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Sclerostin

Negative regulator of bone growth that acts through inhibition of Wnt signaling and bone formation.

AlphaFold DB , UniProt , Accession Q99P68, Species MOUSE (Mus musculus, Mouse), Gene Sost, Length 211 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48Very low72.8Confident241 Ų241118.7 Ų118.7100%1.18768%0.679SS**  0101.90-69.5-178.2159.400107.3P3M1-P3 WeakPolarHBondContact O-CD 3.44Å
2Q60.5Low73.9Confident195 Ų195119.3 Ų119.391%0.91168%0.677SS**PPolyproline II helixtrans-73.7117.3177.5-80.5174.7-42.600108.3S4Q2-S4 PolarHBondContact O-N 3.48Å
3P64.2Low74.8Confident120 Ų120118.9 Ų118.978%0.77967%0.671SS**PPolyproline II helixtrans-66.3124.9171.428.1-30.9000107.7M1 L5M1-P3 WeakPolarHBondContact O-CD 3.44Å; P3-L5 PolarHBondContact O-N 3.4Å
4S68.3Low75.4Confident89 Ų89116.4 Ų116.462%0.62266%0.659SS**PPolyproline II helixtrans-56.8130.8176.140.70000109.3Q2 A6 P7Q2-S4 PolarHBondContact O-N 3.48Å; S4-A6 VanDerWaalsContact C-N 3.26Å; S4-A6 PolarHBondContact O-N 3.05Å; S4-P7 WeakPolarHBondContact O-CD 3.34Å
5L73.8Confident75.7Confident147 Ų147117.4 Ų117.477%0.7766%0.656SS**SBendtrans-76.2-12.3178.7-81.5161.1000113.2P3 L9P3-L5 PolarHBondContact O-N 3.4Å; L5-L9 PolarHBondContact O-N 3.1Å
6A76.2Confident75.8Confident63 Ų63113.9 Ų113.952%0.52165%0.647SS.*Hα-helixtrans-60.5-46.2-178.200000115.8S4 C8 L9 I10S4-A6 VanDerWaalsContact C-N 3.26Å; S4-A6 PolarHBondContact O-N 3.05Å; A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 3.12Å; A6-L9 PolarHBondContact O-N 2.92Å; A6-I10 WeakPolarHBondContact O-CG1 3.06Å; A6-I10 PolarHBondContact O-N 3.39Å
7P78.3Confident75.8Confident70 Ų70110.6 Ų110.646%0.45564%0.637SS.*Hα-helixtrans-68.3-31.8-178.427.9-32.6000112.5S4 I10 C11S4-P7 WeakPolarHBondContact O-CD 3.34Å; P7-I10 PolarHBondContact O-N 2.91Å; P7-C11 PolarHBondContact O-N 3.23Å
8C81.1Confident75.5Confident81 Ų81112.7 Ų112.755%0.54764%0.638SS.*Hα-helixtrans-65.7-40.4175.9-78.70000112.3A6 I10 C11 L12A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 3.12Å; C8-I10 VanDerWaalsContact C-N 3.34Å; C8-C11 PolarHBondContact O-N 3.06Å; C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.72Å; C8-L12 VanDerWaalsContact O-N 3.09Å
9L83.6Confident75.1Confident114 Ų114111.2 Ų111.260%0.59763%0.634SS**Hα-helixtrans-68.6-36.7-179.6-141.4121.8000111.4L5 A6 L12 L13L5-L9 PolarHBondContact O-N 3.1Å; A6-L9 PolarHBondContact O-N 2.92Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.06Å; L9-L13 PolarHBondContact O-N 3.26Å; L9-L13 VanDerWaalsContact O-N 3.1Å
10I83.5Confident74.5Confident109 Ų109109.1 Ų109.156%0.55963%0.631SS**Hα-helixtrans-65.2-44.2174.7-65165000110.6A6 P7 C8 L12 L13 V14A6-I10 WeakPolarHBondContact O-CG1 3.06Å; A6-I10 PolarHBondContact O-N 3.39Å; P7-I10 PolarHBondContact O-N 2.91Å; C8-I10 VanDerWaalsContact C-N 3.34Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.95Å; I10-L13 PolarHBondContact O-N 3.34Å; I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 WeakPolarHBondContact O-CG2 3.05Å; I10-V14 PolarHBondContact O-N 2.03Å
11C83.8Confident73.8Confident77 Ų77108.9 Ų108.952%0.5263%0.631SS.*Hα-helixtrans-59.5-42.7175.7-800000112.4P7 C8 L13 V14 H15P7-C11 PolarHBondContact O-N 3.23Å; C8-C11 PolarHBondContact O-N 3.06Å; C11-L13 PolarHBondContact O-N 3.34Å; C11-V14 PolarHBondContact O-N 2.84Å; C11-H15 PolarHBondContact O-CD2 2.86Å; C11-H15 VanDerWaalsContact O-CD2 3.31Å; C11-H15 PolarHBondContact O-N 2.88Å
12L85.4Confident74.2Confident126 Ų126104.9 Ų104.966%0.6661%0.61SS**Hα-helixtrans-64.3-39.9178.3-72.3172.2000112.4C8 L9 I10 H15 A16C8-L12 WeakPolarHBondContact O-CG 3.48Å; C8-L12 PolarHBondContact O-N 2.72Å; C8-L12 VanDerWaalsContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 2.88Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 2.95Å; L12-H15 PolarHBondContact O-N 2.89Å; L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.74Å
13L85.8Confident74Confident114 Ų11498.8 Ų98.860%0.59760%0.599SS**Hα-helixtrans-66.1-39.1176.5-72.2171.5000112.3L9 I10 C11 A16 A17L9-L13 HydrophobicContact CD2-CD1 4.34Å; L9-L13 WeakPolarHBondContact O-CG 3.06Å; L9-L13 PolarHBondContact O-N 3.26Å; L9-L13 VanDerWaalsContact O-N 3.1Å; I10-L13 PolarHBondContact O-N 3.34Å; C11-L13 PolarHBondContact O-N 3.34Å; L13-A16 PolarHBondContact O-N 2.82Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.85Å
14V83Confident73.5Confident83 Ų83100.6 Ų100.650%0.50360%0.597SS.*Hα-helixtrans-66.1-42176.71740000111.1I10 C11 A17 F18I10-V14 HydrophobicContact CG2-CG2 4.48Å; I10-V14 WeakPolarHBondContact O-CG2 3.05Å; I10-V14 PolarHBondContact O-N 2.03Å; C11-V14 PolarHBondContact O-N 2.84Å; V14-A17 PolarHBondContact O-N 2.8Å; V14-F18 PolarHBondContact O-N 2.89Å
15H79.3Confident72.8Confident132 Ų13299.3 Ų99.361%0.61160%0.598SS**Hα-helixtrans-64.4-41.9175.5-88.8-87.3000112.3C11 L12 A17 F18 C19C11-H15 PolarHBondContact O-CD2 2.86Å; C11-H15 VanDerWaalsContact O-CD2 3.31Å; C11-H15 PolarHBondContact O-N 2.88Å; L12-H15 PolarHBondContact O-N 2.89Å; H15-A17 VanDerWaalsContact C-N 3.34Å; H15-A17 PolarHBondContact O-N 2.88Å; H15-F18 PolarHBondContact O-N 2.81Å; H15-C19 PolarHBondContact O-N 2.8Å; H15-C19 PolarHBondContact O-SG 2.95Å; H15-C19 VanDerWaalsContact O-SG 3.35Å
16A78.5Confident72Confident62 Ų62104.2 Ų104.251%0.51261%0.607SS.*Hα-helixtrans-63.9-39.2176.300000112.2L12 L13 A20L12-A16 WeakPolarHBondContact O-CB 3.45Å; L12-A16 PolarHBondContact O-N 2.74Å; L13-A16 PolarHBondContact O-N 2.82Å; A16-A20 WeakPolarHBondContact O-CB 3.44Å; A16-A20 PolarHBondContact O-N 2.79Å; A16-A20 VanDerWaalsContact O-N 3.08Å
17A76.1Confident71.2Confident58 Ų58110.3 Ų110.348%0.47962%0.624SS.*Hα-helixtrans-66.9-38.7176.100000112.4L13 V14 H15 A20 V21L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 2.85Å; V14-A17 PolarHBondContact O-N 2.8Å; H15-A17 VanDerWaalsContact C-N 3.34Å; H15-A17 PolarHBondContact O-N 2.88Å; A17-A20 PolarHBondContact O-N 3.48Å; A17-V21 WeakPolarHBondContact O-CG2 3.49Å; A17-V21 PolarHBondContact O-N 2.83Å
18F68.9Low70.3Confident147 Ų147111.6 Ų111.665%0.64564%0.641SS**Hα-helixtrans-68.2-41.4177-120.1-94.6000112.2V14 H15 A20 V21 E22V14-F18 PolarHBondContact O-N 2.89Å; H15-F18 PolarHBondContact O-N 2.81Å; F18-A20 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.01Å; F18-V21 PolarHBondContact O-N 2.81Å; F18-E22 PolarHBondContact O-N 3.3Å
19C68.5Low68.9Low85 Ų85116.5 Ų116.557%0.57465%0.653SS**Hα-helixtrans-68-28.4176.4-67.80000113.1H15H15-C19 PolarHBondContact O-N 2.8Å; H15-C19 PolarHBondContact O-SG 2.95Å; H15-C19 VanDerWaalsContact O-SG 3.35Å
20A62.7Low67.3Low69 Ų69121.7 Ų121.757%0.5767%0.665SS**Hα-helixtrans-71.5-29.5174.900000112.9A16 A17 F18A16-A20 WeakPolarHBondContact O-CB 3.44Å; A16-A20 PolarHBondContact O-N 2.79Å; A16-A20 VanDerWaalsContact O-N 3.08Å; A17-A20 PolarHBondContact O-N 3.48Å; F18-A20 VanDerWaalsContact C-N 3.3Å; F18-A20 PolarHBondContact O-N 3.01Å
21V60.1Low66.3Low105 Ų105122.5 Ų122.564%0.63667%0.67SS**Hα-helixtrans-80.8-32.3-179.7170.10000112.3A17 F18 G23 Q24A17-V21 WeakPolarHBondContact O-CG2 3.49Å; A17-V21 PolarHBondContact O-N 2.83Å; F18-V21 PolarHBondContact O-N 2.81Å; V21-G23 PolarHBondContact O-N 2.98Å; V21-Q24 PolarHBondContact O-N 2.79Å
22E57.2Low65.2Low157 Ų157125.3 Ų125.373%0.73468%0.68SS**THydrogen-bonded Turntrans-69.7-14.8176.4-77.1-176.3155.400113.7F18F18-E22 PolarHBondContact O-N 3.3Å
23G56.3Low63.6Low67 Ų67123.9 Ų123.969%0.69169%0.687SS**THydrogen-bonded Turntrans-79-14.117600000115V21 G25V21-G23 PolarHBondContact O-N 2.98Å; G23-G25 PolarHBondContact O-N 2.77Å
24Q52.4Low62.4Low157 Ų157124.7 Ų124.773%0.73470%0.697SS**SBendtrans-9473.5175.7-86.7164-2700110V21 W26V21-Q24 PolarHBondContact O-N 2.79Å; Q24-W26 PolarHBondContact O-N 3.2Å
25G53.5Low61.5Low63 Ų63128.9 Ų128.965%0.64971%0.711SS**PPolyproline II helixtrans-52.3130.5168.900000110.5G23 Q27G23-G25 PolarHBondContact O-N 2.77Å; G25-Q27 PolarHBondContact O-N 2.9Å
