG2 4.05Å; F110-G123 CarbonylContact C-O 3.53Å; F110-G123 WeakPolarHBondContact CA-O 3.1Å
111C96.6Very high95.1Very high8 Ų864.1 Ų64.15%0.05434%0.336CS..EExtended strand (participates in β ladder)trans-85.4137.1170.4-167.10000110.1C102 T104 K113 L120 G123 C125C102-C111 VanDerWaalsContact CA-SG 3.6Å; C102-C111 HydrophobicContact CB-CB 3.94Å; C102-C111 WeakPolarHBondContact CB-SG 3.34Å; C102-C111 VanDerWaalsContact SG-CA 3.56Å; C102-C111 WeakPolarHBondContact SG-CB 3.3Å; C102-C111 CovalentContact SG-SG 2.03Å; C102-C111 PolarHBondContact SG-SG 3.01Å; T104-C111 PolarHBondContact O-SG 3.31Å; C111-K113 PolarHBondContact SG-O 3.34Å; C111-L120 HydrophobicContact CB-CD1 4.29Å; C111-L120 WeakPolarHBondContact O-CD1 3.25Å; C111-G123 WeakPolarHBondContact CB-O 3.29Å; C111-G123 PolarHBondContact N-O 3.09Å; C111-G123 WeakPolarHBondContact O-CA 3.39Å; C111-C125 PolarHBondContact SG-SG 2.98Å
112T95.2Very high95Very high70 Ų7069.2 Ų69.243%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-100-25.6175.345.40000112T104 F106 F110T104-T112 VanDerWaalsContact C-OG1 3.27Å; T104-T112 PolarHBondContact O-N 3.17Å; T104-T112 PolarHBondContact O-OG1 3.26Å; T104-T112 PolarHBondContact OG1-OG1 2.98Å; F106-T112 HydrophobicContact CB-CG2 4.28Å; F110-T112 HydrophobicContact CD1-CG2 4.2Å; F110-T112 HydrophobicContact CE1-CG2 4.05Å
113K94.8Very high94.9Very high114 Ų11469.1 Ų69.150%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-147.5124.3177.3-171-176.3170-145.20110.1D103 T104 C111D103-K113 WeakPolarHBondContact CA-O 3.42Å; D103-K113 HydrophobicContact CB-CB 4.49Å; D103-K113 HydrophobicContact CB-CG 4.43Å; D103-K113 WeakPolarHBondContact CB-O 3.39Å; D103-K113 PolarHBondContact N-O 3.3Å; D103-K113 WeakPolarHBondContact OD2-CD 3.35Å; D103-K113 WeakPolarHBondContact OD2-CE 3.46Å; D103-K113 IonicContact OD2-NZ 2.68Å; D103-K113 PolarHBondContact OD2-NZ 2.95Å; T104-K113 PolarHBondContact N-O 3.07Å; T104-K113 VanDerWaalsContact N-O 3.15Å; T104-K113 PolarHBondContact O-N 3.25Å; T104-K113 VanDerWaalsContact O-N 3.11Å; T104-K113 WeakPolarHBondContact OG1-CB 3.41Å; T104-K113 PolarHBondContact OG1-N 3.05Å; C111-K113 PolarHBondContact SG-O 3.34Å
114C95.9Very high95Very high10 Ų1072.5 Ų72.57%0.06838%0.375CS..EExtended strand (participates in β ladder)trans-81158.5178.2-63.70000112F118 L120 C125C114-F118 HydrophobicContact CB-CB 3.94Å; C114-L120 VanDerWaalsContact SG-CA 3.56Å; C114-C125 WeakPolarHBondContact CA-SG 3.17Å; C114-C125 HydrophobicContact CB-CB 3.79Å; C114-C125 WeakPolarHBondContact CB-SG 2.99Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 2.99Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 3.08Å
115K94.9Very high95Very high86 Ų8670.5 Ų70.537%0.37436%0.363SS..PPolyproline II helixtrans-71.1158.4169.5-67.3-172.9-174.7175.90110.5A100 D101 C102 D103 G117 F118A100-K115 WeakPolarHBondContact O-CD 3.36Å; A100-K115 WeakPolarHBondContact O-CE 3.45Å; A100-K115 PolarHBondContact O-NZ 3.47Å; D101-K115 PolarHBondContact O-N 3.47Å; C102-K115 VanDerWaalsContact O-CE 3.29Å; C102-K115 WeakPolarHBondContact O-CE 3.48Å; D103-K115 HydrophobicContact CB-CG 4.16Å; K115-G117 PolarHBondContact O-N 3.25Å; K115-F118 HydrophobicContact CB-CD2 4.22Å; K115-F118 PolarHBondContact O-N 3.35Å; K115-F118 VanDerWaalsContact O-N 3.07Å
116S92.9Very high95Very high102 Ų10272.5 Ų72.571%0.71337%0.372SS*.THydrogen-bonded Turntrans-53.8132.1175.7-530000111.1
117G92.4Very high94.9Very high54 Ų5470.1 Ų70.156%0.55737%0.366SS*.THydrogen-bonded Turntrans95.5-10.2-176.300000114.6K115K115-G117 PolarHBondContact O-N 3.25Å
118F95.9Very high94.9Very high53 Ų5373.6 Ų73.623%0.23239%0.385CS..  trans-112.6147.3174.7-62.7-94.5000111.2D101 C114 K115 C125 L126 D127D101-F118 HydrophobicContact CB-CD1 3.98Å; D101-F118 HydrophobicContact CB-CD2 4.49Å; D101-F118 HydrophobicContact CB-CE1 3.85Å; D101-F118 HydrophobicContact CB-CE2 4.38Å; D101-F118 HydrophobicContact CB-CG 4.31Å; D101-F118 HydrophobicContact CB-CZ 4.08Å; C114-F118 HydrophobicContact CB-CB 3.94Å; K115-F118 HydrophobicContact CB-CD2 4.22Å; K115-F118 PolarHBondContact O-N 3.35Å; K115-F118 VanDerWaalsContact O-N 3.07Å; F118-C125 HydrophobicContact CB-CB 3.92Å; F118-C125 HydrophobicContact CD1-CB 4.38Å; F118-C125 HydrophobicContact CG-CB 4.35Å; F118-L126 CarbonylContact C-O 3.54Å; F118-L126 WeakPolarHBondContact CA-O 3.03Å; F118-D127 WeakPolarHBondContact CD1-OD1 3.44Å; F118-D127 WeakPolarHBondContact CE1-OD1 3.48Å
119Y96.3Very high95Very high45 Ų4568.2 Ų68.218%0.17637%0.365CS..EExtended strand (participates in β ladder)trans-105.2133.1177-58-85.7000110.9C125 L126 D127 A135 N137 M140 C142Y119-C125 WeakPolarHBondContact O-CA 3.41Å; Y119-L126 PolarHBondContact N-O 3.22Å; Y119-L126 PolarHBondContact O-N 3.36Å; Y119-D127 WeakPolarHBondContact CD2-O 3.03Å; Y119-D127 WeakPolarHBondContact CE2-O 3.39Å; Y119-A135 HydrophobicContact CD1-CB 3.86Å; Y119-A135 HydrophobicContact CD2-CB 4.43Å; Y119-A135 HydrophobicContact CE1-CB 3.48Å; Y119-A135 VanDerWaalsContact CE1-CB 3.48Å; Y119-A135 HydrophobicContact CE2-CB 4.09Å; Y119-A135 HydrophobicContact CG-CB 4.33Å; Y119-N137 PolarHBondContact OH-OD1 2.03Å; Y119-N137 VanDerWaalsContact OH-OD1 3.05Å; Y119-M140 WeakPolarHBondContact CA-O 3.35Å; Y119-C142 VanDerWaalsContact CB-SG 3.57Å
120L96.4Very high95Very high30 Ų3065.4 Ų65.416%0.15735%0.352CS..EExtended strand (participates in β ladder)trans-77.2127.3177.1-176.869.2000110.6C111 C114 K124 M140 E141 C142C111-L120 HydrophobicContact CB-CD1 4.29Å; C111-L120 WeakPolarHBondContact O-CD1 3.25Å; C114-L120 VanDerWaalsContact SG-CA 3.56Å; L120-K124 WeakPolarHBondContact CA-O 3.4Å; L120-M140 PolarHBondContact N-O 3.18Å; L120-E141 HydrophobicContact CB-CG 4.18Å; L120-C142 PolarHBondContact O-N 2.94Å
121H95.9Very high94.7Very high46 Ų4670.4 Ų70.421%0.21338%0.377CS..EExtended strand (participates in β ladder)trans-144.1118.4173-174.863.1000110.5G123 K124 L126 L133 C142H121-G123 PolarHBondContact O-N 3.33Å; H121-G123 VanDerWaalsContact O-N 3.16Å; H121-K124 PolarHBondContact N-O 3.45Å; H121-K124 PolarHBondContact O-N 3.15Å; H121-L126 HydrophobicContact CB-CD1 3.97Å; H121-L133 WeakPolarHBondContact CE1-CD1 2.94Å; H121-C142 HydrophobicContact CB-CB 3.95Å
122L93.8Very high94.3Very high146 Ų14672.3 Ų72.376%0.76440%0.398SS*.THydrogen-bonded Turntrans49.940.8178.5-59.8175.2000113.7K124L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.45Å
123G94.1Very high94.2Very high5 Ų570.1 Ų70.15%0.05238%0.383CS..THydrogen-bonded Turntrans76.811.3-179.200000114.7F110 C111 H121F110-G123 CarbonylContact C-O 3.53Å; F110-G123 WeakPolarHBondContact CA-O 3.1Å; C111-G123 WeakPolarHBondContact CB-O 3.29Å; C111-G123 PolarHBondContact N-O 3.09Å; C111-G123 WeakPolarHBondContact O-CA 3.39Å; H121-G123 PolarHBondContact O-N 3.33Å; H121-G123 VanDerWaalsContact O-N 3.16Å
124K95.9Very high94.1Very high129 Ų12965.2 Ų65.256%0.56136%0.362SS*.EExtended strand (participates in β ladder)trans-118.2151.3173.9-62.2179.9-176.11750110.2L120 H121 L122L120-K124 WeakPolarHBondContact CA-O 3.4Å; H121-K124 PolarHBondContact N-O 3.45Å; H121-K124 PolarHBondContact O-N 3.15Å; L122-K124 VanDerWaalsContact C-N 3.31Å; L122-K124 PolarHBondContact O-N 3.45Å
125C96.5Very high94Very high9 Ų966.6 Ų66.66%0.06137%0.374CS..EExtended strand (participates in β ladder)trans-101129.3175.1-60.30000109D101 C111 C114 F118 Y119D101-C125 HydrophobicContact CB-CB 3.91Å; D101-C125 PolarHBondContact O-SG 3.04Å; D101-C125 WeakPolarHBondContact OD2-CB 3.2Å; C111-C125 PolarHBondContact SG-SG 2.98Å; C114-C125 WeakPolarHBondContact CA-SG 3.17Å; C114-C125 HydrophobicContact CB-CB 3.79Å; C114-C125 WeakPolarHBondContact CB-SG 2.99Å; C114-C125 WeakPolarHBondContact SG-CA 3.37Å; C114-C125 WeakPolarHBondContact SG-CB 2.99Å; C114-C125 CovalentContact SG-SG 2.03Å; C114-C125 PolarHBondContact SG-SG 3.08Å; F118-C125 HydrophobicContact CB-CB 3.92Å; F118-C125 HydrophobicContact CD1-CB 4.38Å; F118-C125 HydrophobicContact CG-CB 4.35Å; Y119-C125 WeakPolarHBondContact O-CA 3.41Å
