A0A087XVE2_POEFO Loading...

TAFA chemokine like family member 5a

AlphaFold DB (M3ZQZ5), UniProt , Accession A0A087XVE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 132 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low47.4Very low249 Ų249164.5 Ų164.5100%1.22786%0.855SS**  01380-75168.5-179.900108.5
2A44.3Very low47.9Very low97 Ų97162.3 Ų162.380%0.80285%0.845SS**  trans-70.4160.7-163.400000115.2
3S39.7Very low48.3Very low124 Ų124157.2 Ų157.287%0.86784%0.841SS**  trans-167.2105.1134.627.40000111.7
4V45.3Very low48.6Very low137 Ų137154.4 Ų154.483%0.8383%0.833SS**  trans-104.4160.5152.3175.30000105.2
5P62.6Low48.5Very low106 Ų106159.8 Ų159.869%0.68884%0.837SS**  cis-126.7179.2-15.925.9-4.8000112.6
6R48.8Very low48.6Very low252 Ų252163.2 Ų163.295%0.95184%0.835SS**  trans-154.8112.2132-113169.5-161.4-179.85.5112.9
7S50.7Low49Very low112 Ų112158.4 Ų158.478%0.78382%0.817SS**  trans-41.4134.4161.7177.30000113.1
8A44.3Very low50Low88 Ų88163.8 Ų163.873%0.72783%0.825SS**  trans-157.561.6143.900000110.1R10A8-R10 PolarHBondContact O-N 3.02Å
9R51.1Low50.7Low226 Ų226159.7 Ų159.785%0.85380%0.804SS**  trans-67.791.3158.3-166.4-171.6-86.1-154-0.6105.9K11R9-K11 PolarHBondContact O-N 3.39Å
10R47.8Very low52.3Low248 Ų248155.1 Ų155.194%0.93679%0.787SS**  trans-62.3100.3172.3-86.9-167.2-166.9-153.64107.8A8A8-R10 PolarHBondContact O-N 3.02Å
11K50.1Low53.7Low170 Ų170152.5 Ų152.574%0.73978%0.783SS**  trans-67.5128.6163.8-80.8176.3172.8178.20108.8R9R9-K11 PolarHBondContact O-N 3.39Å
12D54.1Low55.9Low138 Ų138145.2 Ų145.274%0.73875%0.753SS**  trans49.779.9138.4-48.6-39.4000115.8T14D12-T14 PolarHBondContact O-N 3.35Å; D12-T14 VanDerWaalsContact O-N 3.11Å
13A52.1Low57.8Low96 Ų96145.7 Ų145.779%0.79374%0.737SS**  trans-62.9110.2147.800000106.6R15A13-R15 PolarHBondContact O-N 2.7Å
14T53.3Low60.1Low119 Ų119146.9 Ų146.973%0.7372%0.723SS**  trans-46.984.9167.629.80000110.3D12 W16D12-T14 PolarHBondContact O-N 3.35Å; D12-T14 VanDerWaalsContact O-N 3.11Å; T14-W16 PolarHBondContact O-N 2.06Å
15R47.3Very low62.2Low235 Ų235142.6 Ų142.689%0.88770%0.702SS**  trans-72.181.9168.4-172.4177.6-170.8-170.72.2106.5A13 P17A13-R15 PolarHBondContact O-N 2.7Å; R15-P17 VanDerWaalsContact O-N 3.12Å
16W49Very low63.5Low214 Ų214141.7 Ų141.781%0.81169%0.694SS**  trans-52.5121.6163.1-78.275.7000106.3T14 R18T14-W16 PolarHBondContact O-N 2.06Å; W16-R18 PolarHBondContact O-N 3.43Å; W16-R18 VanDerWaalsContact O-N 3.08Å
17P56.7Low65.5Low82 Ų82132.5 Ų132.553%0.53267%0.666SS.*  trans-58.3126.9-179.525.8-32.6000105.9R15 M19R15-P17 VanDerWaalsContact O-N 3.12Å; P17-M19 HydrophobicContact CB-CE 3.68Å; P17-M19 HydrophobicContact CG-CE 3.56Å; P17-M19 HydrophobicContact CG-CG 4.4Å; P17-M19 PolarHBondContact O-N 3Å