26W57Low60.7Low250 Ų250128.9 Ų128.995%0.94772%0.72SS**PPolyproline II helixtrans-55.1128.6177.9-65.46.5000109.1Q24 A28Q24-W26 PolarHBondContact O-N 3.2Å; W26-A28 PolarHBondContact O-N 3.44Å
27Q59.6Low59.9Low190 Ų190132.8 Ų132.889%0.88873%0.73SS**PPolyproline II helixtrans-55.9127.4-179.7-76.1-152.8-14.900110.1G25 F29G25-Q27 PolarHBondContact O-N 2.9Å; Q27-F29 PolarHBondContact O-N 3.04Å; Q27-F29 VanDerWaalsContact O-N 3.08Å
28A60.2Low59.1Low98 Ų98135.2 Ų135.281%0.8174%0.741SS**  trans-62.6110.9177.900000109.4W26 R30W26-A28 PolarHBondContact O-N 3.44Å; A28-R30 PolarHBondContact O-N 3.45Å
29F52Low58.4Low183 Ų183131.7 Ų131.780%0.80375%0.747SS**  trans-75.4104.9175.7-147.7-94.3000108.2Q27 N31Q27-F29 PolarHBondContact O-N 3.04Å; Q27-F29 VanDerWaalsContact O-N 3.08Å; F29-N31 WeakPolarHBondContact CD1-OD1 3.4Å; F29-N31 WeakPolarHBondContact CE1-OD1 3.25Å
30R50.5Low57.8Low223 Ų223135.5 Ų135.584%0.84276%0.761SS**  trans-82116171.5-82.3-168-178.2-158.92108.6A28A28-R30 PolarHBondContact O-N 3.45Å
31N62.5Low57.1Low126 Ų126134.9 Ų134.967%0.67476%0.761SS**  trans-100.2105.7167.6-64.6-30.7000107.4F29 A33F29-N31 WeakPolarHBondContact CD1-OD1 3.4Å; F29-N31 WeakPolarHBondContact CE1-OD1 3.25Å; N31-A33 PolarHBondContact O-N 2.99Å
32D60Low56.6Low136 Ų136139.1 Ų139.173%0.72777%0.774SS**  trans-74112.4166-65.9-27.1000106.9T34D32-T34 PolarHBondContact O-N 2.88Å; D32-T34 VanDerWaalsContact O-N 3.09Å
33A51.6Low56.6Low97 Ų97141.3 Ų141.380%0.80278%0.777SS**  trans-67.1106.5176.500000108.8N31 E35N31-A33 PolarHBondContact O-N 2.99Å; A33-E35 PolarHBondContact O-N 2.89Å
34T61.2Low56.5Low130 Ų130143.6 Ų143.680%0.79878%0.78SS**  trans-83.4107.1173.637.20000109.9D32 V36D32-T34 PolarHBondContact O-N 2.88Å; D32-T34 VanDerWaalsContact O-N 3.09Å; T34-V36 PolarHBondContact O-N 2.84Å
35E63.8Low56.6Low171 Ų171145.1 Ų145.180%0.79979%0.787SS**  trans-77.6115.7167.6-60.9-172.1-176.300109A33 I37A33-E35 PolarHBondContact O-N 2.89Å; E35-I37 PolarHBondContact O-N 3.13Å
36V62.9Low57Low133 Ų133147.2 Ų147.281%0.80679%0.789SS**  trans-84.4100.5171.9-178.60000107.9T34 P38T34-V36 PolarHBondContact O-N 2.84Å; V36-P38 WeakPolarHBondContact O-CD 3.29Å
37I60.6Low57.1Low143 Ų143140.8 Ų140.873%0.73378%0.779SS**  trans-79.3117.4171.4-57.3171.9000107.5E35 G39E35-I37 PolarHBondContact O-N 3.13Å; I37-G39 PolarHBondContact O-N 3.3Å
38P59.2Low56.7Low109 Ų109137.9 Ų137.971%0.70878%0.777SS**  trans-67.7122.6177-9.224.1000109.1V36 L40V36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-L40 PolarHBondContact O-N 2.65Å
39G53.8Low56.3Low74 Ų74142.5 Ų142.576%0.76378%0.782SS**  trans-62.2115.4168.800000109.4I37 G41I37-G39 PolarHBondContact O-N 3.3Å; G39-G41 PolarHBondContact O-N 3.44Å; G39-G41 VanDerWaalsContact O-N 3.13Å
40L55.8Low56.4Low164 Ų164140.4 Ų140.486%0.85978%0.779SS**  trans-63.3110.4169.2-84.2151.8000107.8P38P38-L40 PolarHBondContact O-N 2.65Å
41G48.8Very low56.5Low56 Ų56136.1 Ų136.158%0.57777%0.773SS**  trans-59.7147.6-179.700000112.7G39 Y43G39-G41 PolarHBondContact O-N 3.44Å; G39-G41 VanDerWaalsContact O-N 3.13Å; G41-Y43 PolarHBondContact O-N 3.45Å
42E48.8Very low56.1Low195 Ų195139.7 Ų139.791%0.91179%0.785SS**  trans-41.4124.4178.5-94.7128137.500113.5
43Y57.3Low55.9Low202 Ų202139.5 Ų139.579%0.79279%0.79SS**PPolyproline II helixtrans-79.3142.3160.7-83.5-91.1000109.3G41 E45G41-Y43 PolarHBondContact O-N 3.45Å; Y43-E45 PolarHBondContact O-N 3.5Å
44P54.9Low56.2Low116 Ų116143.4 Ų143.475%0.75379%0.793SS**PPolyproline II helixtrans-68.4131.7-177.8-9.124000111.1P46P44-P46 WeakPolarHBondContact O-CD 3.32Å
45E55.5Low56.1Low189 Ų189145.5 Ų145.588%0.88380%0.8SS**PPolyproline II helixtrans-70.9123.4175.2-159.7-175.9154.900110.5Y43Y43-E45 PolarHBondContact O-N 3.5Å
46P61.9Low56.3Low107 Ų107148.9 Ų148.970%0.69581%0.805SS**PPolyproline II helixtrans-82.1151.8172.931.3-30.9000112P44P44-P46 WeakPolarHBondContact O-CD 3.32Å
47P58.4Low56.4Low114 Ų114146.5 Ų146.574%0.7480%0.8SS**PPolyproline II helixtrans-74.9164.8-168.631.9-36.3000113.8
48P51.5Low56.4Low130 Ų130149 Ų14984%0.84481%0.808SS**PPolyproline II helixtrans-80.5125.1-166.931.9-32.9000112.2
49E52Low56.6Low194 Ų194151.3 Ų151.391%0.90781%0.814SS**  trans-11198.6173.5-80.9-169.9155.900112.7
50N52.9Low56.9Low139 Ų139151.2 Ų151.274%0.74381%0.814SS**  trans14.5107.6143.3-158.816.2000120.5Q52N50-Q52 PolarHBondContact O-N 3.45Å
51N52Low56.9Low134 Ų134146.8 Ų146.872%0.71781%0.807SS**  trans27.683133.6-43.6-20000119.3
52Q54.5Low57.7Low200 Ų200154.6 Ų154.694%0.93582%0.82SS**  trans-174.2141.1134.5-102.2158.771.200109.8N50N50-Q52 PolarHBondContact O-N 3.45Å
53T56.6Low58.5Low133 Ų133150.1 Ų150.182%0.81681%0.807SS**  trans-73.3137.5-159.763.30000112.9
54M57.1Low58.8Low179 Ų179145.3 Ų145.388%0.88280%0.801SS**  trans-163.3124.2138.7-92.6-144.9-7100109.4R56M54-R56 PolarHBondContact O-N 2.79Å
55N60.3Low58.7Low174 Ų174147 Ų14793%0.9380%0.798SS**  trans-59102.4179.4-52.4-37.3000109.8
56R68.1Low58.8Low241 Ų241145.4 Ų145.491%0.90979%0.79SS**  trans-91.7116.9176.5-167.9174.1-177.7119.3-1.8108.9M54 E58M54-R56 PolarHBondContact O-N 2.79Å; R56-E58 PolarHBondContact O-N 2.93Å
57A63.4Low58.5Low84 Ų84144.5 Ų144.569%0.69479%0.785SS**  trans-66.4122.5173.400000109.6N59A57-N59 PolarHBondContact O-N 3.09Å
58E62Low58Low194 Ų194149.7 Ų149.791%0.90779%0.791SS**  trans-76.9106.6174.7-144.5178-174.100108.1R56 G60R56-E58 PolarHBondContact O-N 2.93Å; E58-G60 PolarHBondContact O-N 2.84Å
59N63.5Low58Low158 Ų158149.9 Ų149.985%0.84579%0.785SS**  trans-69.996.3172.1-82.8-2.9000108.1A57 G61A57-N59 PolarHBondContact O-N 3.09Å; N59-G61 PolarHBondContact O-N 3.4Å
60G59.1Low58Low73 Ų73144.1 Ų144.175%0.75377%0.771SS**  trans-59.898169.600000110.1E58 R62E58-G60 PolarHBondContact O-N 2.84Å; G60-R62 PolarHBondContact O-N 2.88Å
61G57.1Low58.1Low70 Ų70145.7 Ų145.772%0.72277%0.771SS**  trans-63.1103.9172.100000109.2N59 P63N59-G61 PolarHBondContact O-N 3.4Å; G61-P63 VanDerWaalsContact O-CD 3.31Å; G61-P63 WeakPolarHBondContact O-CD 3.38Å
62R63.9Low57.9Low221 Ų221147.1 Ų147.183%0.83478%0.778SS**  trans-65.3117.5172.5-165.4178.7-158-174.65.1107.7G60G60-R62 PolarHBondContact O-N 2.88Å
63P67.2Low58Low101 Ų101140.5 Ų140.566%0.65675%0.751SS**  trans-59.5147.9173.824.4-31.6000109G61 H65G61-P63 VanDerWaalsContact O-CD 3.31Å; G61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-H65 PolarHBondContact O-N 2.01Å
64P62.4Low58.3Low101 Ų101137.5 Ų137.566%0.65674%0.736SS**  trans-56.8115.2-179.722.3-30.8000108.8H66P64-H66 VanDerWaalsContact C-N 3.28Å; P64-H66 PolarHBondContact O-N 3.24Å
65H53.8Low58.6Low151 Ų151135.9 Ų135.970%0.69973%0.726SS**  trans-68.693.7171.1-173.9-77000106.4P63 P67P63-H65 PolarHBondContact O-N 2.01Å; H65-P67 WeakPolarHBondContact O-CD 3.4Å
66H57.1Low59.3Low155 Ų155133.7 Ų133.772%0.71871%0.706SS**  trans-69.3108166.5-70.2-62.7000106.5P64 Y68P64-H66 VanDerWaalsContact C-N 3.28Å; P64-H66 PolarHBondContact O-N 3.24Å; H66-Y68 PolarHBondContact O-N 2.75Å
67P55Low59.9Low88 Ų88123.5 Ų123.557%0.57167%0.672SS**  trans-61.7114.4170.727.8-29.3000105.6H65 D69H65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-D69 PolarHBondContact O-N 2.81Å
68Y49.1Very low61Low224 Ų224120.9 Ų120.988%0.87865%0.648SS**  trans-65.594162.3-138-90.5000104.1H66 A70H66-Y68 PolarHBondContact O-N 2.75Å; Y68-A70 PolarHBondContact O-N 2.74Å
69D50.4Low62.3Low134 Ų134116.3 Ų116.372%0.71762%0.622SS**  trans-6580.9164.7-88.6-25.3000105.7P67 K71P67-D69 PolarHBondContact O-N 2.81Å; D69-K71 PolarHBondContact O-N 2.8Å
70A52.2Low63.7Low73 Ų73112.7 Ų112.760%0.60360%0.6SS**  trans-62.177.7151.100000104.8Y68 D72Y68-A70 PolarHBondContact O-N 2.74Å; A70-D72 VanDerWaalsContact C-N 3.3Å; A70-D72 PolarHBondContact O-N 3.23Å
71K54.5Low65.3Low172 Ų172113.5 Ų113.575%0.74859%0.587SS**  trans-50.5109.2161.3-89-176.3176.3178.20103.6D69 V73D69-K71 PolarHBondContact O-N 2.8Å; K71-V73 VanDerWaalsContact O-CG2 3.25Å; K71-V73 WeakPolarHBondContact O-CG2 3.35Å; K71-V73 PolarHBondContact O-N 2.8Å