126L95.3Very high93.8Very high58 Ų5864.7 Ų64.730%0.30437%0.369SS..EExtended strand (participates in β ladder)trans-128.2142.9-176.2-57.2175.7000109.7F118 Y119 H121 N128 P130F118-L126 CarbonylContact C-O 3.54Å; F118-L126 WeakPolarHBondContact CA-O 3.03Å; Y119-L126 PolarHBondContact N-O 3.22Å; Y119-L126 PolarHBondContact O-N 3.36Å; H121-L126 HydrophobicContact CB-CD1 3.97Å; L126-N128 VanDerWaalsContact C-N 3.31Å; L126-N128 WeakPolarHBondContact CB-O 3.05Å; L126-P130 HydrophobicContact CD1-CG 4.23Å
127D94.1Very high93.7Very high102 Ų10265.2 Ų65.255%0.54536%0.363SS..SBendtrans-66.5-37.6173.7-61.8-59.7000111.5F118 Y119F118-D127 WeakPolarHBondContact CD1-OD1 3.44Å; F118-D127 WeakPolarHBondContact CE1-OD1 3.48Å; Y119-D127 WeakPolarHBondContact CD2-O 3.03Å; Y119-D127 WeakPolarHBondContact CE2-O 3.39Å
128N93.6Very high93.4Very high134 Ų13471.1 Ų71.172%0.71738%0.376SS*.SBendtrans-130.7143.8179-67.2-51.1000110.5L126L126-N128 VanDerWaalsContact C-N 3.31Å; L126-N128 WeakPolarHBondContact CB-O 3.05Å
129C94.8Very high93.2Very high27 Ų2771.9 Ų71.918%0.18239%0.385CS..PPolyproline II helixtrans-70.6144.6176.5-66.70000112L133 C142C129-L133 HydrophobicContact CB-CB 4.17Å; C129-C142 WeakPolarHBondContact CA-SG 3.5Å; C129-C142 HydrophobicContact CB-CB 3.83Å; C129-C142 WeakPolarHBondContact CB-SG 3.48Å; C129-C142 WeakPolarHBondContact SG-CA 3.11Å; C129-C142 WeakPolarHBondContact SG-CB 3.21Å; C129-C142 CovalentContact SG-SG 2.05Å; C129-C142 PolarHBondContact SG-SG 3.06Å
130P94.1Very high93Very high50 Ų5073.5 Ų73.533%0.32540%0.395SS..PPolyproline II helixtrans-66.4170.517710-3.9000112.2L126 L133L126-P130 HydrophobicContact CD1-CG 4.23Å; P130-L133 HydrophobicContact CB-CD1 4.48Å; P130-L133 HydrophobicContact CG-CD1 3.73Å; P130-L133 PolarHBondContact O-N 3.39Å
131E90Very high92.9Very high201 Ų20175.9 Ų75.994%0.93941%0.405SS*.THydrogen-bonded Turntrans-59.5140.6-180-164.8169.9-165.200111.9L133E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 3.49Å
132G86.6Confident92.9Very high48 Ų4874.4 Ų74.450%0.49540%0.4SS..THydrogen-bonded Turntrans83.6-5.2-17500000115.3
133L93.5Very high92.9Very high23 Ų2369.6 Ų69.612%0.1238%0.377CS..EExtended strand (participates in β ladder)trans-118.7157.3177.6-63.8152.1000111.1H121 C129 P130 E131 C142 V143 N144H121-L133 WeakPolarHBondContact CE1-CD1 2.94Å; C129-L133 HydrophobicContact CB-CB 4.17Å; P130-L133 HydrophobicContact CB-CD1 4.48Å; P130-L133 HydrophobicContact CG-CD1 3.73Å; P130-L133 PolarHBondContact O-N 3.39Å; E131-L133 VanDerWaalsContact C-N 3.29Å; E131-L133 PolarHBondContact O-N 3.49Å; L133-C142 HydrophobicContact CB-CB 4.29Å; L133-C142 HydrophobicContact CD1-CB 4.4Å; L133-V143 CarbonylContact C-O 3.54Å; L133-V143 VanDerWaalsContact CA-O 3.29Å; L133-V143 WeakPolarHBondContact CA-O 3.32Å; L133-V143 WeakPolarHBondContact CB-O 3.39Å; L133-V143 VanDerWaalsContact CD2-C 3.46Å; L133-V143 WeakPolarHBondContact CD2-O 3.49Å; L133-N144 WeakPolarHBondContact CD2-OD1 3.42Å
134E93.3Very high92.8Very high11 Ų1175 Ų755%0.05141%0.405CS..EExtended strand (participates in β ladder)trans-124.1155.6171.877.9-164120.600112.3C142 V143 I145 S184 A185 K186E134-C142 WeakPolarHBondContact O-CA 3.02Å; E134-V143 HydrophobicContact CG-CG2 3.75Å; E134-V143 PolarHBondContact N-O 3.43Å; E134-V143 PolarHBondContact O-N 3.45Å; E134-I145 HydrophobicContact CB-CG1 4.13Å; E134-I145 WeakPolarHBondContact OE1-CA 3.04Å; E134-S184 VanDerWaalsContact CD-OG 3.27Å; E134-S184 WeakPolarHBondContact OE1-CB 3.37Å; E134-S184 PolarHBondContact OE1-OG 2.98Å; E134-S184 PolarHBondContact OE2-OG 3.22Å; E134-A185 PolarHBondContact OE2-N 3.11Å; E134-K186 HydrophobicContact CB-CB 4.38Å; E134-K186 HydrophobicContact CB-CD 3.83Å; E134-K186 HydrophobicContact CB-CG 4.13Å; E134-K186 PolarHBondContact OE2-N 2.84Å
135A93.5Very high92.7Very high39 Ų3971.1 Ų71.132%0.32239%0.39SS..EExtended strand (participates in β ladder)trans-78.4119.3178.200000110.2Y119Y119-A135 HydrophobicContact CD1-CB 3.86Å; Y119-A135 HydrophobicContact CD2-CB 4.43Å; Y119-A135 HydrophobicContact CE1-CB 3.48Å; Y119-A135 VanDerWaalsContact CE1-CB 3.48Å; Y119-A135 HydrophobicContact CE2-CB 4.09Å; Y119-A135 HydrophobicContact CG-CB 4.33Å
136N91.9Very high92.5Very high47 Ų4772.9 Ų72.925%0.25140%0.4SS..EExtended strand (participates in β ladder)trans-92.3106.6168.3-173.2-16.1000109.9H138 T139 M140 E141 V143N136-H138 PolarHBondContact O-N 3.45Å; N136-H138 WeakPolarHBondContact OD1-CB 3.42Å; N136-H138 PolarHBondContact OD1-N 3.08Å; N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact O-N 3.5Å; N136-M140 VanDerWaalsContact O-CA 3.3Å; N136-M140 WeakPolarHBondContact O-CA 3.01Å; N136-M140 PolarHBondContact O-N 2.95Å; N136-E141 PolarHBondContact N-O 3.37Å; N136-V143 HydrophobicContact CB-CG1 3.99Å; N136-V143 HydrophobicContact CB-CG2 4.04Å
137N89.8Confident92.4Very high112 Ų11274.3 Ų74.360%0.59941%0.405SS*.THydrogen-bonded Turntrans-68.6-17.9-179.2-67.4-18.1000113.8Y119Y119-N137 PolarHBondContact OH-OD1 2.03Å; Y119-N137 VanDerWaalsContact OH-OD1 3.05Å
138H87.4Confident92.5Very high178 Ų17870.4 Ų70.482%0.82439%0.385SS*.THydrogen-bonded Turntrans-80.1-38.8178.8-62-63.3000112.2N136N136-H138 PolarHBondContact O-N 3.45Å; N136-H138 WeakPolarHBondContact OD1-CB 3.42Å; N136-H138 PolarHBondContact OD1-N 3.08Å
139T90.5Very high92.5Very high70 Ų7069.4 Ų69.443%0.42938%0.376SS..THydrogen-bonded Turntrans-102-11.9-179.362.50000113.4N136 E141N136-T139 PolarHBondContact ND2-OG1 3.24Å; N136-T139 PolarHBondContact O-N 3.5Å; T139-E141 VanDerWaalsContact C-N 3.3Å; T139-E141 WeakPolarHBondContact CB-OE2 3.45Å; T139-E141 PolarHBondContact OG1-OE2 3.27Å; T139-E141 VanDerWaalsContact OG1-OE2 3.07Å
140M92.8Very high92.6Very high78 Ų7869.8 Ų69.838%0.38438%0.377SS..THydrogen-bonded Turntrans56.144.2-171.2-61.6-178.7178.400112Y119 L120 N136Y119-M140 WeakPolarHBondContact CA-O 3.35Å; L120-M140 PolarHBondContact N-O 3.18Å; N136-M140 VanDerWaalsContact O-CA 3.3Å; N136-M140 WeakPolarHBondContact O-CA 3.01Å; N136-M140 PolarHBondContact O-N 2.95Å
141E94.5Very high92.7Very high80 Ų8068.8 Ų68.837%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-128.3153.5-178.6-66.1170154.200110.7L120 N136 T139 V143L120-E141 HydrophobicContact CB-CG 4.18Å; N136-E141 PolarHBondContact N-O 3.37Å; T139-E141 VanDerWaalsContact C-N 3.3Å; T139-E141 WeakPolarHBondContact CB-OE2 3.45Å; T139-E141 PolarHBondContact OG1-OE2 3.27Å; T139-E141 VanDerWaalsContact OG1-OE2 3.07Å; E141-V143 HydrophobicContact CB-CG1 4.5Å
142C95.2Very high93.1Very high15 Ų1567.6 Ų67.610%0.10137%0.366CS..EExtended strand (participates in β ladder)trans-85.2114.1168.6-64.20000109.8Y119 L120 H121 C129 L133 E134Y119-C142 VanDerWaalsContact CB-SG 3.57Å; L120-C142 PolarHBondContact O-N 2.94Å; H121-C142 HydrophobicContact CB-CB 3.95Å; C129-C142 WeakPolarHBondContact CA-SG 3.5Å; C129-C142 HydrophobicContact CB-CB 3.83Å; C129-C142 WeakPolarHBondContact CB-SG 3.48Å; C129-C142 WeakPolarHBondContact SG-CA 3.11Å; C129-C142 WeakPolarHBondContact SG-CB 3.21Å; C129-C142 CovalentContact SG-SG 2.05Å; C129-C142 PolarHBondContact SG-SG 3.06Å; L133-C142 HydrophobicContact CB-CB 4.29Å; L133-C142 HydrophobicContact CD1-CB 4.4Å; E134-C142 WeakPolarHBondContact O-CA 3.02Å