18R66Low67.4Low255 Ų255132.7 Ų132.796%0.96266%0.657SS**  trans-67.979.7176.5-155.5172.8-178.6-176.7-0.4105.6W16 S20W16-R18 PolarHBondContact O-N 3.43Å; W16-R18 VanDerWaalsContact O-N 3.08Å; R18-S20 PolarHBondContact O-N 2.8Å
19M64.6Low69.5Low87 Ų87134.5 Ų134.543%0.42965%0.654SS.*  trans-57.8133.3-175.8-81.6-73.7136.400107.4P17 F23P17-M19 HydrophobicContact CB-CE 3.68Å; P17-M19 HydrophobicContact CG-CE 3.56Å; P17-M19 HydrophobicContact CG-CG 4.4Å; P17-M19 PolarHBondContact O-N 3Å; M19-F23 HydrophobicContact CB-CB 4.49Å; M19-F23 HydrophobicContact CB-CD1 3.83Å; M19-F23 HydrophobicContact CB-CG 4.42Å; M19-F23 HydrophobicContact CG-CD1 4.07Å; M19-F23 HydrophobicContact CG-CE1 4.31Å; M19-F23 HydrophobicContact SD-CD1 4.11Å; M19-F23 HydrophobicContact SD-CE1 4.34Å; M19-F23 HydrophobicContact SD-CG 4.25Å
20S81.3Confident71.3Confident66 Ų66127.2 Ų127.246%0.46264%0.635SS.*  trans-49.3143.2-176.1176.60000110.7R18 T22 F23 W24R18-S20 PolarHBondContact O-N 2.8Å; S20-T22 WeakPolarHBondContact CB-OG1 3.05Å; S20-T22 PolarHBondContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 2.9Å; S20-F23 WeakPolarHBondContact O-CB 3.13Å; S20-F23 PolarHBondContact O-N 3.43Å; S20-W24 PolarHBondContact O-N 3.2Å
21S81.3Confident73.1Confident101 Ų101117.7 Ų117.771%0.70661%0.61SS**Hα-helixtrans-53.2-29.3175-171.90000112A25S21-A25 WeakPolarHBondContact O-CB 3.45Å; S21-A25 PolarHBondContact O-N 3.04Å
22T82.8Confident74.6Confident96 Ų96114.7 Ų114.759%0.58960%0.601SS**Hα-helixtrans-67.6-36175.5560000112.7S20 A25 V26S20-T22 WeakPolarHBondContact CB-OG1 3.05Å; S20-T22 PolarHBondContact O-N 3.15Å; S20-T22 PolarHBondContact OG-N 2.96Å; S20-T22 PolarHBondContact OG-OG1 2.9Å; T22-A25 PolarHBondContact O-N 2.76Å; T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 3.25Å
23F85.9Confident75.9Confident107 Ų107113.5 Ų113.547%0.46959%0.594SS.*Hα-helixtrans-65.8-46.5176.8179.1-97.3000110.9M19 S20 A25 V26 V27M19-F23 HydrophobicContact CB-CB 4.49Å; M19-F23 HydrophobicContact CB-CD1 3.83Å; M19-F23 HydrophobicContact CB-CG 4.42Å; M19-F23 HydrophobicContact CG-CD1 4.07Å; M19-F23 HydrophobicContact CG-CE1 4.31Å; M19-F23 HydrophobicContact SD-CD1 4.11Å; M19-F23 HydrophobicContact SD-CE1 4.34Å; M19-F23 HydrophobicContact SD-CG 4.25Å; S20-F23 WeakPolarHBondContact O-CB 3.13Å; S20-F23 PolarHBondContact O-N 3.43Å; F23-A25 PolarHBondContact O-N 2.9Å; F23-V26 PolarHBondContact O-N 3.37Å; F23-V27 HydrophobicContact CD1-CG2 4.32Å; F23-V27 HydrophobicContact CE1-CG2 4Å; F23-V27 HydrophobicContact CE2-CG2 4.46Å; F23-V27 HydrophobicContact CZ-CG2 4.08Å; F23-V27 VanDerWaalsContact O-CG2 3.3Å; F23-V27 WeakPolarHBondContact O-CG2 3.05Å; F23-V27 PolarHBondContact O-N 3.09Å