72D49.4Very low67Low163 Ų163116 Ų11687%0.87258%0.58SS**  trans-54.484178.2-79.8-44.3000108.5A70 S74A70-D72 VanDerWaalsContact C-N 3.3Å; A70-D72 PolarHBondContact O-N 3.23Å; D72-S74 VanDerWaalsContact C-N 3.34Å; D72-S74 PolarHBondContact O-N 3.21Å
73V55.3Low68.4Low61 Ų61112.2 Ų112.237%0.3757%0.566SS.*  trans-89.494.8-177.6178.10000104.9K71 E75 S77 R79K71-V73 VanDerWaalsContact O-CG2 3.25Å; K71-V73 WeakPolarHBondContact O-CG2 3.35Å; K71-V73 PolarHBondContact O-N 2.8Å; V73-E75 PolarHBondContact O-N 3.38Å; V73-S77 WeakPolarHBondContact CG1-OG 3.32Å; V73-R79 HydrophobicContact CG1-CG 3.79Å; V73-R79 VanDerWaalsContact CG1-NH2 3.3Å; V73-R79 PolarHBondContact O-NH2 3.25Å
74S62.5Low69.7Low70 Ų70111.6 Ų111.649%0.4956%0.561SS.*  trans-28.3124.9172.355.50000110.7D72 Y76 S77D72-S74 VanDerWaalsContact C-N 3.34Å; D72-S74 PolarHBondContact O-N 3.21Å; S74-Y76 PolarHBondContact O-N 3.35Å; S74-S77 PolarHBondContact O-N 3.4Å; S74-S77 PolarHBondContact O-OG 3.06Å; S74-S77 VanDerWaalsContact OG-CB 3.28Å; S74-S77 WeakPolarHBondContact OG-CB 3.28Å; S74-S77 PolarHBondContact OG-OG 3.49Å
75E65.2Low71.2Confident145 Ų145111.2 Ų111.268%0.67855%0.546SS*.THydrogen-bonded Turntrans-51.4-30.4-179-65.7177.6169.900111.2V73V73-E75 PolarHBondContact O-N 3.38Å
76Y73.5Confident73.1Confident128 Ų128108 Ų10850%0.50253%0.531SS..THydrogen-bonded Turntrans-103.858.7179-60.2-82.3000113.5S74 Q106S74-Y76 PolarHBondContact O-N 3.35Å; Y76-Q106 CarbonylContact C-O 3.54Å; Y76-Q106 WeakPolarHBondContact CA-O 3.38Å; Y76-Q106 HydrophobicContact CD1-CB 4.44Å
77S80.5Confident74.9Confident28 Ų28101.1 Ų101.120%0.19650%0.499CS..  trans-133.6145168.757.50000112.6V73 S74 R79 G105 Q106V73-S77 WeakPolarHBondContact CG1-OG 3.32Å; S74-S77 PolarHBondContact O-N 3.4Å; S74-S77 PolarHBondContact O-OG 3.06Å; S74-S77 VanDerWaalsContact OG-CB 3.28Å; S74-S77 WeakPolarHBondContact OG-CB 3.28Å; S74-S77 PolarHBondContact OG-OG 3.49Å; S77-R79 PolarHBondContact O-N 3.42Å; S77-G105 WeakPolarHBondContact O-CA 3.14Å; S77-Q106 CarbonylContact C-O 3.58Å; S77-Q106 PolarHBondContact N-O 2.99Å; S77-Q106 PolarHBondContact O-N 3.38Å
78C88.2Confident76.7Confident28 Ų28101.2 Ų101.219%0.18950%0.498CS..EExtended strand (participates in β ladder)trans-82.5107.1170.2-1790000108.3C132 C163 C165C78-C132 VanDerWaalsContact CA-SG 3.55Å; C78-C132 HydrophobicContact CB-CB 3.74Å; C78-C132 WeakPolarHBondContact CB-SG 3.42Å; C78-C132 VanDerWaalsContact SG-CA 3.53Å; C78-C132 WeakPolarHBondContact SG-CB 3.47Å; C78-C132 CovalentContact SG-SG 2.03Å; C78-C132 PolarHBondContact SG-SG 3.47Å; C78-C163 VanDerWaalsContact SG-CB 3.57Å; C78-C165 VanDerWaalsContact CB-SG 3.55Å
79R89.2Confident78.7Confident99 Ų9993.9 Ų93.937%0.37447%0.474SS..EExtended strand (participates in β ladder)trans-90.4146.5-177.2-54.5179.9-169.8-167.3-8.6111V73 S77 S104V73-R79 HydrophobicContact CG1-CG 3.79Å; V73-R79 VanDerWaalsContact CG1-NH2 3.3Å; V73-R79 PolarHBondContact O-NH2 3.25Å; S77-R79 PolarHBondContact O-N 3.42Å; R79-S104 WeakPolarHBondContact CA-O 3.3Å; R79-S104 WeakPolarHBondContact CB-O 3.39Å; R79-S104 PolarHBondContact N-O 3.43Å; R79-S104 PolarHBondContact O-N 3.02Å; R79-S104 VanDerWaalsContact O-O 3.07Å
80E92.5Very high80.7Confident81 Ų8190.9 Ų90.938%0.37947%0.474SS..EExtended strand (participates in β ladder)trans-101.9103.3174.9-62.5-173.3164.300109.1H82 L101 S162 C163E80-H82 PolarHBondContact O-ND1 3.29Å; E80-L101 HydrophobicContact CB-CD1 4.03Å; E80-L101 HydrophobicContact CB-CD2 3.97Å; E80-L101 HydrophobicContact CB-CG 4.12Å; E80-L101 HydrophobicContact CG-CD1 4.3Å; E80-L101 HydrophobicContact CG-CD2 4.09Å; E80-S162 WeakPolarHBondContact OE1-CA 3.42Å; E80-C163 HydrophobicContact CG-CB 3.96Å; E80-C163 PolarHBondContact OE1-N 3.37Å
81L92Very high82.6Confident91 Ų9192.2 Ų92.248%0.47648%0.477SS..EExtended strand (participates in β ladder)trans-89.1120.5176.1-63.8-179.6000109.6L101 V102 S104L81-L101 CarbonylContact O-C 3.14Å; L81-L101 WeakPolarHBondContact O-CA 3.04Å; L81-V102 HydrophobicContact CB-CB 4.4Å; L81-V102 PolarHBondContact N-O 3.49Å; L81-V102 PolarHBondContact O-N 3.31Å; L81-S104 WeakPolarHBondContact CD1-OG 3.42Å; L81-S104 WeakPolarHBondContact CG-OG 3.48Å
82H93Very high84.4Confident123 Ų12384.2 Ų84.257%0.56944%0.442SS*.EExtended strand (participates in β ladder)trans-94.6122.9178.6-67.286.3000109.8E80 E100E80-H82 PolarHBondContact O-ND1 3.29Å; H82-E100 WeakPolarHBondContact CA-O 3.39Å
83Y92.8Very high86.5Confident141 Ų14183.1 Ų83.155%0.55343%0.426SS*.EExtended strand (participates in β ladder)trans-119.7129.4177-178.7-111.5000110.3R85 T99 E100Y83-R85 HydrophobicContact CD1-CB 4.17Å; Y83-R85 HydrophobicContact CD1-CG 4.3Å; Y83-R85 HydrophobicContact CE1-CB 3.58Å; Y83-R85 HydrophobicContact CE1-CG 4.02Å; Y83-T99 CarbonylContact O-C 3.42Å; Y83-E100 PolarHBondContact N-O 3.45Å; Y83-E100 PolarHBondContact O-N 2.93Å
84T94.8Very high88.4Confident88 Ų8880.4 Ų80.454%0.5441%0.41SS..EExtended strand (participates in β ladder)trans-105.1122.6179.356.60000110.7V98 T99T84-V98 WeakPolarHBondContact CA-O 3.46Å; T84-T99 HydrophobicContact CG2-CG2 3.59Å
85R94.4Very high89.8Confident92 Ų9279.8 Ų79.835%0.34741%0.409SS..EExtended strand (participates in β ladder)trans-140.4156.7176.270-179.8-168.1103.23.8113.2Y83 P97 V98 E100Y83-R85 HydrophobicContact CD1-CB 4.17Å; Y83-R85 HydrophobicContact CD1-CG 4.3Å; Y83-R85 HydrophobicContact CE1-CB 3.58Å; Y83-R85 HydrophobicContact CE1-CG 4.02Å; R85-P97 WeakPolarHBondContact O-CA 3.5Å; R85-V98 PolarHBondContact N-O 2.74Å; R85-V98 PolarHBondContact O-N 3.43Å; R85-E100 HydrophobicContact CG-CG 4.48Å; R85-E100 IonicContact CZ-OE1 2.84Å; R85-E100 VanDerWaalsContact CZ-OE1 3.25Å; R85-E100 IonicContact CZ-OE2 2.88Å; R85-E100 IonicContact NE-OE1 2.65Å; R85-E100 PolarHBondContact NE-OE1 3.07Å; R85-E100 IonicContact NE-OE2 3.25Å; R85-E100 PolarHBondContact NE-OE2 2.9Å; R85-E100 IonicContact NH2-OE1 3.5Å; R85-E100 PolarHBondContact NH2-OE1 3.42Å; R85-E100 IonicContact NH2-OE2 3.94Å
86F94.6Very high91.1Very high85 Ų8580.6 Ų80.637%0.37341%0.41SS..  trans-79.1140.8168.5-68.7-90.2000109.9R93 P97F86-R93 HydrophobicContact CB-CG 4.47Å; F86-R93 VanDerWaalsContact CD2-NH2 3.31Å; F86-P97 HydrophobicContact CD1-CB 4.46Å; F86-P97 HydrophobicContact CD2-CB 4.43Å; F86-P97 HydrophobicContact CE1-CB 4.24Å; F86-P97 HydrophobicContact CE1-CG 4.49Å; F86-P97 HydrophobicContact CE2-CB 4.2Å; F86-P97 HydrophobicContact CZ-CB 4.1Å; F86-P97 HydrophobicContact CZ-CG 4.28Å
87L93.7Very high92.1Very high10 Ų1077.8 Ų77.85%0.05241%0.408CS..  trans-92131174-71.3167.8000109.1R93 S94 V98 V142 L144 V157L87-R93 CarbonylContact O-C 3.57Å; L87-S94 PolarHBondContact N-OG 2.93Å; L87-S94 PolarHBondContact O-N 2.87Å; L87-V98 HydrophobicContact CD1-CB 4.17Å; L87-V98 HydrophobicContact CD1-CG1 4.45Å; L87-V98 HydrophobicContact CD1-CG2 3.61Å; L87-V98 HydrophobicContact CG-CB 4.42Å; L87-V98 HydrophobicContact CG-CG2 4.15Å; L87-V142 HydrophobicContact CD1-CB 4.18Å; L87-V142 HydrophobicContact CD1-CG1 4.17Å; L87-V142 HydrophobicContact CD1-CG2 3.84Å; L87-L144 HydrophobicContact CB-CD2 4.49Å; L87-V157 HydrophobicContact CD1-CG1 3.8Å; L87-V157 HydrophobicContact CD1-CG2 4.06Å
88T93.4Very high92.8Very high90 Ų9076.5 Ų76.555%0.55240%0.399SS*.EExtended strand (participates in β ladder)trans-114.1143.5173.651.20000109.7C92 R93T88-C92 WeakPolarHBondContact CA-O 3.29Å; T88-R93 HydrophobicContact CG2-CB 4.43Å; T88-R93 HydrophobicContact CG2-CG 4.24Å
89D91.5Very high93.1Very high70 Ų7078.1 Ų78.137%0.37441%0.408SS..EExtended strand (participates in β ladder)trans-142.793.9177.5-161.48.8000108.7C92 L144 R155D89-C92 PolarHBondContact N-O 3.43Å; D89-C92 WeakPolarHBondContact O-CB 3.36Å; D89-C92 PolarHBondContact O-N 3.02Å; D89-L144 HydrophobicContact CB-CD1 3.66Å; D89-R155 IonicContact OD1-NH1 3.8Å; D89-R155 WeakPolarHBondContact OD2-CD 3.01Å; D89-R155 IonicContact OD2-CZ 3.54Å; D89-R155 IonicContact OD2-NE 2.81Å; D89-R155 IonicContact OD2-NH1 3.84Å