143V94Very high93.6Very high45 Ų4568.6 Ų68.627%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-110.4156.9-178.6-590000110.8L133 E134 N136 E141L133-V143 CarbonylContact C-O 3.54Å; L133-V143 VanDerWaalsContact CA-O 3.29Å; L133-V143 WeakPolarHBondContact CA-O 3.32Å; L133-V143 WeakPolarHBondContact CB-O 3.39Å; L133-V143 VanDerWaalsContact CD2-C 3.46Å; L133-V143 WeakPolarHBondContact CD2-O 3.49Å; E134-V143 HydrophobicContact CG-CG2 3.75Å; E134-V143 PolarHBondContact N-O 3.43Å; E134-V143 PolarHBondContact O-N 3.45Å; N136-V143 HydrophobicContact CB-CG1 3.99Å; N136-V143 HydrophobicContact CB-CG2 4.04Å; E141-V143 HydrophobicContact CB-CG1 4.5Å
144N92.6Very high93.7Very high120 Ų12071.1 Ų71.164%0.64237%0.369SS*.EExtended strand (participates in β ladder)trans-64.7140.9176.3-68.3-54.1000110.8L133 V146L133-N144 WeakPolarHBondContact CD2-OD1 3.42Å; N144-V146 PolarHBondContact O-N 3.4Å
145I93Very high93.9Very high47 Ų4776.2 Ų76.224%0.24140%0.403CS..PPolyproline II helixtrans-67.2121.1170.9-61.7170.2000107.9E134 K186E134-I145 HydrophobicContact CB-CG1 4.13Å; E134-I145 WeakPolarHBondContact OE1-CA 3.04Å; I145-K186 HydrophobicContact CD1-CB 4.32Å; I145-K186 HydrophobicContact CG1-CB 4.36Å; I145-K186 HydrophobicContact CG2-CB 4.4Å
146V92.4Very high94Very high46 Ų4677.9 Ų77.928%0.27940%0.401SS..PPolyproline II helixtrans-102119.8178.7179.80000108.3N144 Q181 P183 S184 G187N144-V146 PolarHBondContact O-N 3.4Å; V146-Q181 HydrophobicContact CG1-CG 3.44Å; V146-Q181 VanDerWaalsContact CG1-CG 3.44Å; V146-P183 CarbonylContact O-C 3.6Å; V146-P183 WeakPolarHBondContact O-CA 3.44Å; V146-S184 PolarHBondContact N-OG 3.48Å; V146-S184 VanDerWaalsContact N-OG 3.1Å; V146-S184 PolarHBondContact O-N 2.92Å; V146-S184 PolarHBondContact O-OG 3.49Å; V146-G187 WeakPolarHBondContact O-CA 2.97Å
147H92.6Very high94.2Very high88 Ų8877.3 Ų77.341%0.40740%0.401SS..PPolyproline II helixtrans-86.3160.7174.3-58.6-58000110.7E149 Q181 N188H147-E149 PolarHBondContact O-N 3.1Å; H147-Q181 PolarHBondContact O-OE1 2.03Å; H147-N188 HydrophobicContact CB-CB 4.47Å; H147-N188 PolarHBondContact ND1-N 3.3Å; H147-N188 PolarHBondContact ND1-ND2 2.83Å
148C95.8Very high94.4Very high19 Ų1976.4 Ų76.413%0.12840%0.401CS..PPolyproline II helixtrans-74125175.6-172.20000110.7Q181 P183 N188 C190C148-Q181 VanDerWaalsContact CA-O 3.31Å; C148-Q181 WeakPolarHBondContact CA-O 3.15Å; C148-Q181 PolarHBondContact SG-O 3.17Å; C148-Q181 VanDerWaalsContact SG-O 3.33Å; C148-P183 HydrophobicContact CB-CB 3.94Å; C148-P183 HydrophobicContact CB-CG 3.91Å; C148-N188 WeakPolarHBondContact CB-O 3.43Å; C148-N188 PolarHBondContact N-O 2.92Å; C148-C190 HydrophobicContact CB-CB 3.86Å; C148-C190 WeakPolarHBondContact CB-SG 3.31Å; C148-C190 WeakPolarHBondContact SG-CA 2.98Å; C148-C190 WeakPolarHBondContact SG-CB 3Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.71Å
149E95.3Very high94.8Very high114 Ų11468.7 Ų68.753%0.53337%0.366SS..EExtended strand (participates in β ladder)trans-111.5137.7170.9-58.6-176163.300109.6H147 M180 Q181H147-E149 PolarHBondContact O-N 3.1Å; E149-M180 PolarHBondContact O-N 3.15Å; E149-Q181 HydrophobicContact CB-CB 3.78Å; E149-Q181 HydrophobicContact CG-CB 4.14Å; E149-Q181 PolarHBondContact N-O 3.09Å; E149-Q181 PolarHBondContact O-N 2.82Å
150V96.6Very high95.1Very high34 Ų3467.2 Ų67.221%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-122.8152.4-178.3-67.30000109.6E178 I179 P191V150-E178 CarbonylContact C-O 3.57Å; V150-E178 VanDerWaalsContact CA-O 3.28Å; V150-E178 WeakPolarHBondContact CA-O 3.03Å; V150-E178 WeakPolarHBondContact CB-O 3.38Å; V150-I179 HydrophobicContact CG1-CG1 4.12Å; V150-P191 HydrophobicContact CB-CG 4.43Å; V150-P191 HydrophobicContact CG1-CG 3.82Å; V150-P191 HydrophobicContact CG2-CG 3.69Å
151S96.5Very high95.2Very high29 Ų2968.7 Ų68.720%0.20336%0.362CS..PPolyproline II helixtrans-66.5169.1178.474.90000112E178S151-E178 PolarHBondContact N-O 2.77Å; S151-E178 PolarHBondContact OG-N 3.02Å
152E96.6Very high94.9Very high177 Ų17774.4 Ų74.483%0.82739%0.385SS*.PPolyproline II helixtrans-57.7154.9160.1-64.8-169171.600110.8
153W97.3Very high94.6Very high68 Ų6877.2 Ų77.226%0.25842%0.417SS..PPolyproline II helixtrans-69.6136.2177.6-75.4105.3000111.2R175 R177 E195W153-R175 HydrophobicContact CD2-CG 4.15Å; W153-R175 HydrophobicContact CE3-CB 4.24Å; W153-R175 HydrophobicContact CE3-CG 3.54Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.88Å; W153-R177 HydrophobicContact CD2-CB 4.17Å; W153-R177 HydrophobicContact CD2-CG 4.16Å; W153-R177 HydrophobicContact CE3-CB 3.75Å; W153-R177 HydrophobicContact CE3-CG 3.77Å; W153-R177 HydrophobicContact CH2-CG 3.95Å; W153-R177 HydrophobicContact CZ2-CG 4.31Å; W153-R177 VanDerWaalsContact CZ2-CZ 3.48Å; W153-R177 VanDerWaalsContact CZ2-NE 3.32Å; W153-R177 HydrophobicContact CZ3-CB 4.11Å; W153-R177 HydrophobicContact CZ3-CG 3.66Å; W153-E195 HydrophobicContact CH2-CB 3.78Å; W153-E195 HydrophobicContact CZ2-CB 4.38Å; W153-E195 HydrophobicContact CZ3-CB 4.09Å
154N96.9Very high94.4Very high76 Ų7681.5 Ų81.541%0.40643%0.432SS..PPolyproline II helixtrans-63.3155.6165-69.8-12.6000110.4V176N154-V176 VanDerWaalsContact CB-O 3.24Å; N154-V176 WeakPolarHBondContact CB-O 3.43Å; N154-V176 PolarHBondContact N-O 3.35Å
155P97Very high94.4Very high118 Ų11880.4 Ų80.477%0.76643%0.43SS*.PPolyproline II helixtrans-53.2147.6170.8-24.834.1000111.5S157P155-S157 PolarHBondContact O-N 3.33Å
156W96.6Very high94.3Very high74 Ų7479.9 Ų79.928%0.2843%0.43SS..PPolyproline II helixtrans-57.9134.1175-72100.8000110.8E173 R175 E195 R197W156-E173 HydrophobicContact CD2-CG 4.2Å; W156-E173 HydrophobicContact CE3-CB 4.12Å; W156-E173 HydrophobicContact CE3-CG 3.63Å; W156-E173 HydrophobicContact CZ3-CG 4.12Å; W156-R175 HydrophobicContact CD2-CB 4.1Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.83Å; W156-R175 HydrophobicContact CE3-CG 3.81Å; W156-R175 HydrophobicContact CH2-CG 3.73Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 HydrophobicContact CZ3-CB 4.13Å; W156-R175 HydrophobicContact CZ3-CG 3.64Å; W156-E195 HydrophobicContact CH2-CB 4.3Å; W156-E195 HydrophobicContact CH2-CG 3.97Å; W156-R197 HydrophobicContact CH2-CB 3.73Å; W156-R197 HydrophobicContact CZ2-CB 4.45Å; W156-R197 HydrophobicContact CZ3-CB 3.88Å
157S95.3Very high94.2Very high36 Ų3679.9 Ų79.925%0.25244%0.439SS..PPolyproline II helixtrans-59.9158.5170.373.30000110.5P155 C159 E173 T174P155-S157 PolarHBondContact O-N 3.33Å; S157-C159 PolarHBondContact O-N 3.39Å; S157-E173 WeakPolarHBondContact O-CB 3.49Å; S157-T174 WeakPolarHBondContact CB-O 3.33Å; S157-T174 PolarHBondContact N-O 2.84Å; S157-T174 PolarHBondContact OG-N 2.48Å; S157-T174 PolarHBondContact OG-O 2.88Å; S157-T174 VanDerWaalsContact OG-O 3.1Å; S157-T174 PolarHBondContact OG-OG1 3.43Å
158P94.8Very high94.2Very high93 Ų9376.3 Ų76.360%0.60442%0.422SS*.PPolyproline II helixtrans-52.2141.6168.2-24.834.1000111.5T160 T165P158-T160 PolarHBondContact O-N 3.5Å; P158-T165 HydrophobicContact CB-CG2 4.24Å
159C95.8Very high94.1Very high15 Ų1581.8 Ų81.810%0.10144%0.444CS..PPolyproline II helixtrans-58.5128172.6-169.40000109S157 F168 C199 V201S157-C159 PolarHBondContact O-N 3.39Å; C159-F168 HydrophobicContact CB-CE2 4.46Å; C159-F168 VanDerWaalsContact O-CZ 3.29Å; C159-F168 WeakPolarHBondContact O-CZ 3.5Å; C159-C199 WeakPolarHBondContact CA-SG 3.24Å; C159-C199 HydrophobicContact CB-CB 3.85Å; C159-C199 WeakPolarHBondContact CB-SG 3.4Å; C159-C199 WeakPolarHBondContact SG-CB 3.42Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.83Å; C159-V201 HydrophobicContact CB-CG1 3.61Å
160T95.2Very high94Very high40 Ų4085.5 Ų85.525%0.24545%0.453CS..BIsolated β-bridgetrans-131.2154.8179.259.10000112.5P158 K164 T165 G171 T172P158-T160 PolarHBondContact O-N 3.5Å; T160-K164 CarbonylContact C-O 3.49Å; T160-K164 WeakPolarHBondContact CA-O 3.4Å; T160-K164 WeakPolarHBondContact CB-O 3.37Å; T160-T165 HydrophobicContact CG2-CG2 3.73Å; T160-G171 CarbonylContact O-C 3.59Å; T160-G171 VanDerWaalsContact O-CA 3.26Å; T160-G171 WeakPolarHBondContact O-CA 3.46Å; T160-T172 PolarHBondContact N-O 2.83Å; T160-T172 PolarHBondContact O-N 2.82Å; T160-T172 PolarHBondContact OG1-O 3.33Å
161K94.6Very high94Very high109 Ų10984.4 Ų84.447%0.47445%0.448SS..BIsolated β-bridgetrans-135.5120.9168.6-168.8-178.4-168.9169.50109.4G163 K164 F168 R170K161-G163 VanDerWaalsContact C-N 3.27Å; K161-G163 PolarHBondContact O-N 3.27Å; K161-K164 PolarHBondContact N-O 3.3Å; K161-K164 PolarHBondContact O-N 3.32Å; K161-K164 VanDerWaalsContact O-N 3.14Å; K161-F168 HydrophobicContact CB-CB 4.01Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 3.9Å; K161-F168 HydrophobicContact CB-CE1 4.01Å; K161-F168 HydrophobicContact CB-CE2 4.32Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.39Å; K161-F168 HydrophobicContact CD-CB 3.67Å; K161-F168 HydrophobicContact CD-CG 4.12Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.45Å; K161-R170 WeakPolarHBondContact CD-O 3.29Å
162K89Confident94Very high199 Ų19986 Ų8687%0.86546%0.457SS*.THydrogen-bonded Turntrans5244.3-175.6-59.2-176.5175.7-171.80112.3K164K162-K164 PolarHBondContact O-N 3.21Å
163G89.1Confident94Very high74 Ų7478.6 Ų78.676%0.76342%0.423SS*.THydrogen-bonded Turntrans72.85.2179.800000115.9K161K161-G163 VanDerWaalsContact C-N 3.27Å; K161-G163 PolarHBondContact O-N 3.27Å
164K89.8Confident93.9Very high136 Ų13678.5 Ų78.559%0.59143%0.429SS*.BIsolated β-bridgetrans-106.7149.1177.5-61.6-178.9-178.6-179.50110.6T160 K161 K162 F168T160-K164 CarbonylContact C-O 3.49Å; T160-K164 WeakPolarHBondContact CA-O 3.4Å; T160-K164 WeakPolarHBondContact CB-O 3.37Å; K161-K164 PolarHBondContact N-O 3.3Å; K161-K164 PolarHBondContact O-N 3.32Å; K161-K164 VanDerWaalsContact O-N 3.14Å; K162-K164 PolarHBondContact O-N 3.21Å; K164-F168 WeakPolarHBondContact O-CE1 3.45Å
165T92.7Very high94Very high97 Ų9777.5 Ų77.560%0.59542%0.42SS*.SBendtrans-101-3.3176.2520000113.7P158 T160P158-T165 HydrophobicContact CB-CG2 4.24Å; T160-T165 HydrophobicContact CG2-CG2 3.73Å
166C90.1Very high94Very high36 Ų3675.4 Ų75.424%0.24341%0.405CS..SBendtrans-129.4165.4-177.960.20000111.9F168 C206C166-F168 VanDerWaalsContact O-CD1 3.28Å; C166-F168 WeakPolarHBondContact O-CD1 3.37Å; C166-F168 PolarHBondContact O-N 3.34Å; C166-C206 HydrophobicContact CB-CB 4.09Å; C166-C206 WeakPolarHBondContact CB-SG 3.42Å; C166-C206 PolarHBondContact O-SG 3.43Å; C166-C206 VanDerWaalsContact O-SG 3.39Å; C166-C206 WeakPolarHBondContact SG-CA 3.29Å; C166-C206 WeakPolarHBondContact SG-CB 3.33Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 2.04Å
167G90.2Very high94Very high45 Ų4573.9 Ų73.946%0.46440%0.399SS..SBendtrans80.66.5172.700000116.2K204G167-K204 WeakPolarHBondContact CA-O 3.45Å; G167-K204 PolarHBondContact N-O 3.3Å
168F93.1Very high94Very high14 Ų1478.7 Ų78.76%0.06142%0.417CS..  trans-130.6161.8175.861.4-87.3000111.9C159 K161 K164 C166 R170 V201C159-F168 HydrophobicContact CB-CE2 4.46Å; C159-F168 VanDerWaalsContact O-CZ 3.29Å; C159-F168 WeakPolarHBondContact O-CZ 3.5Å; K161-F168 HydrophobicContact CB-CB 4.01Å; K161-F168 HydrophobicContact CB-CD1 3.54Å; K161-F168 HydrophobicContact CB-CD2 3.9Å; K161-F168 HydrophobicContact CB-CE1 4.01Å; K161-F168 HydrophobicContact CB-CE2 4.32Å; K161-F168 HydrophobicContact CB-CG 3.51Å; K161-F168 HydrophobicContact CB-CZ 4.39Å; K161-F168 HydrophobicContact CD-CB 3.67Å; K161-F168 HydrophobicContact CD-CG 4.12Å; K161-F168 HydrophobicContact CG-CB 4.48Å; K161-F168 HydrophobicContact CG-CG 4.45Å; K164-F168 WeakPolarHBondContact O-CE1 3.45Å; C166-F168 VanDerWaalsContact O-CD1 3.28Å; C166-F168 WeakPolarHBondContact O-CD1 3.37Å; C166-F168 PolarHBondContact O-N 3.34Å; F168-R170 WeakPolarHBondContact CD2-O 3.02Å; F168-V201 HydrophobicContact CD2-CG2 3.93Å; F168-V201 HydrophobicContact CE2-CG2 3.48Å; F168-V201 VanDerWaalsContact CE2-CG2 3.48Å; F168-V201 HydrophobicContact CZ-CG2 4.12Å
169K93.1Very high94.1Very high134 Ų13477 Ų7758%0.58340%0.402SS*.SBendtrans-102.9-32.8174.6-172.1175.6-177.91780112.6T200 V201K169-T200 HydrophobicContact CG-CG2 4.22Å; K169-T200 CarbonylContact O-C 3.56Å; K169-T200 VanDerWaalsContact O-CA 3.26Å; K169-T200 WeakPolarHBondContact O-CA 3.36Å; K169-T200 WeakPolarHBondContact O-CG2 3.48Å; K169-V201 WeakPolarHBondContact CA-O 3.24Å; K169-V201 PolarHBondContact O-N 3.47Å
170R94.8Very high94.1Very high191 Ų19183 Ų8372%0.72143%0.431SS*.EExtended strand (participates in β ladder)trans-122.3131.7178.3-63.4179.8-176.7162.10.2109.4K161 F168 C199K161-R170 WeakPolarHBondContact CD-O 3.29Å; F168-R170 WeakPolarHBondContact CD2-O 3.02Å; R170-C199 WeakPolarHBondContact CA-O 3.18Å
171G95.4Very high94.1Very high11 Ų1184.6 Ų84.611%0.11344%0.435CS..EExtended strand (participates in β ladder)trans-144.2-163.5179.300000111.4T160 K198 C199T160-G171 CarbonylContact O-C 3.59Å; T160-G171 VanDerWaalsContact O-CA 3.26Å; T160-G171 WeakPolarHBondContact O-CA 3.46Å; G171-K198 WeakPolarHBondContact O-CA 3.35Å; G171-C199 PolarHBondContact N-O 3.3Å; G171-C199 PolarHBondContact O-N 3.07Å; G171-C199 PolarHBondContact O-SG 3.05Å
172T96.9Very high94Very high62 Ų6285.6 Ų85.638%0.3844%0.442SS..EExtended strand (participates in β ladder)trans-129.3144.2174.249.50000110.2T160 T196 R197 C199T160-T172 PolarHBondContact N-O 2.83Å; T160-T172 PolarHBondContact O-N 2.82Å; T160-T172 PolarHBondContact OG1-O 3.33Å; T172-T196 HydrophobicContact CG2-CG2 4.32Å; T172-R197 CarbonylContact C-O 3.5Å; T172-R197 VanDerWaalsContact CA-O 3.23Å; T172-R197 WeakPolarHBondContact CA-O 3.47Å; T172-C199 VanDerWaalsContact CA-SG 3.54Å; T172-C199 PolarHBondContact N-SG 2.9Å; T172-C199 VanDerWaalsContact N-SG 3.39Å
173E96.3Very high94.2Very high23 Ų2378 Ų7811%0.10741%0.413CS..EExtended strand (participates in β ladder)trans-120146.7171.756.8-170.3-176.500108.3W156 S157 T196 R197 C199W156-E173 HydrophobicContact CD2-CG 4.2Å; W156-E173 HydrophobicContact CE3-CB 4.12Å; W156-E173 HydrophobicContact CE3-CG 3.63Å; W156-E173 HydrophobicContact CZ3-CG 4.12Å; S157-E173 WeakPolarHBondContact O-CB 3.49Å; E173-T196 WeakPolarHBondContact O-CA 3.18Å; E173-R197 HydrophobicContact CG-CB 4.22Å; E173-R197 PolarHBondContact N-O 3.07Å; E173-R197 PolarHBondContact O-N 3.31Å; E173-R197 IonicContact OE1-CZ 2.92Å; E173-R197 IonicContact OE1-NE 3.1Å; E173-R197 PolarHBondContact OE1-NE 2.93Å; E173-R197 IonicContact OE1-NH2 2.76Å; E173-R197 PolarHBondContact OE1-NH2 2.95Å; E173-C199 HydrophobicContact CG-CB 4.08Å
174T96.3Very high94.4Very high65 Ų6576.1 Ų76.140%0.39939%0.388SS..EExtended strand (participates in β ladder)trans-125.9141.1-177.850.70000109.2S157 E195 T196S157-T174 WeakPolarHBondContact CB-O 3.33Å; S157-T174 PolarHBondContact N-O 2.84Å; S157-T174 PolarHBondContact OG-N 2.48Å; S157-T174 PolarHBondContact OG-O 2.88Å; S157-T174 VanDerWaalsContact OG-O 3.1Å; S157-T174 PolarHBondContact OG-OG1 3.43Å; T174-E195 CarbonylContact C-O 3.54Å; T174-E195 VanDerWaalsContact CA-O 3.27Å; T174-E195 WeakPolarHBondContact CA-O 3.28Å; T174-T196 HydrophobicContact CG2-CG2 3.85Å; T174-T196 WeakPolarHBondContact CG2-OG1 3.4Å
175R97.3Very high94.2Very high56 Ų5674.6 Ų74.621%0.21140%0.4CS..EExtended strand (participates in β ladder)trans-124.8154.4166.563.6177.1-176.8173.4-0.4109.6W153 W156 N194 E195W153-R175 HydrophobicContact CD2-CG 4.15Å; W153-R175 HydrophobicContact CE3-CB 4.24Å; W153-R175 HydrophobicContact CE3-CG 3.54Å; W153-R175 VanDerWaalsContact CG-CZ 3.44Å; W153-R175 HydrophobicContact CZ3-CG 3.88Å; W156-R175 HydrophobicContact CD2-CB 4.1Å; W156-R175 HydrophobicContact CD2-CG 4.08Å; W156-R175 HydrophobicContact CE3-CB 3.83Å; W156-R175 HydrophobicContact CE3-CG 3.81Å; W156-R175 HydrophobicContact CH2-CG 3.73Å; W156-R175 HydrophobicContact CZ2-CG 3.99Å; W156-R175 HydrophobicContact CZ3-CB 4.13Å; W156-R175 HydrophobicContact CZ3-CG 3.64Å; R175-N194 WeakPolarHBondContact O-CA 3.37Å; R175-E195 HydrophobicContact CG-CB 3.99Å; R175-E195 IonicContact CZ-OE2 2.64Å; R175-E195 PolarHBondContact N-O 3.14Å; R175-E195 IonicContact NE-OE2 3.18Å; R175-E195 PolarHBondContact NE-OE2 3.07Å; R175-E195 IonicContact NH2-OE2 2.82Å; R175-E195 PolarHBondContact NH2-OE2 3.48Å; R175-E195 PolarHBondContact O-N 2.03Å