90G91Very high93.2Very high70 Ų7075.3 Ų75.372%0.72240%0.399SS*.THydrogen-bonded Turntrans56.8-125-169.800000111.6C92G90-C92 PolarHBondContact O-N 2.85Å
91P91.6Very high93.3Very high101 Ų10171.8 Ų71.866%0.65638%0.383SS*.THydrogen-bonded Turntrans-75.1-8.6179.432.8-35.6000113.4P147P91-P147 HydrophobicContact CB-CG 3.93Å; P91-P147 WeakPolarHBondContact O-CD 3.47Å
92C93.2Very high93.4Very high4 Ų471.2 Ų71.23%0.02738%0.383CS..EExtended strand (participates in β ladder)trans-95.9144.9-173.9-46.80000112T88 D89 G90 L144 L145 C146T88-C92 WeakPolarHBondContact CA-O 3.29Å; D89-C92 PolarHBondContact N-O 3.43Å; D89-C92 WeakPolarHBondContact O-CB 3.36Å; D89-C92 PolarHBondContact O-N 3.02Å; G90-C92 PolarHBondContact O-N 2.85Å; C92-L144 HydrophobicContact CB-CB 4.08Å; C92-L145 CarbonylContact C-O 3.56Å; C92-L145 VanDerWaalsContact CA-O 3.25Å; C92-L145 WeakPolarHBondContact CA-O 3.42Å; C92-C146 HydrophobicContact CB-CB 4Å; C92-C146 WeakPolarHBondContact CB-SG 3.11Å; C92-C146 WeakPolarHBondContact SG-CB 3.44Å; C92-C146 CovalentContact SG-SG 2.03Å; C92-C146 PolarHBondContact SG-SG 3.43Å
93R94.6Very high93.5Very high140 Ų14066.7 Ų66.753%0.52837%0.365SS..EExtended strand (participates in β ladder)trans-127.5144.7177.8-178.1175.8172.2171.8-1.4111.2F86 L87 T88 L145F86-R93 HydrophobicContact CB-CG 4.47Å; F86-R93 VanDerWaalsContact CD2-NH2 3.31Å; L87-R93 CarbonylContact O-C 3.57Å; T88-R93 HydrophobicContact CG2-CB 4.43Å; T88-R93 HydrophobicContact CG2-CG 4.24Å; R93-L145 PolarHBondContact N-O 3.26Å; R93-L145 PolarHBondContact O-N 3.28Å
94S94.9Very high93.3Very high5 Ų561.9 Ų61.94%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-64.5138.9176.968.30000112L87 K96 Q143L87-S94 PolarHBondContact N-OG 2.93Å; L87-S94 PolarHBondContact O-N 2.87Å; S94-K96 VanDerWaalsContact C-N 3.28Å; S94-K96 WeakPolarHBondContact CB-O 3.2Å; S94-K96 PolarHBondContact O-N 2.03Å; S94-K96 PolarHBondContact OG-O 3.42Å; S94-Q143 WeakPolarHBondContact CA-O 3.4Å
95A90.6Very high93Very high57 Ų5759.6 Ų59.647%0.47135%0.346SS..SBendtrans-67.4-32.3175.100000112.1Q143 L145A95-Q143 PolarHBondContact N-O 3.36Å; A95-L145 HydrophobicContact CB-CD1 3.68Å; A95-L145 HydrophobicContact CB-CG 4.08Å
96K93.7Very high92.5Very high162 Ų16260.9 Ų60.970%0.70436%0.356SS*.SBendtrans-119.9145.9179.9-65.4-176.1179-177.60110.5S94S94-K96 VanDerWaalsContact C-N 3.28Å; S94-K96 WeakPolarHBondContact CB-O 3.2Å; S94-K96 PolarHBondContact O-N 2.03Å; S94-K96 PolarHBondContact OG-O 3.42Å
97P94.7Very high92Very high68 Ų6857.7 Ų57.744%0.44234%0.344SS..  trans-67.6152.3169.230.8-34.2000109.8R85 F86R85-P97 WeakPolarHBondContact O-CA 3.5Å; F86-P97 HydrophobicContact CD1-CB 4.46Å; F86-P97 HydrophobicContact CD2-CB 4.43Å; F86-P97 HydrophobicContact CE1-CB 4.24Å; F86-P97 HydrophobicContact CE1-CG 4.49Å; F86-P97 HydrophobicContact CE2-CB 4.2Å; F86-P97 HydrophobicContact CZ-CB 4.1Å; F86-P97 HydrophobicContact CZ-CG 4.28Å
98V93.7Very high91.2Very high2 Ų258.3 Ų58.31%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-113.9133.4179.1177.20000108.6T84 R85 L87 V142 L159T84-V98 WeakPolarHBondContact CA-O 3.46Å; R85-V98 PolarHBondContact N-O 2.74Å; R85-V98 PolarHBondContact O-N 3.43Å; L87-V98 HydrophobicContact CD1-CB 4.17Å; L87-V98 HydrophobicContact CD1-CG1 4.45Å; L87-V98 HydrophobicContact CD1-CG2 3.61Å; L87-V98 HydrophobicContact CG-CB 4.42Å; L87-V98 HydrophobicContact CG-CG2 4.15Å; V98-V142 HydrophobicContact CG2-CG1 4.05Å; V98-V142 HydrophobicContact CG2-CG2 3.65Å; V98-L159 HydrophobicContact CG1-CD1 3.32Å; V98-L159 HydrophobicContact CG1-CD2 4.43Å; V98-L159 HydrophobicContact CG1-CG 4.46Å
99T94.6Very high90Very high61 Ų6156.1 Ų56.137%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-83.6112174.850.90000108.9Y83 T84 R138Y83-T99 CarbonylContact O-C 3.42Å; T84-T99 HydrophobicContact CG2-CG2 3.59Å; T99-R138 PolarHBondContact O-NH2 3.29Å; T99-R138 PolarHBondContact OG1-NH2 3.26Å
100E92.8Very high88.6Confident41 Ų4157.3 Ų57.319%0.19236%0.359CS..EExtended strand (participates in β ladder)trans-95.7147.8170-52.6-167153.300109H82 Y83 R85 L159H82-E100 WeakPolarHBondContact CA-O 3.39Å; Y83-E100 PolarHBondContact N-O 3.45Å; Y83-E100 PolarHBondContact O-N 2.93Å; R85-E100 HydrophobicContact CG-CG 4.48Å; R85-E100 IonicContact CZ-OE1 2.84Å; R85-E100 VanDerWaalsContact CZ-OE1 3.25Å; R85-E100 IonicContact CZ-OE2 2.88Å; R85-E100 IonicContact NE-OE1 2.65Å; R85-E100 PolarHBondContact NE-OE1 3.07Å; R85-E100 IonicContact NE-OE2 3.25Å; R85-E100 PolarHBondContact NE-OE2 2.9Å; R85-E100 IonicContact NH2-OE1 3.5Å; R85-E100 PolarHBondContact NH2-OE1 3.42Å; R85-E100 IonicContact NH2-OE2 3.94Å; E100-L159 HydrophobicContact CG-CD2 3.85Å
101L94.2Very high87.1Confident7 Ų764.9 Ų64.94%0.03737%0.366CS..EExtended strand (participates in β ladder)trans-115.4130.8177.9-166.4159.8000108.3E80 L81 V160 C163E80-L101 HydrophobicContact CB-CD1 4.03Å; E80-L101 HydrophobicContact CB-CD2 3.97Å; E80-L101 HydrophobicContact CB-CG 4.12Å; E80-L101 HydrophobicContact CG-CD1 4.3Å; E80-L101 HydrophobicContact CG-CD2 4.09Å; L81-L101 CarbonylContact O-C 3.14Å; L81-L101 WeakPolarHBondContact O-CA 3.04Å; L101-V160 HydrophobicContact CB-CB 4.2Å; L101-V160 VanDerWaalsContact CB-O 3.3Å; L101-V160 WeakPolarHBondContact CB-O 3.36Å; L101-V160 HydrophobicContact CD2-CB 4.38Å; L101-V160 HydrophobicContact CD2-CG1 3.9Å; L101-V160 WeakPolarHBondContact O-CB 3.03Å; L101-C163 WeakPolarHBondContact CD2-SG 3.41Å
102V94.5Very high85.4Confident79 Ų7965.1 Ų65.148%0.47936%0.361SS..EExtended strand (participates in β ladder)trans-116.7127.3177-178.10000108.7L81L81-V102 HydrophobicContact CB-CB 4.4Å; L81-V102 PolarHBondContact N-O 3.49Å; L81-V102 PolarHBondContact O-N 3.31Å
103C93.2Very high83.7Confident28 Ų2870.8 Ų70.819%0.18939%0.391CS..EExtended strand (participates in β ladder)trans-82.7119.9176.5-560000109.6C163C103-C163 WeakPolarHBondContact CA-SG 3.21Å; C103-C163 HydrophobicContact CB-CB 3.72Å; C103-C163 WeakPolarHBondContact CB-SG 3.06Å; C103-C163 WeakPolarHBondContact SG-CB 3.16Å; C103-C163 CovalentContact SG-SG 2.01Å; C103-C163 PolarHBondContact SG-SG 3.35Å
104S90.6Very high81.7Confident40 Ų4069.5 Ų69.528%0.2840%0.4SS..EExtended strand (participates in β ladder)trans-141156.6175.5720000110.7R79 L81R79-S104 WeakPolarHBondContact CA-O 3.3Å; R79-S104 WeakPolarHBondContact CB-O 3.39Å; R79-S104 PolarHBondContact N-O 3.43Å; R79-S104 PolarHBondContact O-N 3.02Å; R79-S104 VanDerWaalsContact O-O 3.07Å; L81-S104 WeakPolarHBondContact CD1-OG 3.42Å; L81-S104 WeakPolarHBondContact CG-OG 3.48Å
105G87.1Confident79.8Confident40 Ų4076.5 Ų76.541%0.41244%0.437SS..EExtended strand (participates in β ladder)trans123.3170.4178.900000113S77S77-G105 WeakPolarHBondContact O-CA 3.14Å
106Q83.6Confident78.2Confident119 Ų11976.3 Ų76.356%0.55644%0.435SS*.  trans-100.6136.7-174.4-56-178.57.500109.7Y76 S77Y76-Q106 CarbonylContact C-O 3.54Å; Y76-Q106 WeakPolarHBondContact CA-O 3.38Å; Y76-Q106 HydrophobicContact CD1-CB 4.44Å; S77-Q106 CarbonylContact C-O 3.58Å; S77-Q106 PolarHBondContact N-O 2.99Å; S77-Q106 PolarHBondContact O-N 3.38Å
107C85.2Confident76.4Confident18 Ų1875.5 Ų75.512%0.12244%0.438CS..  trans-115127.4174.7-66.40000108.3F130 C132 C165C107-F130 HydrophobicContact CB-CB 3.55Å; C107-C132 PolarHBondContact SG-N 3.33Å; C107-C165 HydrophobicContact CB-CB 3.65Å; C107-C165 WeakPolarHBondContact CB-SG 3.25Å; C107-C165 WeakPolarHBondContact SG-CA 3.28Å; C107-C165 WeakPolarHBondContact SG-CB 3.44Å; C107-C165 CovalentContact SG-SG 2.04Å; C107-C165 PolarHBondContact SG-SG 3.47Å
108G75.7Confident74.7Confident23 Ų2375.4 Ų75.424%0.23745%0.449CS..  trans-110.7163.417200000111.6A110G108-A110 PolarHBondContact O-N 3.09Å