176V96.9Very high94Very high73 Ų7376.4 Ų76.444%0.44240%0.4SS..EExtended strand (participates in β ladder)trans-128.9154.4178.7-62.90000109.4N154 T193 N194N154-V176 VanDerWaalsContact CB-O 3.24Å; N154-V176 WeakPolarHBondContact CB-O 3.43Å; N154-V176 PolarHBondContact N-O 3.35Å; V176-T193 CarbonylContact C-O 3.53Å; V176-T193 VanDerWaalsContact CA-O 3.26Å; V176-T193 WeakPolarHBondContact CA-O 3.42Å; V176-N194 HydrophobicContact CG1-CB 4.34Å
177R97.1Very high94Very high43 Ų4375.5 Ų75.516%0.16240%0.397CS..  trans-139.515817063.9178.3171.9178.4-4.7108.7W153 P191 P192 T193W153-R177 HydrophobicContact CD2-CB 4.17Å; W153-R177 HydrophobicContact CD2-CG 4.16Å; W153-R177 HydrophobicContact CE3-CB 3.75Å; W153-R177 HydrophobicContact CE3-CG 3.77Å; W153-R177 HydrophobicContact CH2-CG 3.95Å; W153-R177 HydrophobicContact CZ2-CG 4.31Å; W153-R177 VanDerWaalsContact CZ2-CZ 3.48Å; W153-R177 VanDerWaalsContact CZ2-NE 3.32Å; W153-R177 HydrophobicContact CZ3-CB 4.11Å; W153-R177 HydrophobicContact CZ3-CG 3.66Å; R177-P191 VanDerWaalsContact NH2-CB 3.34Å; R177-P192 VanDerWaalsContact CZ-O 3.27Å; R177-P192 PolarHBondContact NE-O 2.82Å; R177-P192 PolarHBondContact NH2-O 3.43Å; R177-T193 PolarHBondContact N-O 3.04Å; R177-T193 VanDerWaalsContact O-CB 3.3Å; R177-T193 WeakPolarHBondContact O-CB 3.05Å
178E96Very high94Very high136 Ų13678.3 Ų78.364%0.63640%0.401SS*.  trans-104.8157.3-175.3-63.9-177.2173.800111.1V150 S151V150-E178 CarbonylContact C-O 3.57Å; V150-E178 VanDerWaalsContact CA-O 3.28Å; V150-E178 WeakPolarHBondContact CA-O 3.03Å; V150-E178 WeakPolarHBondContact CB-O 3.38Å; S151-E178 PolarHBondContact N-O 2.77Å; S151-E178 PolarHBondContact OG-N 3.02Å
179I96.8Very high94Very high57 Ų5785.3 Ų85.329%0.29244%0.438SS..EExtended strand (participates in β ladder)trans-86.9115.9172.9-63.6165.3000106.9V150 Q181 C190 T193V150-I179 HydrophobicContact CG1-CG1 4.12Å; I179-Q181 WeakPolarHBondContact CG2-O 3.17Å; I179-C190 HydrophobicContact CD1-CB 4.11Å; I179-C190 HydrophobicContact CG1-CB 4.41Å; I179-T193 HydrophobicContact CD1-CG2 4.05Å; I179-T193 HydrophobicContact CG1-CG2 3.75Å
180M95.6Very high94Very high143 Ų14381 Ų8170%0.70442%0.424SS*.EExtended strand (participates in β ladder)trans-85.6-39178.3-66.8-173.76600111.3E149E149-M180 PolarHBondContact O-N 3.15Å
181Q94.9Very high94Very high72 Ų7274.2 Ų74.234%0.33641%0.405SS..EExtended strand (participates in β ladder)trans-129.4123.9178.1-169.8173.363.100109.3V146 H147 C148 E149 I179V146-Q181 HydrophobicContact CG1-CG 3.44Å; V146-Q181 VanDerWaalsContact CG1-CG 3.44Å; H147-Q181 PolarHBondContact O-OE1 2.03Å; C148-Q181 VanDerWaalsContact CA-O 3.31Å; C148-Q181 WeakPolarHBondContact CA-O 3.15Å; C148-Q181 PolarHBondContact SG-O 3.17Å; C148-Q181 VanDerWaalsContact SG-O 3.33Å; E149-Q181 HydrophobicContact CB-CB 3.78Å; E149-Q181 HydrophobicContact CG-CB 4.14Å; E149-Q181 PolarHBondContact N-O 3.09Å; E149-Q181 PolarHBondContact O-N 2.82Å; I179-Q181 WeakPolarHBondContact CG2-O 3.17Å
182H93.1Very high94Very high130 Ų13078 Ų7860%0.60243%0.428SS*.  trans-79.4141.6175-72.481.5000110
183P93.8Very high94Very high41 Ų4177.5 Ų77.527%0.26643%0.425SS..  trans-72.8149.3179.530.2-32.1000110.2V146 C148 N188 C190V146-P183 CarbonylContact O-C 3.6Å; V146-P183 WeakPolarHBondContact O-CA 3.44Å; C148-P183 HydrophobicContact CB-CB 3.94Å; C148-P183 HydrophobicContact CB-CG 3.91Å; P183-N188 WeakPolarHBondContact CB-O 2.97Å; P183-C190 VanDerWaalsContact CD-SG 3.51Å
184S91.8Very high94Very high34 Ų3481.4 Ų81.424%0.23845%0.446CS..  trans-77.3-177.4168.467.40000112E134 V146 K186 G187E134-S184 VanDerWaalsContact CD-OG 3.27Å; E134-S184 WeakPolarHBondContact OE1-CB 3.37Å; E134-S184 PolarHBondContact OE1-OG 2.98Å; E134-S184 PolarHBondContact OE2-OG 3.22Å; V146-S184 PolarHBondContact N-OG 3.48Å; V146-S184 VanDerWaalsContact N-OG 3.1Å; V146-S184 PolarHBondContact O-N 2.92Å; V146-S184 PolarHBondContact O-OG 3.49Å; S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.9Å; S184-G187 PolarHBondContact O-N 2.05Å; S184-G187 PolarHBondContact OG-N 2.81Å
185A86.9Confident94Very high103 Ų10381.7 Ų81.785%0.85144%0.443SS*.THydrogen-bonded Turntrans-63.6-37.4-174.500000112.4E134E134-A185 PolarHBondContact OE2-N 3.11Å
186K87.9Confident94Very high136 Ų13683.1 Ų83.159%0.59146%0.458SS*.THydrogen-bonded Turntrans-95.24.5173.2-63.5-170.5-176.1179.50113.6E134 I145 S184E134-K186 HydrophobicContact CB-CB 4.38Å; E134-K186 HydrophobicContact CB-CD 3.83Å; E134-K186 HydrophobicContact CB-CG 4.13Å; E134-K186 PolarHBondContact OE2-N 2.84Å; I145-K186 HydrophobicContact CD1-CB 4.32Å; I145-K186 HydrophobicContact CG1-CB 4.36Å; I145-K186 HydrophobicContact CG2-CB 4.4Å; S184-K186 VanDerWaalsContact C-N 3.31Å; S184-K186 PolarHBondContact O-N 2.9Å
187G89.3Confident94Very high16 Ų1686 Ų8617%0.16546%0.461CS..SBendtrans-70.6164.7178.600000113.5V146 S184V146-G187 WeakPolarHBondContact O-CA 2.97Å; S184-G187 PolarHBondContact O-N 2.05Å; S184-G187 PolarHBondContact OG-N 2.81Å
188N91Very high94Very high104 Ų10492.8 Ų92.856%0.55649%0.492SS*.PPolyproline II helixtrans-75.3141.4174.9-71.8-35.8000109.7H147 C148 P183H147-N188 HydrophobicContact CB-CB 4.47Å; H147-N188 PolarHBondContact ND1-N 3.3Å; H147-N188 PolarHBondContact ND1-ND2 2.83Å; C148-N188 WeakPolarHBondContact CB-O 3.43Å; C148-N188 PolarHBondContact N-O 2.92Å; P183-N188 WeakPolarHBondContact CB-O 2.97Å
189L92.3Very high93.9Very high162 Ų16286.9 Ų86.985%0.84847%0.466SS*.PPolyproline II helixtrans-60.5145.6176.5-65.3178.5000111.3
190C94.6Very high93.8Very high43 Ų4389 Ų8929%0.29148%0.481SS..PPolyproline II helixtrans-62.2134.1176.1-64.70000111.3C148 I179 P183C148-C190 HydrophobicContact CB-CB 3.86Å; C148-C190 WeakPolarHBondContact CB-SG 3.31Å; C148-C190 WeakPolarHBondContact SG-CA 2.98Å; C148-C190 WeakPolarHBondContact SG-CB 3Å; C148-C190 CovalentContact SG-SG 2.03Å; C148-C190 PolarHBondContact SG-SG 2.71Å; I179-C190 HydrophobicContact CD1-CB 4.11Å; I179-C190 HydrophobicContact CG1-CB 4.41Å; P183-C190 VanDerWaalsContact CD-SG 3.51Å
191P94.7Very high93.7Very high49 Ų4984.6 Ų84.632%0.31846%0.462SS..PPolyproline II helixtrans-67.7164.9171.635.4-39.1000109.8V150 R177 T193V150-P191 HydrophobicContact CB-CG 4.43Å; V150-P191 HydrophobicContact CG1-CG 3.82Å; V150-P191 HydrophobicContact CG2-CG 3.69Å; R177-P191 VanDerWaalsContact NH2-CB 3.34Å; P191-T193 PolarHBondContact O-N 3.47Å
192P94.8Very high93.5Very high91 Ų9189 Ų8959%0.59148%0.483SS*.PPolyproline II helixtrans-61.3137.2-175.323-33.7000112R177R177-P192 VanDerWaalsContact CZ-O 3.27Å; R177-P192 PolarHBondContact NE-O 2.82Å; R177-P192 PolarHBondContact NH2-O 3.43Å
193T96.6Very high93.3Very high51 Ų5192 Ų9231%0.31349%0.489SS..SBendtrans-92.6-8.2-178.250.60000113.6V176 R177 I179 P191V176-T193 CarbonylContact C-O 3.53Å; V176-T193 VanDerWaalsContact CA-O 3.26Å; V176-T193 WeakPolarHBondContact CA-O 3.42Å; R177-T193 PolarHBondContact N-O 3.04Å; R177-T193 VanDerWaalsContact O-CB 3.3Å; R177-T193 WeakPolarHBondContact O-CB 3.05Å; I179-T193 HydrophobicContact CD1-CG2 4.05Å; I179-T193 HydrophobicContact CG1-CG2 3.75Å; P191-T193 PolarHBondContact O-N 3.47Å