109P69.6Low73Confident43 Ų4385.7 Ų85.728%0.27949%0.488SS..  trans-55.7125.7159.523-29.8000108.5R111 L112 F130P109-R111 PolarHBondContact O-N 3.1Å; P109-L112 HydrophobicContact CB-CG 4.49Å; P109-L112 HydrophobicContact CG-CB 4.08Å; P109-L112 HydrophobicContact CG-CD1 3.54Å; P109-L112 HydrophobicContact CG-CG 3.76Å; P109-L112 PolarHBondContact O-N 3.33Å; P109-F130 HydrophobicContact CB-CD2 4.16Å; P109-F130 HydrophobicContact CB-CE2 3.66Å; P109-F130 HydrophobicContact CB-CZ 4.49Å
110A61.2Low71.1Confident95 Ų9588.7 Ų88.779%0.78551%0.505SS*.THydrogen-bonded Turntrans-56.1-1.1-175.900000115.8G108G108-A110 PolarHBondContact O-N 3.09Å
111R59.6Low69.4Low230 Ų23092.7 Ų92.787%0.86852%0.522SS*.THydrogen-bonded Turntrans-116.7-0.2-177.9-59.8-171.1-178.5-156.90114.4P109P109-R111 PolarHBondContact O-N 3.1Å
112L56.8Low68Low106 Ų106102.6 Ų102.656%0.55556%0.559SS**  trans-107.672.9173-55.7-179.6000108.9P109 A116P109-L112 HydrophobicContact CB-CG 4.49Å; P109-L112 HydrophobicContact CG-CB 4.08Å; P109-L112 HydrophobicContact CG-CD1 3.54Å; P109-L112 HydrophobicContact CG-CG 3.76Å; P109-L112 PolarHBondContact O-N 3.33Å; L112-A116 HydrophobicContact CB-CB 3.93Å; L112-A116 HydrophobicContact CD2-CB 3.61Å; L112-A116 HydrophobicContact CG-CB 4.31Å
113L55.9Low66.5Low123 Ų123105.5 Ų105.564%0.64456%0.562SS**  trans-66.4160.9167.5-82.872.1000109.2N115 A116L113-N115 PolarHBondContact O-N 2.97Å; L113-A116 PolarHBondContact O-N 3.4Å
114P54.3Low64.8Low112 Ų112112.5 Ų112.573%0.72758%0.584SS**THydrogen-bonded Turntrans-54.54.7-168.714.5-30.2000118.6
115N54.9Low63.2Low152 Ų152115.9 Ų115.981%0.81361%0.605SS**THydrogen-bonded Turntrans-120.222.8174.6-66.8-33.8000113.6L113 I117L113-N115 PolarHBondContact O-N 2.97Å; N115-I117 PolarHBondContact O-N 2.97Å
116A57Low61.8Low53 Ų53121 Ų12144%0.43862%0.623SS.*  trans-70.9100.8177.200000111.2L112 L113 G118L112-A116 HydrophobicContact CB-CB 3.93Å; L112-A116 HydrophobicContact CD2-CB 3.61Å; L112-A116 HydrophobicContact CG-CB 4.31Å; L113-A116 PolarHBondContact O-N 3.4Å; A116-G118 PolarHBondContact O-N 3.42Å
117I56.1Low60.5Low146 Ų146117.7 Ų117.775%0.74962%0.621SS**  trans-69.178.4166.7-58.6168.4000107.9N115 R119N115-I117 PolarHBondContact O-N 2.97Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 HydrophobicContact CG2-CG 3.93Å; I117-R119 PolarHBondContact O-N 3.43Å
118G58.7Low59.4Low66 Ų66119.1 Ų119.168%0.6863%0.63SS**  trans-78.471.8177.500000111A116 V120A116-G118 PolarHBondContact O-N 3.42Å; G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 2.04Å
119R57.1Low59.5Low218 Ų218122.5 Ų122.582%0.82364%0.643SS**  trans-62.493.4172-69.3-157.2-170.8-120.84.6110.5I117 K121I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 HydrophobicContact CG2-CG 3.93Å; I117-R119 PolarHBondContact O-N 3.43Å; R119-K121 PolarHBondContact O-N 2.96Å
120V54.5Low60.2Low123 Ų123123.4 Ų123.475%0.74564%0.643SS**  35.873.9128.7-165.90000114.7G118G118-V120 VanDerWaalsContact C-N 3.31Å; G118-V120 PolarHBondContact O-N 2.04Å
121K58.3Low61.4Low126 Ų126123.2 Ų123.255%0.54862%0.621SS.*  trans-104.184.7149.9-74.6-173.4169.6-177.50107.5R119 W123 R124R119-K121 PolarHBondContact O-N 2.96Å; K121-W123 HydrophobicContact CB-CD2 4.05Å; K121-W123 HydrophobicContact CB-CE3 4.31Å; K121-W123 HydrophobicContact CB-CH2 4.12Å; K121-W123 HydrophobicContact CB-CZ2 3.83Å; K121-W123 HydrophobicContact CB-CZ3 4.33Å; K121-W123 HydrophobicContact CD-CH2 3.96Å; K121-W123 HydrophobicContact CD-CZ2 3.33Å; K121-W123 HydrophobicContact CG-CH2 3.6Å; K121-W123 HydrophobicContact CG-CZ2 3.43Å; K121-W123 VanDerWaalsContact CG-CZ2 3.43Å; K121-W123 HydrophobicContact CG-CZ3 4.21Å; K121-W123 PolarHBondContact O-N 3.2Å; K121-R124 HydrophobicContact CB-CG 4.48Å; K121-R124 PolarHBondContact O-N 3.05Å; K121-R124 VanDerWaalsContact O-N 3.07Å
122W64.1Low62.9Low214 Ų214113.5 Ų113.581%0.81159%0.589SS**THydrogen-bonded Turntrans-55.2-17.1-176.361.4-87.7000114.8
123W63.6Low64.6Low141 Ų141110 Ų11053%0.53457%0.57SS.*THydrogen-bonded Turntrans-85.8-6.3178.761.585.4000114.9K121K121-W123 HydrophobicContact CB-CD2 4.05Å; K121-W123 HydrophobicContact CB-CE3 4.31Å; K121-W123 HydrophobicContact CB-CH2 4.12Å; K121-W123 HydrophobicContact CB-CZ2 3.83Å; K121-W123 HydrophobicContact CB-CZ3 4.33Å; K121-W123 HydrophobicContact CD-CH2 3.96Å; K121-W123 HydrophobicContact CD-CZ2 3.33Å; K121-W123 HydrophobicContact CG-CH2 3.6Å; K121-W123 HydrophobicContact CG-CZ2 3.43Å; K121-W123 VanDerWaalsContact CG-CZ2 3.43Å; K121-W123 HydrophobicContact CG-CZ3 4.21Å; K121-W123 PolarHBondContact O-N 3.2Å
124R57Low66.5Low174 Ų174106.3 Ų106.366%0.65755%0.554SS**SBendtrans-93.4124.3175.2-69.6-109.8-171.5-103.13107.9K121 N126K121-R124 HydrophobicContact CB-CG 4.48Å; K121-R124 PolarHBondContact O-N 3.05Å; K121-R124 VanDerWaalsContact O-N 3.07Å; R124-N126 PolarHBondContact O-N 3.43Å
125P57.2Low68.3Low112 Ų112103.7 Ų103.773%0.72753%0.533SS*.  trans-55.7137.6170.225.5-31.8000107.4G127P125-G127 PolarHBondContact O-N 3.44Å
126N56.9Low70.2Confident146 Ų146104.6 Ų104.678%0.78153%0.526SS*.  trans-35.1133.6-177.2-69.5-25.9000110.9R124R124-N126 PolarHBondContact O-N 3.43Å
127G56.3Low72Confident51 Ų51109 Ų10953%0.52653%0.532SS..SBendtrans-46.5153.9-176.300000111.4P125 D129P125-G127 PolarHBondContact O-N 3.44Å; G127-D129 PolarHBondContact O-N 3.07Å
128P63.2Low73.9Confident48 Ų48105.7 Ų105.731%0.31251%0.51SS..  trans-50.1115.8-168.221.7-33.7000112.2F130 R167P128-F130 HydrophobicContact CB-CE2 4.26Å; P128-F130 HydrophobicContact CG-CE2 3.95Å; P128-F130 WeakPolarHBondContact O-CD2 3.34Å; P128-F130 WeakPolarHBondContact O-CE2 3.41Å; P128-F130 PolarHBondContact O-N 2.69Å; P128-R167 HydrophobicContact CB-CG 3.82Å
129D77.1Confident75.6Confident94 Ų94105.3 Ų105.350%0.50350%0.5SS..  trans-63.3121.4179.5-59.6-38.9000108.3G127 L168G127-D129 PolarHBondContact O-N 3.07Å; D129-L168 HydrophobicContact CB-CB 4.02Å; D129-L168 HydrophobicContact CB-CD2 3.92Å; D129-L168 WeakPolarHBondContact O-CA 3.45Å; D129-L168 WeakPolarHBondContact O-CB 3.09Å; D129-L168 PolarHBondContact O-N 3.2Å
130F84.1Confident77.3Confident62 Ų6298 Ų9827%0.27248%0.475SS..EExtended strand (participates in β ladder)trans-95.9141.4171.8-72.4-101.2000108.6C107 P109 P128 R167C107-F130 HydrophobicContact CB-CB 3.55Å; P109-F130 HydrophobicContact CB-CD2 4.16Å; P109-F130 HydrophobicContact CB-CE2 3.66Å; P109-F130 HydrophobicContact CB-CZ 4.49Å; P128-F130 HydrophobicContact CB-CE2 4.26Å; P128-F130 HydrophobicContact CG-CE2 3.95Å; P128-F130 WeakPolarHBondContact O-CD2 3.34Å; P128-F130 WeakPolarHBondContact O-CE2 3.41Å; P128-F130 PolarHBondContact O-N 2.69Å; F130-R167 HydrophobicContact CD1-CB 4.13Å; F130-R167 HydrophobicContact CE1-CB 3.85Å; F130-R167 HydrophobicContact CZ-CB 4.24Å
131R87.5Confident79.2Confident90 Ų90101 Ų10134%0.3447%0.473SS..EExtended strand (participates in β ladder)trans-133144.8176.957.1174.9-168.8-16512.1111.8I133 K166 L168 H172R131-I133 HydrophobicContact CG-CG2 3.87Å; R131-K166 PolarHBondContact N-O 3.2Å; R131-K166 PolarHBondContact O-N 3.09Å; R131-L168 VanDerWaalsContact CZ-CD1 3.4Å; R131-H172 PolarHBondContact NH2-CD2 3.25Å; R131-H172 VanDerWaalsContact NH2-CG 3.3Å
132C90.6Very high81Confident27 Ų2795.4 Ų95.418%0.18245%0.45CS..EExtended strand (participates in β ladder)trans-77.1120.2173.5-177.40000108.6C78 C107C78-C132 VanDerWaalsContact CA-SG 3.55Å; C78-C132 HydrophobicContact CB-CB 3.74Å; C78-C132 WeakPolarHBondContact CB-SG 3.42Å; C78-C132 VanDerWaalsContact SG-CA 3.53Å; C78-C132 WeakPolarHBondContact SG-CB 3.47Å; C78-C132 CovalentContact SG-SG 2.03Å; C78-C132 PolarHBondContact SG-SG 3.47Å; C107-C132 PolarHBondContact SG-N 3.33Å
133I92.1Very high82.4Confident32 Ų3291.8 Ų91.816%0.16444%0.442CS..EExtended strand (participates in β ladder)trans-135.1159.2-177.960.1156.6000111.5R131 D135 C163 K164 K166R131-I133 HydrophobicContact CG-CG2 3.87Å; I133-D135 PolarHBondContact O-N 3.35Å; I133-C163 WeakPolarHBondContact O-CA 3.1Å; I133-K164 HydrophobicContact CG1-CG 4.29Å; I133-K164 WeakPolarHBondContact CG1-O 3.27Å; I133-K164 PolarHBondContact N-O 3.3Å; I133-K164 PolarHBondContact O-N 3.39Å; I133-K166 HydrophobicContact CD1-CB 3.46Å; I133-K166 VanDerWaalsContact CD1-CB 3.46Å; I133-K166 HydrophobicContact CD1-CD 3.36Å; I133-K166 HydrophobicContact CD1-CG 4.01Å; I133-K166 HydrophobicContact CG1-CB 3.69Å; I133-K166 HydrophobicContact CG1-CD 4.5Å
134P95Very high83.9Confident46 Ų4685.2 Ų85.230%0.29942%0.417SS..EExtended strand (participates in β ladder)trans-58.5129.4167.1-25.136.3000111.5Y137 V160P134-Y137 HydrophobicContact CB-CE1 4.28Å; P134-Y137 HydrophobicContact CB-CE2 3.96Å; P134-Y137 WeakPolarHBondContact CB-OH 3.46Å; P134-V160 HydrophobicContact CB-CG1 3.86Å; P134-V160 HydrophobicContact CB-CG2 4.1Å; P134-V160 HydrophobicContact CG-CG1 4.4Å; P134-V160 HydrophobicContact CG-CG2 4.1Å
135D93.5Very high85.7Confident56 Ų5681.7 Ų81.730%0.29941%0.411SS..EExtended strand (participates in β ladder)trans-93-58174.5178.340.5000110.9I133 S162 K164I133-D135 PolarHBondContact O-N 3.35Å; D135-S162 PolarHBondContact N-O 2.74Å; D135-S162 PolarHBondContact OD2-OG 3.26Å; D135-K164 HydrophobicContact CB-CB 4.11Å; D135-K164 HydrophobicContact CB-CD 3.79Å; D135-K164 HydrophobicContact CB-CG 3.81Å; D135-K164 VanDerWaalsContact OD1-CD 3.29Å; D135-K164 WeakPolarHBondContact OD1-CD 2.97Å; D135-K164 WeakPolarHBondContact OD1-CE 3.46Å; D135-K164 IonicContact OD1-NZ 3.93Å; D135-K164 PolarHBondContact OD1-NZ 3.44Å
136R94.2Very high87.4Confident172 Ų17277.4 Ų77.465%0.64938%0.383SS*.EExtended strand (participates in β ladder)trans-121.4149-177.7-61.6177.5-172.5-161.9-1.7110.6A161 S162R136-A161 HydrophobicContact CB-CB 4.23Å; R136-A161 PolarHBondContact O-N 3.26Å; R136-S162 WeakPolarHBondContact CB-OG 3.35Å; R136-S162 PolarHBondContact N-O 3.48Å; R136-S162 PolarHBondContact N-OG 3Å; R136-S162 PolarHBondContact O-N 3.01Å
137Y95.8Very high89.1Confident146 Ų14674.6 Ų74.657%0.57337%0.373SS*.EExtended strand (participates in β ladder)trans-115.6136.7172.1-66.6-93.6000109.4P134 L159 V160P134-Y137 HydrophobicContact CB-CE1 4.28Å; P134-Y137 HydrophobicContact CB-CE2 3.96Å; P134-Y137 WeakPolarHBondContact CB-OH 3.46Å; Y137-L159 CarbonylContact C-O 3.56Å; Y137-L159 VanDerWaalsContact CA-O 3.28Å; Y137-L159 WeakPolarHBondContact CA-O 3.03Å; Y137-V160 HydrophobicContact CD1-CG2 4.13Å; Y137-V160 HydrophobicContact CE1-CG2 3.71Å
138R94.6Very high90.5Very high76 Ų7676.2 Ų76.229%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-104.1140.5168.764.6177.1-178.1-108.5-0.4109.4T99 L159 A161T99-R138 PolarHBondContact O-NH2 3.29Å; T99-R138 PolarHBondContact OG1-NH2 3.26Å; R138-L159 HydrophobicContact CG-CB 4.09Å; R138-L159 PolarHBondContact N-O 3Å; R138-L159 PolarHBondContact O-N 3.42Å; R138-A161 HydrophobicContact CB-CB 3.97Å; R138-A161 HydrophobicContact CG-CB 4.05Å
139A94.6Very high91.2Very high57 Ų5778 Ų7847%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-100.4128.5170.400000109.4K156 V157A139-K156 VanDerWaalsContact CB-CE 3.45Å; A139-K156 HydrophobicContact CB-CG 4.35Å; A139-V157 CarbonylContact C-O 3.49Å; A139-V157 WeakPolarHBondContact CA-O 3.05Å
140Q93.7Very high91.5Very high65 Ų6575.8 Ų75.830%0.30441%0.411SS..EExtended strand (participates in β ladder)trans-121133.8-180-174.3170.5-2300109.6V142 K156 V157 L159Q140-V142 HydrophobicContact CG-CG2 4.17Å; Q140-K156 WeakPolarHBondContact O-CA 3.11Å; Q140-V157 HydrophobicContact CB-CG2 4.22Å; Q140-V157 PolarHBondContact N-O 3.35Å; Q140-V157 WeakPolarHBondContact O-CG2 3.35Å; Q140-V157 PolarHBondContact O-N 3.27Å; Q140-L159 HydrophobicContact CB-CD1 4.29Å
141R94.5Very high91.6Very high186 Ų18676.5 Ų76.570%0.70243%0.429SS*.EExtended strand (participates in β ladder)trans-92.8127170.7-68.9-174.875.6149.51.1108.9S154 R155 K156R141-S154 PolarHBondContact NH2-OG 3.15Å; R141-R155 CarbonylContact C-O 3.57Å; R141-R155 WeakPolarHBondContact CA-O 3.46Å; R141-K156 HydrophobicContact CG-CB 4.31Å; R141-K156 HydrophobicContact CG-CG 4.36Å
142V94.6Very high91.7Very high9 Ų976.3 Ų76.36%0.05544%0.439CS..EExtended strand (participates in β ladder)trans-120.4133.4-175.3-175.80000108.5L87 V98 Q140 S154 R155 V157L87-V142 HydrophobicContact CD1-CB 4.18Å; L87-V142 HydrophobicContact CD1-CG1 4.17Å; L87-V142 HydrophobicContact CD1-CG2 3.84Å; V98-V142 HydrophobicContact CG2-CG1 4.05Å; V98-V142 HydrophobicContact CG2-CG2 3.65Å; Q140-V142 HydrophobicContact CG-CG2 4.17Å; V142-S154 WeakPolarHBondContact O-CA 3.02Å; V142-R155 PolarHBondContact N-O 3.33Å; V142-R155 PolarHBondContact O-N 2.9Å; V142-V157 HydrophobicContact CG2-CG2 3.95Å
143Q94.5Very high91.7Very high137 Ų13782.5 Ų82.564%0.6446%0.459SS*.EExtended strand (participates in β ladder)trans-86.7130.1175.1-61.5-178.318.300109.7S94 A95 R153S94-Q143 WeakPolarHBondContact CA-O 3.4Å; A95-Q143 PolarHBondContact N-O 3.36Å; Q143-R153 CarbonylContact C-O 3.58Å; Q143-R153 WeakPolarHBondContact CA-O 3.44Å
144L95Very high91.7Very high4 Ų484.2 Ų84.22%0.02147%0.474CS..EExtended strand (participates in β ladder)trans-110131.7-179.8-56.8174.9000108.7L87 D89 C92 P152 R153 R155L87-L144 HydrophobicContact CB-CD2 4.49Å; D89-L144 HydrophobicContact CB-CD1 3.66Å; C92-L144 HydrophobicContact CB-CB 4.08Å; L144-P152 CarbonylContact O-C 3.59Å; L144-P152 WeakPolarHBondContact O-CA 3.37Å; L144-R153 HydrophobicContact CB-CB 4.35Å; L144-R153 PolarHBondContact N-O 3.02Å; L144-R153 PolarHBondContact O-N 2.71Å; L144-R155 HydrophobicContact CD1-CB 3.93Å
145L94.7Very high91.5Very high100 Ų10087 Ų8752%0.52448%0.478SS..EExtended strand (participates in β ladder)trans-97.9126.7174.2-60.7171.6000108C92 R93 A95 P152C92-L145 CarbonylContact C-O 3.56Å; C92-L145 VanDerWaalsContact CA-O 3.25Å; C92-L145 WeakPolarHBondContact CA-O 3.42Å; R93-L145 PolarHBondContact N-O 3.26Å; R93-L145 PolarHBondContact O-N 3.28Å; A95-L145 HydrophobicContact CB-CD1 3.68Å; A95-L145 HydrophobicContact CB-CG 4.08Å; L145-P152 HydrophobicContact CD2-CB 4.43Å
146C92.6Very high91.6Very high21 Ų2191.2 Ų91.214%0.14249%0.494CS..  trans-109144.7-179.6-56.60000109.6C92 A150C92-C146 HydrophobicContact CB-CB 4Å; C92-C146 WeakPolarHBondContact CB-SG 3.11Å; C92-C146 WeakPolarHBondContact SG-CB 3.44Å; C92-C146 CovalentContact SG-SG 2.03Å; C92-C146 PolarHBondContact SG-SG 3.43Å; C146-A150 HydrophobicContact CB-CB 4.06Å
147P92.1Very high91.5Very high88 Ų8883.9 Ų83.957%0.57147%0.468SS*.SBendtrans-66.2157.7173.628.3-34.4000111.2P91P91-P147 HydrophobicContact CB-CG 3.93Å; P91-P147 WeakPolarHBondContact O-CD 3.47Å
148G86.6Confident91.5Very high84 Ų8486.9 Ų86.987%0.86648%0.478SS*.SBendtrans87.225.4172.400000116.1A150G148-A150 PolarHBondContact O-N 3.08Å; G148-A150 VanDerWaalsContact O-N 3.12Å
149G78.4Confident91.5Very high85 Ų8583.8 Ų83.888%0.87647%0.468SS*.SBendtrans69.67.2178.600000114.3
150A82Confident91.6Very high49 Ų4982.2 Ų82.241%0.40545%0.452SS..PPolyproline II helixtrans-63.7139.3176.100000110.8C146 G148C146-A150 HydrophobicContact CB-CB 4.06Å; G148-A150 PolarHBondContact O-N 3.08Å; G148-A150 VanDerWaalsContact O-N 3.12Å
151A86.8Confident91.6Very high77 Ų7780.6 Ų80.664%0.63645%0.45SS*.PPolyproline II helixtrans-55.814617900000111.8R153A151-R153 PolarHBondContact O-N 3.24Å
152P89.3Confident91.6Very high86 Ų8672.9 Ų72.956%0.55842%0.424SS*.PPolyproline II helixtrans-60.9131.2179.325.3-33.8000110.6L144 L145L144-P152 CarbonylContact O-C 3.59Å; L144-P152 WeakPolarHBondContact O-CA 3.37Å; L145-P152 HydrophobicContact CD2-CB 4.43Å
153R91.1Very high91.5Very high157 Ų15773.3 Ų73.359%0.59243%0.428SS*.EExtended strand (participates in β ladder)trans-92.6145.9177.5-65.1-177.2-179.7-176.3-0.7109.8Q143 L144 A151Q143-R153 CarbonylContact C-O 3.58Å; Q143-R153 WeakPolarHBondContact CA-O 3.44Å; L144-R153 HydrophobicContact CB-CB 4.35Å; L144-R153 PolarHBondContact N-O 3.02Å; L144-R153 PolarHBondContact O-N 2.71Å; A151-R153 PolarHBondContact O-N 3.24Å