194N96.3Very high93Very high104 Ų10497.7 Ų97.756%0.55651%0.509SS*.EExtended strand (participates in β ladder)trans-128146.5174.565.858.9000110.6R175 V176R175-N194 WeakPolarHBondContact O-CA 3.37Å; V176-N194 HydrophobicContact CG1-CB 4.34Å
195E97.3Very high92.6Very high71 Ų71105.8 Ų105.833%0.33254%0.54SS..EExtended strand (participates in β ladder)trans-138.9136.5173.4-169.9-178.2-179.500109.5W153 W156 T174 R175W153-E195 HydrophobicContact CH2-CB 3.78Å; W153-E195 HydrophobicContact CZ2-CB 4.38Å; W153-E195 HydrophobicContact CZ3-CB 4.09Å; W156-E195 HydrophobicContact CH2-CB 4.3Å; W156-E195 HydrophobicContact CH2-CG 3.97Å; T174-E195 CarbonylContact C-O 3.54Å; T174-E195 VanDerWaalsContact CA-O 3.27Å; T174-E195 WeakPolarHBondContact CA-O 3.28Å; R175-E195 HydrophobicContact CG-CB 3.99Å; R175-E195 IonicContact CZ-OE2 2.64Å; R175-E195 PolarHBondContact N-O 3.14Å; R175-E195 IonicContact NE-OE2 3.18Å; R175-E195 PolarHBondContact NE-OE2 3.07Å; R175-E195 IonicContact NH2-OE2 2.82Å; R175-E195 PolarHBondContact NH2-OE2 3.48Å; R175-E195 PolarHBondContact O-N 2.03Å
196T96.5Very high92.6Very high87 Ų87103.7 Ų103.753%0.53452%0.519SS..EExtended strand (participates in β ladder)trans-121.3129.5178.6-53.40000109.6T172 E173 T174T172-T196 HydrophobicContact CG2-CG2 4.32Å; E173-T196 WeakPolarHBondContact O-CA 3.18Å; T174-T196 HydrophobicContact CG2-CG2 3.85Å; T174-T196 WeakPolarHBondContact CG2-OG1 3.4Å
197R96.3Very high92.2Very high134 Ų134106.4 Ų106.451%0.50653%0.533SS..EExtended strand (participates in β ladder)trans-125151.2177.7-165178.272.8170.61.9111.4W156 T172 E173W156-R197 HydrophobicContact CH2-CB 3.73Å; W156-R197 HydrophobicContact CZ2-CB 4.45Å; W156-R197 HydrophobicContact CZ3-CB 3.88Å; T172-R197 CarbonylContact C-O 3.5Å; T172-R197 VanDerWaalsContact CA-O 3.23Å; T172-R197 WeakPolarHBondContact CA-O 3.47Å; E173-R197 HydrophobicContact CG-CB 4.22Å; E173-R197 PolarHBondContact N-O 3.07Å; E173-R197 PolarHBondContact O-N 3.31Å; E173-R197 IonicContact OE1-CZ 2.92Å; E173-R197 IonicContact OE1-NE 3.1Å; E173-R197 PolarHBondContact OE1-NE 2.93Å; E173-R197 IonicContact OE1-NH2 2.76Å; E173-R197 PolarHBondContact OE1-NH2 2.95Å
198K97.1Very high91.4Very high185 Ų185115.4 Ų115.480%0.80457%0.568SS**EExtended strand (participates in β ladder)trans-76.2136.4170.2-65175.6-175.6169.70109.6G171G171-K198 WeakPolarHBondContact O-CA 3.35Å
199C94.9Very high89.9Confident12 Ų12113.6 Ų113.68%0.08157%0.574CS.*EExtended strand (participates in β ladder)trans-129.1152.2179.4480000110.9C159 R170 G171 T172 E173C159-C199 WeakPolarHBondContact CA-SG 3.24Å; C159-C199 HydrophobicContact CB-CB 3.85Å; C159-C199 WeakPolarHBondContact CB-SG 3.4Å; C159-C199 WeakPolarHBondContact SG-CB 3.42Å; C159-C199 CovalentContact SG-SG 2.01Å; C159-C199 PolarHBondContact SG-SG 2.83Å; R170-C199 WeakPolarHBondContact CA-O 3.18Å; G171-C199 PolarHBondContact N-O 3.3Å; G171-C199 PolarHBondContact O-N 3.07Å; G171-C199 PolarHBondContact O-SG 3.05Å; T172-C199 VanDerWaalsContact CA-SG 3.54Å; T172-C199 PolarHBondContact N-SG 2.9Å; T172-C199 VanDerWaalsContact N-SG 3.39Å; E173-C199 HydrophobicContact CG-CB 4.08Å
200T94.9Very high87.8Confident102 Ų102115.3 Ų115.363%0.62658%0.578SS**EExtended strand (participates in β ladder)trans-122.8125.9176.8-57.30000108.9K169K169-T200 HydrophobicContact CG-CG2 4.22Å; K169-T200 CarbonylContact O-C 3.56Å; K169-T200 VanDerWaalsContact O-CA 3.26Å; K169-T200 WeakPolarHBondContact O-CA 3.36Å; K169-T200 WeakPolarHBondContact O-CG2 3.48Å
201V93.4Very high85.6Confident50 Ų50124.6 Ų124.630%0.30361%0.606SS.*  trans-128.6159.2-177.6-64.50000111C159 F168 K169C159-V201 HydrophobicContact CB-CG1 3.61Å; F168-V201 HydrophobicContact CD2-CG2 3.93Å; F168-V201 HydrophobicContact CE2-CG2 3.48Å; F168-V201 VanDerWaalsContact CE2-CG2 3.48Å; F168-V201 HydrophobicContact CZ-CG2 4.12Å; K169-V201 WeakPolarHBondContact CA-O 3.24Å; K169-V201 PolarHBondContact O-N 3.47Å
202Q90.4Very high83.2Confident164 Ų164125.7 Ų125.777%0.76663%0.627SS**  trans-68.5136172.1-64.4-63.6-5.600110.5K204Q202-K204 PolarHBondContact O-N 3.05Å
203R88.4Confident80.8Confident194 Ų194131.4 Ų131.473%0.73264%0.643SS**  trans-75.689.5-173.6-162.9173.280.7166.83.5110.9
204K86.8Confident78.1Confident159 Ų159138.9 Ų138.969%0.69167%0.671SS**PPolyproline II helixtrans-77.5140.2173.5-62.9-177.8-178.3-178.50111.1G167 Q202G167-K204 WeakPolarHBondContact CA-O 3.45Å; G167-K204 PolarHBondContact N-O 3.3Å; Q202-K204 PolarHBondContact O-N 3.05Å
205K84.6Confident75.5Confident204 Ų204137.5 Ų137.589%0.88768%0.682SS**PPolyproline II helixtrans-67.5130.3171.9-76.2-178.4-179.81750109.1Q207K205-Q207 PolarHBondContact O-N 3.33Å
206C85.8Confident72.7Confident59 Ų59146.1 Ų146.140%0.39971%0.711SS.*PPolyproline II helixtrans-70.3127.6171.9-650000109.7C166 K208C166-C206 HydrophobicContact CB-CB 4.09Å; C166-C206 WeakPolarHBondContact CB-SG 3.42Å; C166-C206 PolarHBondContact O-SG 3.43Å; C166-C206 VanDerWaalsContact O-SG 3.39Å; C166-C206 WeakPolarHBondContact SG-CA 3.29Å; C166-C206 WeakPolarHBondContact SG-CB 3.33Å; C166-C206 CovalentContact SG-SG 2.04Å; C166-C206 PolarHBondContact SG-SG 2.04Å; C206-K208 PolarHBondContact O-N 2.84Å
207Q81.3Confident70.2Confident193 Ų193150.7 Ų150.790%0.90273%0.726SS**PPolyproline II helixtrans-66.9122.8167.7-68.7-175.9-3.800108K205 G209K205-Q207 PolarHBondContact O-N 3.33Å; Q207-G209 PolarHBondContact O-N 3.4Å
208K72.3Confident67.8Low206 Ų206155.8 Ų155.890%0.89675%0.746SS**PPolyproline II helixtrans-69.1117.9170.4-77.4-179.5176.9176.80106.3C206 E210C206-K208 PolarHBondContact O-N 2.84Å; K208-E210 PolarHBondContact O-N 2.84Å
209G59.7Low65.1Low66 Ų66156.7 Ų156.768%0.6875%0.75SS**PPolyproline II helixtrans-50.9136.6171.200000110.3Q207 R211Q207-G209 PolarHBondContact O-N 3.4Å; G209-R211 PolarHBondContact O-N 2.74Å
210E46.7Very low62.6Low198 Ų198167.9 Ų167.993%0.92579%0.79SS**  trans-56.8101.2178.3-67.5-176.7131.800109.7K208 G212K208-E210 PolarHBondContact O-N 2.84Å; E210-G212 PolarHBondContact O-N 2.9Å
211R48.4Very low59.7Low237 Ų237173.2 Ų173.289%0.89481%0.805SS**  trans-70.6112.5160.4-74.8-177.7175.6-178.7-3.6106.3G209 K213G209-R211 PolarHBondContact O-N 2.74Å; R211-K213 PolarHBondContact O-N 3.45Å
212G45.6Very low57Low73 Ų73180.5 Ų180.575%0.75383%0.832SS**  trans-43.8125.4178.600000112.5E210 K214E210-G212 PolarHBondContact O-N 2.9Å; G212-K214 PolarHBondContact O-N 3.16Å
213K44.1Very low54.8Low210 Ų210178 Ų17891%0.91383%0.83SS**  trans-69.7103.4171.1-72.3175.2177.9172.20108.6R211R211-K213 PolarHBondContact O-N 3.45Å
214K40.4Very low52Low208 Ų208176 Ų17690%0.90483%0.834SS**  trans-91.1122.2151-80.7-168.3176.5-176.70108.1G212G212-K214 PolarHBondContact O-N 3.16Å
215G40.1Very low49.4Very low76 Ų76178.1 Ų178.178%0.78484%0.843SS**  trans-58.9143.6-170.800000113.6
216R40Very low46.7Very low251 Ų251171.5 Ų171.595%0.94783%0.833SS**  trans-92.694.9164-89.6-177.8169178.4-3.3108.3
217E42.3Very low44Very low184 Ų184177.5 Ų177.586%0.8686%0.855SS**  trans-74.7129.6161.9-155.5172.918000108.6
218R46.3Very low41.5Very low241 Ų241173.1 Ų173.191%0.90985%0.846SS**  trans-84.5113.4-179.8-75176.1170.5178.7-2.5109.5
219K39.8Very low39.4Very low204 Ų204171.8 Ų171.889%0.88784%0.84SS**  trans-140.5120.1149.1-78.8-171.1178.6167.10111
220R43.2Very low37.8Very low246 Ų246177.2 Ų177.293%0.92885%0.848SS**  trans-79.2134.6167.3-83.7176.4164.7175.8-5.3108.9
221K34Very low36.8Very low215 Ų215172.6 Ų172.694%0.93584%0.844SS**  trans-166.7128.7139-102.2174.6-175-173.10108.8
222K36.4Very low36.3Very low202 Ų202169 Ų16988%0.87884%0.841SS**  trans-110.8160.5164.1-102-173.5177.2-174.10105.7
223P44.2Very low36.2Very low113 Ų113170.4 Ų170.473%0.73484%0.836SS**  cis-153.4170.641.441.5-19.6000119.2
224N30.5Very low35.4Very low151 Ų151167.6 Ų167.681%0.80783%0.831SS**  trans65.9139.1138.3-97.2-1.2000127.8