154S91.5Very high91.4Very high68 Ų6871.2 Ų71.248%0.47642%0.416SS..EExtended strand (participates in β ladder)trans-110.8129173.779.10000110.7R141 V142R141-S154 PolarHBondContact NH2-OG 3.15Å; V142-S154 WeakPolarHBondContact O-CA 3.02Å
155R92Very high91.1Very high103 Ų10373.9 Ų73.939%0.38943%0.434SS..EExtended strand (participates in β ladder)trans-120.7135.8178.8-173.3174.4178.7-175.70.7110.9D89 R141 V142 L144 V157D89-R155 IonicContact OD1-NH1 3.8Å; D89-R155 WeakPolarHBondContact OD2-CD 3.01Å; D89-R155 IonicContact OD2-CZ 3.54Å; D89-R155 IonicContact OD2-NE 2.81Å; D89-R155 IonicContact OD2-NH1 3.84Å; R141-R155 CarbonylContact C-O 3.57Å; R141-R155 WeakPolarHBondContact CA-O 3.46Å; V142-R155 PolarHBondContact N-O 3.33Å; V142-R155 PolarHBondContact O-N 2.9Å; L144-R155 HydrophobicContact CD1-CB 3.93Å; R155-V157 HydrophobicContact CG-CG1 4.46Å
156K94.4Very high90.8Very high145 Ų14573 Ų7363%0.6343%0.426SS*.EExtended strand (participates in β ladder)trans-93.8118.6174.3-171.5176-178.7176.10109.3A139 Q140 R141A139-K156 VanDerWaalsContact CB-CE 3.45Å; A139-K156 HydrophobicContact CB-CG 4.35Å; Q140-K156 WeakPolarHBondContact O-CA 3.11Å; R141-K156 HydrophobicContact CG-CB 4.31Å; R141-K156 HydrophobicContact CG-CG 4.36Å
157V93.5Very high90.4Very high18 Ų1879 Ų7911%0.10945%0.446CS..EExtended strand (participates in β ladder)trans-110.2143.9175.1-67.30000110.2L87 A139 Q140 V142 R155 L159L87-V157 HydrophobicContact CD1-CG1 3.8Å; L87-V157 HydrophobicContact CD1-CG2 4.06Å; A139-V157 CarbonylContact C-O 3.49Å; A139-V157 WeakPolarHBondContact CA-O 3.05Å; Q140-V157 HydrophobicContact CB-CG2 4.22Å; Q140-V157 PolarHBondContact N-O 3.35Å; Q140-V157 WeakPolarHBondContact O-CG2 3.35Å; Q140-V157 PolarHBondContact O-N 3.27Å; V142-V157 HydrophobicContact CG2-CG2 3.95Å; R155-V157 HydrophobicContact CG-CG1 4.46Å; V157-L159 HydrophobicContact CG2-CD1 4.21Å; V157-L159 HydrophobicContact CG2-CD2 4.33Å; V157-L159 HydrophobicContact CG2-CG 4.16Å
158R95.2Very high89.7Confident209 Ų20976.3 Ų76.379%0.78943%0.427SS*.EExtended strand (participates in β ladder)trans-102.3120.8173.3-69.8-176.4177.4-176.2-0.7108.2
159L94.6Very high89.1Confident12 Ų1275.1 Ų75.16%0.06340%0.403CS..EExtended strand (participates in β ladder)trans-120.3148.3-176.3-56.2173000108.8V98 E100 Y137 R138 Q140 V157V98-L159 HydrophobicContact CG1-CD1 3.32Å; V98-L159 HydrophobicContact CG1-CD2 4.43Å; V98-L159 HydrophobicContact CG1-CG 4.46Å; E100-L159 HydrophobicContact CG-CD2 3.85Å; Y137-L159 CarbonylContact C-O 3.56Å; Y137-L159 VanDerWaalsContact CA-O 3.28Å; Y137-L159 WeakPolarHBondContact CA-O 3.03Å; R138-L159 HydrophobicContact CG-CB 4.09Å; R138-L159 PolarHBondContact N-O 3Å; R138-L159 PolarHBondContact O-N 3.42Å; Q140-L159 HydrophobicContact CB-CD1 4.29Å; V157-L159 HydrophobicContact CG2-CD1 4.21Å; V157-L159 HydrophobicContact CG2-CD2 4.33Å; V157-L159 HydrophobicContact CG2-CG 4.16Å
160V95.9Very high88.9Confident23 Ų2381.8 Ų81.814%0.13940%0.401CS..EExtended strand (participates in β ladder)trans-66.6137.4171.5-175.40000108.5L101 P134 Y137 S162L101-V160 HydrophobicContact CB-CB 4.2Å; L101-V160 VanDerWaalsContact CB-O 3.3Å; L101-V160 WeakPolarHBondContact CB-O 3.36Å; L101-V160 HydrophobicContact CD2-CB 4.38Å; L101-V160 HydrophobicContact CD2-CG1 3.9Å; L101-V160 WeakPolarHBondContact O-CB 3.03Å; P134-V160 HydrophobicContact CB-CG1 3.86Å; P134-V160 HydrophobicContact CB-CG2 4.1Å; P134-V160 HydrophobicContact CG-CG1 4.4Å; P134-V160 HydrophobicContact CG-CG2 4.1Å; Y137-V160 HydrophobicContact CD1-CG2 4.13Å; Y137-V160 HydrophobicContact CE1-CG2 3.71Å; V160-S162 WeakPolarHBondContact CG1-O 3.4Å
161A94.1Very high88.3Confident32 Ų3286.7 Ų86.726%0.26441%0.414SS..EExtended strand (participates in β ladder)trans-109.4-30.8-179.200000112.7R136 R138R136-A161 HydrophobicContact CB-CB 4.23Å; R136-A161 PolarHBondContact O-N 3.26Å; R138-A161 HydrophobicContact CB-CB 3.97Å; R138-A161 HydrophobicContact CG-CB 4.05Å
162S94Very high87.7Confident24 Ų2485.9 Ų85.917%0.16840%0.397CS..EExtended strand (participates in β ladder)trans-154.1157.9176.1590000111.3E80 D135 R136 V160E80-S162 WeakPolarHBondContact OE1-CA 3.42Å; D135-S162 PolarHBondContact N-O 2.74Å; D135-S162 PolarHBondContact OD2-OG 3.26Å; R136-S162 WeakPolarHBondContact CB-OG 3.35Å; R136-S162 PolarHBondContact N-O 3.48Å; R136-S162 PolarHBondContact N-OG 3Å; R136-S162 PolarHBondContact O-N 3.01Å; V160-S162 WeakPolarHBondContact CG1-O 3.4Å
163C93.6Very high86.6Confident18 Ų1886.8 Ų86.812%0.12240%0.397CS..EExtended strand (participates in β ladder)trans-117.9152.6177.3-56.70000111.4C78 E80 L101 C103 I133C78-C163 VanDerWaalsContact SG-CB 3.57Å; E80-C163 HydrophobicContact CG-CB 3.96Å; E80-C163 PolarHBondContact OE1-N 3.37Å; L101-C163 WeakPolarHBondContact CD2-SG 3.41Å; C103-C163 WeakPolarHBondContact CA-SG 3.21Å; C103-C163 HydrophobicContact CB-CB 3.72Å; C103-C163 WeakPolarHBondContact CB-SG 3.06Å; C103-C163 WeakPolarHBondContact SG-CB 3.16Å; C103-C163 CovalentContact SG-SG 2.01Å; C103-C163 PolarHBondContact SG-SG 3.35Å; I133-C163 WeakPolarHBondContact O-CA 3.1Å
164K91.7Very high85.4Confident93 Ų9386 Ų8640%0.40440%0.4SS..EExtended strand (participates in β ladder)trans-145.7154.9173.272.3-178.2171.5-164.60112.7I133 D135 K166I133-K164 HydrophobicContact CG1-CG 4.29Å; I133-K164 WeakPolarHBondContact CG1-O 3.27Å; I133-K164 PolarHBondContact N-O 3.3Å; I133-K164 PolarHBondContact O-N 3.39Å; D135-K164 HydrophobicContact CB-CB 4.11Å; D135-K164 HydrophobicContact CB-CD 3.79Å; D135-K164 HydrophobicContact CB-CG 3.81Å; D135-K164 VanDerWaalsContact OD1-CD 3.29Å; D135-K164 WeakPolarHBondContact OD1-CD 2.97Å; D135-K164 WeakPolarHBondContact OD1-CE 3.46Å; D135-K164 IonicContact OD1-NZ 3.93Å; D135-K164 PolarHBondContact OD1-NZ 3.44Å; K164-K166 PolarHBondContact O-N 3.13Å
165C89.3Confident84.4Confident59 Ų5987.6 Ų87.640%0.39941%0.411SS..EExtended strand (participates in β ladder)trans-75.7117165.5-68.90000110C78 C107C78-C165 VanDerWaalsContact CB-SG 3.55Å; C107-C165 HydrophobicContact CB-CB 3.65Å; C107-C165 WeakPolarHBondContact CB-SG 3.25Å; C107-C165 WeakPolarHBondContact SG-CA 3.28Å; C107-C165 WeakPolarHBondContact SG-CB 3.44Å; C107-C165 CovalentContact SG-SG 2.04Å; C107-C165 PolarHBondContact SG-SG 3.47Å
166K87.9Confident83.2Confident81 Ų8190.3 Ų90.335%0.35243%0.428SS..EExtended strand (participates in β ladder)trans-112.8135.3173.1-170.7-177.8-179.8-173.90110R131 I133 K164 L168 H172R131-K166 PolarHBondContact N-O 3.2Å; R131-K166 PolarHBondContact O-N 3.09Å; I133-K166 HydrophobicContact CD1-CB 3.46Å; I133-K166 VanDerWaalsContact CD1-CB 3.46Å; I133-K166 HydrophobicContact CD1-CD 3.36Å; I133-K166 HydrophobicContact CD1-CG 4.01Å; I133-K166 HydrophobicContact CG1-CB 3.69Å; I133-K166 HydrophobicContact CG1-CD 4.5Å; K164-K166 PolarHBondContact O-N 3.13Å; K166-L168 PolarHBondContact O-N 3.07Å; K166-H172 PolarHBondContact NZ-NE2 2.98Å
167R84.3Confident81.8Confident148 Ų14890 Ų9056%0.55843%0.433SS*.EExtended strand (participates in β ladder)trans-63.5126.7168.4179169.6177.3178.98.4110.3P128 F130 T169P128-R167 HydrophobicContact CB-CG 3.82Å; F130-R167 HydrophobicContact CD1-CB 4.13Å; F130-R167 HydrophobicContact CE1-CB 3.85Å; F130-R167 HydrophobicContact CZ-CB 4.24Å; R167-T169 PolarHBondContact O-N 3.08Å
168L77.7Confident80.2Confident31 Ų3195.6 Ų95.616%0.16246%0.456CS..  trans-65.9127.1171.9-168.666.3000109D129 R131 K166 H172D129-L168 HydrophobicContact CB-CB 4.02Å; D129-L168 HydrophobicContact CB-CD2 3.92Å; D129-L168 WeakPolarHBondContact O-CA 3.45Å; D129-L168 WeakPolarHBondContact O-CB 3.09Å; D129-L168 PolarHBondContact O-N 3.2Å; R131-L168 VanDerWaalsContact CZ-CD1 3.4Å; K166-L168 PolarHBondContact O-N 3.07Å; L168-H172 HydrophobicContact CD1-CB 3.53Å