225K31.3Very low35.4Very low203 Ų203162.9 Ų162.988%0.88382%0.824SS**  trans75.7127.8145.5-111.1175.7171-177.20117.4
226G27.8Very low34.9Very low66 Ų66169.4 Ų169.468%0.6883%0.831SS**  cis-177.4166.82.900000111.8
227E29.3Very low34.4Very low184 Ų184161.5 Ų161.586%0.8683%0.828SS**  trans53.4107.9155.7-75.8167.2121.400121.1
228S28.6Very low34.1Very low101 Ų101160.6 Ų160.671%0.70683%0.828SS**  111136.886.669.60000108.7
229K28.7Very low33.3Very low179 Ų179158.6 Ų158.678%0.77883%0.829SS**  cis-154153.731.5-67.3178.2174.7-178.70113.1
230E25.9Very low32.9Very low180 Ų180154.1 Ų154.184%0.84182%0.824SS**  trans64.3128.5141.9-79.5169.5141.100126.3
231A25.3Very low32.6Very low101 Ų101147.9 Ų147.984%0.83582%0.818SS**  trans109.7119.2136.900000119.7
232I37.7Very low32.9Very low162 Ų162147.5 Ų147.583%0.83182%0.816SS**  trans-121.1151.8160-63.5178.2000104.3
233P45.1Very low33.1Very low101 Ų101142 Ų14266%0.65679%0.793SS**  cis-133.8169.217.515.712000114.9
234D27Very low33.2Very low151 Ų151140.1 Ų140.181%0.80778%0.78SS**  168153.589.8-125.8-32.9000114.1
235S40.5Very low33.9Very low109 Ų109138 Ų13876%0.76278%0.775SS**  trans-98.7120.3-179.1-500000110.7
236K29.3Very low34.6Very low213 Ų213135.7 Ų135.793%0.92677%0.767SS**  trans-146.3100.9157-80.4-171.2-178.6167.10111.1
237G28.4Very low35.4Very low86 Ų86137.8 Ų137.889%0.88776%0.759SS**  trans-111.394.6158.100000108.3
238L37.1Very low36.3Very low165 Ų165136.5 Ų136.586%0.86475%0.746SS**  trans-96.5112.3171.1-156.488.3000105.8
239E29Very low37.3Very low199 Ų199138 Ų13893%0.9374%0.742SS**  trans-120.7117.2164.3-113.2-179.4166.800110
240S31.2Very low38.4Very low110 Ų110134.6 Ų134.677%0.76973%0.732SS**PPolyproline II helixtrans-90.4129.1-173.21750000109.1K242S240-K242 PolarHBondContact O-N 3.19Å
241S37.8Very low39.5Very low115 Ų115131.4 Ų131.480%0.80472%0.716SS**PPolyproline II helixtrans-63123.4175.9-51.20000111.3
242K39.1Very low40.9Very low206 Ų206132.9 Ų132.990%0.89671%0.705SS**PPolyproline II helixtrans-65.8126.6173.9-94.3174.7172.4172.80111.4S240S240-K242 PolarHBondContact O-N 3.19Å
243E40.5Very low41.6Very low86 Ų86130.7 Ų130.740%0.40269%0.692SS.*PPolyproline II helixtrans-68.7142.2168.9-70.3178.1149.400111.1K251E243-K251 IonicContact OE1-NZ 2.77Å; E243-K251 PolarHBondContact OE1-NZ 2.86Å
244T47.6Very low42Very low75 Ų75132 Ų13246%0.4669%0.689SS.*PPolyproline II helixtrans-74.8153.3176360000112.5E246 Q247 R248T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.06Å; T244-Q247 WeakPolarHBondContact O-CB 3.4Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-OE1 3.19Å; T244-R248 PolarHBondContact O-N 2.81Å
245P43.8Very low43.1Very low106 Ų106132.2 Ų132.269%0.68868%0.683SS**Hα-helixtrans-56.1-39.6-177.4-26.435.2000114.7Q247 R248 E249P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.84Å; P245-R248 WeakPolarHBondContact O-CB 3.3Å; P245-R248 PolarHBondContact O-N 3.02Å; P245-R248 VanDerWaalsContact O-N 3.11Å; P245-E249 PolarHBondContact O-N 2.85Å
246E47.1Very low43.6Very low155 Ų155134.2 Ų134.272%0.72468%0.678SS**Hα-helixtrans-61.6-33.4174.9-96.1175.9137.700113.3T244 R248 N250T244-E246 VanDerWaalsContact C-N 3.34Å; T244-E246 PolarHBondContact O-N 3.06Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.91Å; E246-N250 PolarHBondContact O-N 2.92Å
247Q44.5Very low44.9Very low109 Ų109132.5 Ų132.551%0.50967%0.665SS.*Hα-helixtrans-72.3-25.7177.8-67.7178.8-11.200111.8T244 P245 K251T244-Q247 WeakPolarHBondContact O-CB 3.4Å; T244-Q247 PolarHBondContact O-N 2.9Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T244-Q247 PolarHBondContact OG1-OE1 3.19Å; P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.84Å; Q247-K251 WeakPolarHBondContact O-CB 3.36Å; Q247-K251 PolarHBondContact O-N 2.8Å
248R47.5Very low45.9Very low157 Ų157135.8 Ų135.859%0.59266%0.655SS**Hα-helixtrans-76.7-39.3176.4-76.1-178.7171.6-175-2.4112.4T244 P245 E246 K251 Q252T244-R248 PolarHBondContact O-N 2.81Å; P245-R248 WeakPolarHBondContact O-CB 3.3Å; P245-R248 PolarHBondContact O-N 3.02Å; P245-R248 VanDerWaalsContact O-N 3.11Å; E246-R248 VanDerWaalsContact C-N 3.29Å; E246-R248 PolarHBondContact O-N 2.91Å; R248-K251 PolarHBondContact O-N 3.27Å; R248-Q252 PolarHBondContact O-N 3.01Å; R248-Q252 VanDerWaalsContact O-N 3.11Å
249E51.1Low46.9Very low134 Ų134132.1 Ų132.163%0.62664%0.64SS**Hα-helixtrans-66.2-44.5177.1-71.8-171.915000111.4P245 K251 Q252 Q253P245-E249 PolarHBondContact O-N 2.85Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.9Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; E249-Q253 PolarHBondContact O-N 3.44Å
250N50.1Low48.1Very low106 Ų106128.8 Ų128.857%0.56762%0.624SS**Hα-helixtrans-62.6-36.2178.6-116.8-29.9000112.8E246 Q254E246-N250 PolarHBondContact O-N 2.92Å; N250-Q254 WeakPolarHBondContact O-CB 3.3Å; N250-Q254 PolarHBondContact O-N 3.12Å
251K50.3Low49.2Very low113 Ų113129.2 Ų129.249%0.49162%0.618SS.*Hα-helixtrans-71.4-35.1176.7-133.9173.3-169.2174.60112.1E243 Q247 R248 E249 K255E243-K251 IonicContact OE1-NZ 2.77Å; E243-K251 PolarHBondContact OE1-NZ 2.86Å; Q247-K251 WeakPolarHBondContact O-CB 3.36Å; Q247-K251 PolarHBondContact O-N 2.8Å; R248-K251 PolarHBondContact O-N 3.27Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.9Å; K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 2.96Å; K251-K255 VanDerWaalsContact O-N 3.12Å
252Q53.8Low49.9Very low132 Ų132131.9 Ų131.962%0.61762%0.615SS**Hα-helixtrans-71.5-38.5175-83.5-175.4-8.700112.1R248 E249 K255 K256R248-Q252 PolarHBondContact O-N 3.01Å; R248-Q252 VanDerWaalsContact O-N 3.11Å; E249-Q252 PolarHBondContact O-N 2.86Å; E249-Q252 VanDerWaalsContact O-N 3.16Å; Q252-K255 PolarHBondContact O-N 2.04Å; Q252-K256 PolarHBondContact O-N 3.14Å
253Q53.3Low50.6Low117 Ų117128.4 Ų128.455%0.54760%0.602SS.*Hα-helixtrans-68.6-40.2176.6-116.8163.5-3.500112.4E249 K256 R257E249-Q253 PolarHBondContact O-N 3.44Å; Q253-K256 PolarHBondContact O-N 2.03Å; Q253-R257 WeakPolarHBondContact O-CG 3.4Å; Q253-R257 PolarHBondContact O-N 3.25Å; Q253-R257 VanDerWaalsContact O-N 3.08Å
254Q53.2Low51.1Low127 Ų127130.7 Ų130.759%0.59361%0.612SS**Hα-helixtrans-65.3-36172.6-85.9-175.5-12.300113.1N250 K258N250-Q254 WeakPolarHBondContact O-CB 3.3Å; N250-Q254 PolarHBondContact O-N 3.12Å; Q254-K258 WeakPolarHBondContact O-CG 3.49Å; Q254-K258 PolarHBondContact O-N 2.97Å; Q254-K258 VanDerWaalsContact O-N 3.14Å
255K50.9Low51.3Low157 Ų157134.9 Ų134.968%0.68362%0.624SS**Hα-helixtrans-68.1-40.6174.8-87.9-175175.2-176.70112.1K251 Q252 K258 V259K251-K255 WeakPolarHBondContact O-CB 3.44Å; K251-K255 PolarHBondContact O-N 2.96Å; K251-K255 VanDerWaalsContact O-N 3.12Å; Q252-K255 PolarHBondContact O-N 2.04Å; K255-K258 PolarHBondContact O-N 2.77Å; K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 2.78Å
256K51.1Low51.8Low150 Ų150132.8 Ų132.865%0.65261%0.612SS**Hα-helixtrans-63.9-42176.4-76.5-177.4177.3-178.90112.3Q252 Q253 K258 V259 Q260Q252-K256 PolarHBondContact O-N 3.14Å; Q253-K256 PolarHBondContact O-N 2.03Å; K256-K258 PolarHBondContact O-N 3.09Å; K256-V259 PolarHBondContact O-N 2.84Å; K256-Q260 PolarHBondContact O-N 3.11Å
257R55.8Low51.8Low177 Ų177127.1 Ų127.167%0.66860%0.596SS**Hα-helixtrans-63.5-39.7175.6-71.7-178.1-177.9-174.21.7112.8Q253 V259 Q260 D261Q253-R257 WeakPolarHBondContact O-CG 3.4Å; Q253-R257 PolarHBondContact O-N 3.25Å; Q253-R257 VanDerWaalsContact O-N 3.08Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 2.86Å; R257-Q260 PolarHBondContact O-N 2.8Å; R257-D261 PolarHBondContact O-N 3.29Å
258K49.5Very low52.2Low155 Ų155126.4 Ų126.467%0.67459%0.594SS**Hα-helixtrans-68.7-27.1177-78.9-175.3177-177.30114.5Q254 K255 K256 K262Q254-K258 WeakPolarHBondContact O-CG 3.49Å; Q254-K258 PolarHBondContact O-N 2.97Å; Q254-K258 VanDerWaalsContact O-N 3.14Å; K255-K258 PolarHBondContact O-N 2.77Å; K256-K258 PolarHBondContact O-N 3.09Å; K258-K262 WeakPolarHBondContact O-CB 3Å; K258-K262 PolarHBondContact O-N 2.03Å
259V58Low52.3Low89 Ų89126.1 Ų126.154%0.53960%0.599SS.*Hα-helixtrans-77.9-39175.9175.30000110.6K255 K256 R257 K262 Q263K255-V259 WeakPolarHBondContact O-CG2 3.42Å; K255-V259 PolarHBondContact O-N 2.78Å; K256-V259 PolarHBondContact O-N 2.84Å; R257-V259 VanDerWaalsContact C-N 3.34Å; R257-V259 PolarHBondContact O-N 2.86Å; V259-K262 PolarHBondContact O-N 2.84Å; V259-Q263 PolarHBondContact O-N 2.82Å; V259-Q263 VanDerWaalsContact O-N 3.12Å
260Q53.3Low52.4Low129 Ų129124 Ų12460%0.60360%0.596SS**Hα-helixtrans-64.7-43.9175-79.8178.7-30.800112.5K256 R257 K262 Q263 Q264K256-Q260 PolarHBondContact O-N 3.11Å; R257-Q260 PolarHBondContact O-N 2.8Å; Q260-K262 PolarHBondContact O-N 2.97Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q260-Q264 PolarHBondContact O-N 3.18Å
261D54.6Low52.4Low119 Ų119123.5 Ų123.564%0.63660%0.596SS**Hα-helixtrans-61.6-33.1175.1-100.9-9.9000112.5R257 K265R257-D261 PolarHBondContact O-N 3.29Å; D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 3.23Å; D261-K265 VanDerWaalsContact O-N 3.07Å
262K53Low52.5Low171 Ų171123.6 Ų123.674%0.74360%0.602SS**Hα-helixtrans-74.5-34.1179.7-154.7175.4-176.6-174.10112.2K258 V259 Q260 S266K258-K262 WeakPolarHBondContact O-CB 3Å; K258-K262 PolarHBondContact O-N 2.03Å; V259-K262 PolarHBondContact O-N 2.84Å; Q260-K262 PolarHBondContact O-N 2.97Å; K262-S266 PolarHBondContact O-N 3.29Å; K262-S266 PolarHBondContact O-OG 2.79Å
263Q53.9Low52.3Low133 Ų133120.7 Ų120.762%0.62160%0.6SS**Hα-helixtrans-73.5-34.3173.7-88.1170.9-43.900112.7V259 Q260 S266 G267V259-Q263 PolarHBondContact O-N 2.82Å; V259-Q263 VanDerWaalsContact O-N 3.12Å; Q260-Q263 PolarHBondContact O-N 3.24Å; Q263-S266 WeakPolarHBondContact CA-OG 3.46Å; Q263-S266 PolarHBondContact O-OG 3.11Å; Q263-G267 PolarHBondContact O-N 2.03Å; Q263-G267 VanDerWaalsContact O-N 3.08Å
264Q50.8Low52.1Low133 Ų133122.1 Ų122.162%0.62161%0.607SS**Hα-helixtrans-73.6-34.8177.9-161.41410.600111.9Q260 G267 I268Q260-Q264 PolarHBondContact O-N 3.18Å; Q264-G267 PolarHBondContact O-N 3.1Å; Q264-I268 HydrophobicContact CG-CD1 4.36Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.28Å; Q264-I268 WeakPolarHBondContact O-CG1 3.44Å; Q264-I268 PolarHBondContact O-N 3.36Å
265K52.6Low51.7Low164 Ų164118.3 Ų118.371%0.71360%0.602SS**Hα-helixtrans-71.4-34.7175.5-150.9171.5-172.5-179.20113D261 E269D261-K265 WeakPolarHBondContact O-CB 3.43Å; D261-K265 PolarHBondContact O-N 3.23Å; D261-K265 VanDerWaalsContact O-N 3.07Å; K265-E269 PolarHBondContact O-N 3.05Å
266S52.8Low51.6Low61 Ų61117.9 Ų117.943%0.42761%0.606SS.*Hα-helixtrans-73.8-29.317357.50000113.5K262 Q263 V270K262-S266 PolarHBondContact O-N 3.29Å; K262-S266 PolarHBondContact O-OG 2.79Å; Q263-S266 WeakPolarHBondContact CA-OG 3.46Å; Q263-S266 PolarHBondContact O-OG 3.11Å; S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 2.81Å
267G47.5Very low51.3Low37 Ų37116.9 Ų116.938%0.38161%0.613SS.*Hα-helixtrans-71.7-36.4177.100000113.5Q263 Q264 E269 V270 T271Q263-G267 PolarHBondContact O-N 2.03Å; Q263-G267 VanDerWaalsContact O-N 3.08Å; Q264-G267 PolarHBondContact O-N 3.1Å; G267-E269 VanDerWaalsContact C-N 3.34Å; G267-V270 PolarHBondContact O-N 2.77Å; G267-T271 PolarHBondContact O-N 2.75Å; G267-T271 PolarHBondContact O-OG1 2.66Å
268I53.4Low50.8Low94 Ų94113.1 Ų113.148%0.48261%0.614SS.*Hα-helixtrans-70.6-32.6178.3-66.5165.2000111.4Q264 T271 L272Q264-I268 HydrophobicContact CG-CD1 4.36Å; Q264-I268 WeakPolarHBondContact O-CD1 3.45Å; Q264-I268 VanDerWaalsContact O-CG1 3.28Å; Q264-I268 WeakPolarHBondContact O-CG1 3.44Å; Q264-I268 PolarHBondContact O-N 3.36Å; I268-T271 PolarHBondContact O-OG1 3.23Å; I268-T271 VanDerWaalsContact O-OG1 3.07Å; I268-L272 HydrophobicContact CG2-CD1 4.25Å; I268-L272 PolarHBondContact O-N 2.94Å
269E49.9Very low50.8Low150 Ų150112.3 Ų112.370%0.70162%0.621SS**Hα-helixtrans-72.2-28.7179.3-145.8167.4-160.500112.2K265 G267K265-E269 PolarHBondContact O-N 3.05Å; G267-E269 VanDerWaalsContact C-N 3.34Å
270V51.9Low50.3Low90 Ų90113.1 Ų113.155%0.54563%0.631SS.*Hα-helixtrans-78.7-37.1175.7178.70000111.8S266 G267 L272 A273S266-V270 WeakPolarHBondContact O-CG2 3.22Å; S266-V270 PolarHBondContact O-N 2.81Å; G267-V270 PolarHBondContact O-N 2.77Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.43Å; V270-A273 PolarHBondContact O-N 3.15Å
271T50.8Low49.7Very low95 Ų95114.4 Ų114.458%0.58364%0.637SS**Hα-helixtrans-72.3-23.117849.50000114G267 I268G267-T271 PolarHBondContact O-N 2.75Å; G267-T271 PolarHBondContact O-OG1 2.66Å; I268-T271 PolarHBondContact O-OG1 3.23Å; I268-T271 VanDerWaalsContact O-OG1 3.07Å
272L51.5Low49.1Very low116 Ų116118.2 Ų118.261%0.60764%0.642SS**Hα-helixtrans-79.3-21.7175.3-105.3146.5000113I268 V270I268-L272 HydrophobicContact CG2-CD1 4.25Å; I268-L272 PolarHBondContact O-N 2.94Å; V270-L272 VanDerWaalsContact C-N 3.33Å; V270-L272 PolarHBondContact O-N 3.43Å
273A49.7Very low48.6Very low71 Ų71117.1 Ų117.159%0.58765%0.65SS**Hα-helixtrans-78.8-30.2176.400000112.8V270V270-A273 PolarHBondContact O-N 3.15Å
274E49.6Very low48.1Very low146 Ų146118.7 Ų118.768%0.68266%0.658SS**Hα-helixtrans-83.4-16.9179.1-64.7-174.6158.100113.5T277E274-T277 PolarHBondContact O-OG1 3.17Å
275G45.4Very low48Very low47 Ų47118.2 Ų118.249%0.48567%0.666SS.*THydrogen-bonded Turntrans-83.7-7.9-178.800000116
276L47.8Very low47.8Very low149 Ų149116.9 Ų116.978%0.7867%0.672SS**THydrogen-bonded Turntrans-98.8-1.5-177.8-79.5164.5000114.3
277T45.8Very low47.7Very low129 Ų129119.9 Ų119.979%0.79169%0.69SS**SBendtrans-98.73178.633.70000115.6E274E274-T277 PolarHBondContact O-OG1 3.17Å
278S44.8Very low47.5Very low98 Ų98124.2 Ų124.269%0.68571%0.713SS**SBendtrans-112.910.1-175.366.80000116.4
279V49.3Very low47.1Very low137 Ų137131.9 Ų131.983%0.8374%0.736SS**SBendtrans-116.166.9175.6-167.90000110.9
280S47.6Very low47Very low106 Ų106135.4 Ų135.474%0.74174%0.743SS**  trans-162.6138154.1-166.30000109
281Q41.6Very low46.9Very low157 Ų157142.4 Ų142.473%0.73476%0.759SS**  trans89.9120.1-177-54.3-176.827.900113.9
282R41Very low46.6Very low198 Ų198147.5 Ų147.575%0.74777%0.769SS**  cis-155.3128.910.4-88.7154.7-150.8-172.95.5108.2
283T43.9Very low46.4Very low149 Ų149153.5 Ų153.591%0.91480%0.801SS**PPolyproline II helixtrans-87.4118.1149.8320000107.3
284Q42.3Very low46.3Very low166 Ų166157.6 Ų157.678%0.77681%0.811SS**PPolyproline II helixtrans-93138.7169.9-75-168.2-11.800109.9
285P47.8Very low46.1Very low122 Ų122158.2 Ų158.279%0.79282%0.818SS**PPolyproline II helixtrans-83.3142.6173.332.6-30.2000111.2
286T48.8Very low46.1Very low136 Ų136164.4 Ų164.483%0.83484%0.837SS**PPolyproline II helixtrans-67.3139.217333.10000111.8
287P50.3Low46Very low125 Ų125165.3 Ų165.381%0.81284%0.84SS**PPolyproline II helixtrans-88.4130.9175.131.8-28.9000112
288C43.3Very low46.1Very low128 Ų128167.6 Ų167.687%0.86584%0.843SS**PPolyproline II helixtrans-59.1126.2168.1-78.10000111.8R290C288-R290 PolarHBondContact O-N 3.43Å
289R46Very low46.1Very low255 Ų255172.2 Ų172.296%0.96285%0.854SS**  trans-78.6110.1165.1-110.3-178.6177-171.7-0.7109.5
290R47.9Very low45.9Very low224 Ų224174.7 Ų174.785%0.84586%0.855SS**  trans-84.4126.2161.9-98.3-178.7179.8177.80.2109.5C288C288-R290 PolarHBondContact O-N 3.43Å
291R48.7Very low45.8Very low236 Ų236180 Ų18089%0.89186%0.864SS**  trans-64.2139.6157.7-74178.3-179.1-176-1.1109.1
292Y45.8Very low46.2Very low202 Ų202181.9 Ų181.979%0.79288%0.875SS**  trans-152.3129.1142.7-91.6-74.7000109.9
293L48Very low46.6Very low242 Ų242180.5 Ų180.5100%1.26789%0.886SS**  trans65.80164.7-62.3164.6000117.9

Retrieved 293 of 293 residues in 108.2 ms (Link to these results)