169T74.4Confident78.5Confident59 Ų5992 Ų9236%0.36245%0.452SS..  trans-109.3154.616969.60000108.5R167 F171 H172R167-T169 PolarHBondContact O-N 3.08Å; T169-F171 PolarHBondContact O-N 2.84Å; T169-H172 PolarHBondContact N-ND1 2.99Å; T169-H172 WeakPolarHBondContact O-CB 3.31Å; T169-H172 PolarHBondContact O-N 2.85Å; T169-H172 PolarHBondContact O-ND1 2.66Å; T169-H172 PolarHBondContact OG1-CE1 2.81Å; T169-H172 PolarHBondContact OG1-ND1 2.62Å
170R72.9Confident76.7Confident225 Ų225100.4 Ų100.485%0.84949%0.488SS*.G310 helixtrans-51.6-32.8-178.6-70-174.1-177-179.60.6113.7H172 N173R170-H172 PolarHBondContact O-N 2.95Å; R170-N173 PolarHBondContact O-N 3.18Å; R170-N173 VanDerWaalsContact O-N 3.13Å
171F71.4Confident75.2Confident152 Ų152101.6 Ų101.667%0.66751%0.506SS*.G310 helixtrans-58-28.4176.2-67.7-75.2000113.9T169 N173 Q174T169-F171 PolarHBondContact O-N 2.84Å; F171-N173 VanDerWaalsContact C-N 3.29Å; F171-N173 PolarHBondContact O-N 2.74Å; F171-Q174 PolarHBondContact O-N 2.74Å
172H73.1Confident73.6Confident61 Ų61105.6 Ų105.628%0.28253%0.529SS..G310 helixtrans-79.8-10.1-179.2-60.698.5000114.1R131 K166 L168 T169 R170R131-H172 PolarHBondContact NH2-CD2 3.25Å; R131-H172 VanDerWaalsContact NH2-CG 3.3Å; K166-H172 PolarHBondContact NZ-NE2 2.98Å; L168-H172 HydrophobicContact CD1-CB 3.53Å; T169-H172 PolarHBondContact N-ND1 2.99Å; T169-H172 WeakPolarHBondContact O-CB 3.31Å; T169-H172 PolarHBondContact O-N 2.85Å; T169-H172 PolarHBondContact O-ND1 2.66Å; T169-H172 PolarHBondContact OG1-CE1 2.81Å; T169-H172 PolarHBondContact OG1-ND1 2.62Å; R170-H172 PolarHBondContact O-N 2.95Å
173N67Low71.7Confident105 Ų105113.8 Ų113.856%0.56156%0.564SS**G310 helixtrans-100.48.6175.3-68.6-7.5000111.7R170 F171 S175R170-N173 PolarHBondContact O-N 3.18Å; R170-N173 VanDerWaalsContact O-N 3.13Å; F171-N173 VanDerWaalsContact C-N 3.29Å; F171-N173 PolarHBondContact O-N 2.74Å; N173-S175 PolarHBondContact O-N 3.34Å
174Q66.2Low69.9Low139 Ų139118.5 Ų118.565%0.6559%0.593SS**  trans-71.787170.7-67.6178.7-8.100107.8F171 E176F171-Q174 PolarHBondContact O-N 2.74Å; Q174-E176 PolarHBondContact O-N 3.26Å
175S69.6Low68.2Low102 Ų102118.6 Ų118.671%0.71361%0.611SS**  trans-73.8108.1162.455.30000107N173 L177N173-S175 PolarHBondContact O-N 3.34Å; S175-L177 PolarHBondContact O-N 3.38Å
176E67.2Low66.7Low161 Ų161126.8 Ų126.875%0.75263%0.633SS**  trans-64.193.6149.5-68.3179.7-170.800105.4Q174 K178Q174-E176 PolarHBondContact O-N 3.26Å; E176-K178 PolarHBondContact O-N 2.98Å
177L65Low65.2Low137 Ų137128.6 Ų128.672%0.71765%0.654SS**  trans-64.492.7162.9-170.673000104.5S175 D179S175-L177 PolarHBondContact O-N 3.38Å; L177-D179 PolarHBondContact O-N 3.47Å
178K59.1Low63.8Low136 Ų136131 Ų13159%0.59167%0.671SS**  trans-6795.1169.7-80.2-176.7175.2179.60105.5E176 F180E176-K178 PolarHBondContact O-N 2.98Å; K178-F180 HydrophobicContact CB-CD2 4.28Å; K178-F180 HydrophobicContact CB-CE1 4.44Å; K178-F180 HydrophobicContact CB-CE2 3.88Å; K178-F180 HydrophobicContact CB-CZ 3.97Å; K178-F180 HydrophobicContact CD-CE1 4.46Å; K178-F180 HydrophobicContact CD-CZ 4.12Å; K178-F180 VanDerWaalsContact O-CD2 3.29Å; K178-F180 WeakPolarHBondContact O-CD2 3.47Å; K178-F180 PolarHBondContact O-N 2.9Å
179D59.5Low62.7Low134 Ų134139.3 Ų139.372%0.71771%0.706SS**  trans-61.895.2162.1-67.7-36.9000106.1L177 G181L177-D179 PolarHBondContact O-N 3.47Å; D179-G181 PolarHBondContact O-N 2.96Å
180F58Low61.6Low188 Ų188140 Ų14083%0.82573%0.725SS**  trans-71.843.5166.8-63.3-79000110.1K178K178-F180 HydrophobicContact CB-CD2 4.28Å; K178-F180 HydrophobicContact CB-CE1 4.44Å; K178-F180 HydrophobicContact CB-CE2 3.88Å; K178-F180 HydrophobicContact CB-CZ 3.97Å; K178-F180 HydrophobicContact CD-CE1 4.46Å; K178-F180 HydrophobicContact CD-CZ 4.12Å; K178-F180 VanDerWaalsContact O-CD2 3.29Å; K178-F180 WeakPolarHBondContact O-CD2 3.47Å; K178-F180 PolarHBondContact O-N 2.9Å
181G64.1Low60.6Low49 Ų49141.1 Ų141.151%0.50573%0.729SS.*  trans-65.6140.2168.600000108.5D179 E183D179-G181 PolarHBondContact O-N 2.96Å; G181-E183 PolarHBondContact O-N 2.81Å; G181-E183 VanDerWaalsContact O-N 3.1Å
182P59.3Low60.1Low115 Ų115143.3 Ų143.375%0.74774%0.738SS**  trans-55.6124.3174.623.7-31.5000108T184P182-T184 PolarHBondContact O-N 3.01Å
183E53.8Low59.4Low196 Ų196146.3 Ų146.392%0.91676%0.764SS**  trans-58.188.6175.5-174.3172.6173.800108.4G181 A185G181-E183 PolarHBondContact O-N 2.81Å; G181-E183 VanDerWaalsContact O-N 3.1Å; E183-A185 PolarHBondContact O-N 2.91Å
184T57.3Low59Low118 Ų118153.1 Ų153.172%0.72478%0.781SS**  trans-74.5112171.543.90000106.3P182 R186P182-T184 PolarHBondContact O-N 3.01Å; T184-R186 PolarHBondContact O-N 2.95Å
185A55.1Low58.6Low94 Ų94152.4 Ų152.478%0.77779%0.789SS**  trans-49.5106.1177.400000110.1E183E183-A185 PolarHBondContact O-N 2.91Å
186R58.6Low57.5Low231 Ų231151.5 Ų151.587%0.87280%0.795SS**  trans-68126.7170.7-90-178173.5179.3-0.2108.4T184 Q188T184-R186 PolarHBondContact O-N 2.95Å; R186-Q188 PolarHBondContact O-N 3.29Å
187P56.3Low56.8Low120 Ų120148.9 Ų148.978%0.77980%0.801SS**  trans-67.2129.7174.525.8-30.9000110K189P187-K189 PolarHBondContact O-N 3.32Å
188Q54.8Low56.1Low199 Ų199154.5 Ų154.593%0.9381%0.813SS**  trans-64.1104.3172-73.3-173.5-0.600109.7R186 G190R186-Q188 PolarHBondContact O-N 3.29Å; Q188-G190 PolarHBondContact O-N 3.45Å
189K54.9Low55.6Low204 Ų204151.9 Ų151.989%0.88783%0.825SS**  trans-81.7107.4164.9-109.2178.1178.41770108.7P187 R191P187-K189 PolarHBondContact O-N 3.32Å; K189-R191 PolarHBondContact O-N 2.99Å
190G50.1Low55.2Low74 Ų74150.3 Ų150.376%0.76383%0.83SS**PPolyproline II helixtrans-55.9131.1176.900000112.6Q188Q188-G190 PolarHBondContact O-N 3.45Å
191R52.1Low54.8Low248 Ų248151.6 Ų151.694%0.93684%0.835SS**PPolyproline II helixtrans-74.3122.4168.8-74.6-176.8173.4-169.8-1.6108.8K189K189-R191 PolarHBondContact O-N 2.99Å
192K60.7Low54.4Low198 Ų198153.4 Ų153.486%0.86185%0.845SS**PPolyproline II helixtrans-71.1137.2165.4-74.9-177.3175.9-177.10109.4
193P58.1Low54.3Low125 Ų125155.2 Ų155.281%0.81285%0.849SS**PPolyproline II helixtrans-74.3132.817320.9-14.2000110
194R59.4Low54.5Low247 Ų247154.1 Ų154.193%0.93284%0.844SS**PPolyproline II helixtrans-88128.9169.2-101-178.9159.9177.8-5.6108.8
195P58.2Low54.6Low124 Ų124152.2 Ų152.281%0.80584%0.84SS**PPolyproline II helixtrans-76.9142175.530.2-29.2000110.5
196G46.1Very low54.6Low83 Ų83156 Ų15686%0.85684%0.842SS**PPolyproline II helixtrans-77.4144.4176.100000112.3
197A52.6Low54.6Low106 Ų106151.2 Ų151.288%0.87683%0.832SS**  trans-132.7130165.700000109.4
198R50.6Low54.4Low256 Ų256153.6 Ų153.697%0.96683%0.833SS**  trans-72.1145.5179.9-67.7170.7174-180-3.2110.5
199G48.4Very low54.3Low81 Ų81151.8 Ų151.884%0.83583%0.83SS**  trans-158.793.2166.500000109.6
200A49.9Very low54.2Low100 Ų100146.8 Ų146.883%0.82683%0.827SS**  trans-81.4142.417800000111
201K51.5Low54.5Low215 Ų215158 Ų15894%0.93585%0.848SS**  trans-165.8137132.1-110.7171.1-178.8-179.40111
202A53.8Low54.6Low87 Ų87153.5 Ų153.572%0.71984%0.844SS**  trans-86.9164.4-172.200000112.4
203N58.6Low54.3Low153 Ų153151.2 Ų151.282%0.81884%0.843SS**  trans153.5135.3147-80.6-12.3000106.9
204Q58.5Low54.1Low173 Ų173152.6 Ų152.681%0.80885%0.845SS**  cis-169.7148.5-3.6-179.8171.813.900106.7
205A57.5Low53.8Low78 Ų78147.1 Ų147.165%0.64584%0.839SS**  trans33.6124.2155.800000121
206E55.3Low53.5Low175 Ų175148.5 Ų148.582%0.81884%0.842SS**  66.3109.675-148.5-169.7155.400110.9
207L59Low54Low129 Ų129152.9 Ų152.968%0.67584%0.841SS**  179.4147.587.9-14673.3000103.3
208E52.9Low54.1Low171 Ų171156.2 Ų156.280%0.79984%0.838SS**  179.9133.956.3-159.5168.2154.200107.3
209N51.4Low54.3Low160 Ų160148.5 Ų148.586%0.85683%0.828SS**  trans-75.2150.8171.5-72.1-41.3000110.3
210A54.1Low54.8Low99 Ų99154.2 Ų154.282%0.81883%0.828SS**  trans-165.8119.313800000112.1
211Y55.5Low55.3Low310 Ų310159.1 Ų159.1100%1.21683%0.828SS**  trans64.30163.8-107.8-92000120.9

Retrieved 211 of 211 residues in 316.8 ms (Link to these results)