24W87.4Confident77.2Confident150 Ų150114.3 Ų114.357%0.56859%0.589SS**Hα-helixtrans-64.5-38.9175.2-72.7105.1000112.6S20 V27 L28S20-W24 PolarHBondContact O-N 3.2Å; W24-V27 PolarHBondContact O-N 2.98Å; W24-L28 WeakPolarHBondContact O-CB 3.39Å; W24-L28 WeakPolarHBondContact O-CG 3.22Å; W24-L28 PolarHBondContact O-N 3.01Å
25A88.8Confident78.2Confident46 Ų46114.3 Ų114.338%0.3858%0.584SS.*Hα-helixtrans-62-43.7174.800000111.9S21 T22 F23 L28 L29S21-A25 WeakPolarHBondContact O-CB 3.45Å; S21-A25 PolarHBondContact O-N 3.04Å; T22-A25 PolarHBondContact O-N 2.76Å; F23-A25 PolarHBondContact O-N 2.9Å; A25-L28 PolarHBondContact O-N 2.89Å; A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 2.04Å
26V90.4Very high79.3Confident88 Ų88111.1 Ų111.153%0.53357%0.573SS.*Hα-helixtrans-66.3-40.7176.5171.40000111.5T22 F23 L29 T30T22-V26 WeakPolarHBondContact O-CB 3.38Å; T22-V26 VanDerWaalsContact O-CG2 3.23Å; T22-V26 WeakPolarHBondContact O-CG2 3.36Å; T22-V26 PolarHBondContact O-N 3.25Å; F23-V26 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 2.88Å; V26-T30 HydrophobicContact CG1-CG2 4.28Å; V26-T30 WeakPolarHBondContact O-CB 3.39Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.37Å
27V90.8Very high80.1Confident59 Ų59106.1 Ų106.136%0.35857%0.569SS.*Hα-helixtrans-63.8-43.1175.4170.90000111.1F23 W24 T30 A31F23-V27 HydrophobicContact CD1-CG2 4.32Å; F23-V27 HydrophobicContact CE1-CG2 4Å; F23-V27 HydrophobicContact CE2-CG2 4.46Å; F23-V27 HydrophobicContact CZ-CG2 4.08Å; F23-V27 VanDerWaalsContact O-CG2 3.3Å; F23-V27 WeakPolarHBondContact O-CG2 3.05Å; F23-V27 PolarHBondContact O-N 3.09Å; W24-V27 PolarHBondContact O-N 2.98Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 2.9Å; V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 2.92Å; V27-A31 PolarHBondContact O-N 3.49Å
28L90.3Very high80.4Confident115 Ų115104.8 Ų104.860%0.60257%0.57SS**Hα-helixtrans-65-44176.3-77.2166.7000111.8W24 A25 A31 L32W24-L28 WeakPolarHBondContact O-CB 3.39Å; W24-L28 WeakPolarHBondContact O-CG 3.22Å; W24-L28 PolarHBondContact O-N 3.01Å; A25-L28 PolarHBondContact O-N 2.89Å; L28-A31 PolarHBondContact O-N 3.48Å; L28-L32 WeakPolarHBondContact O-CB 3.19Å; L28-L32 PolarHBondContact O-N 2.9Å
29L89.8Confident80.5Confident126 Ų12699.2 Ų99.266%0.6656%0.555SS**Hα-helixtrans-63.1-44.7177.1-105147.5000112.2A25 V26 L32 L33A25-L29 WeakPolarHBondContact O-CB 3.43Å; A25-L29 PolarHBondContact O-N 2.04Å; V26-L29 PolarHBondContact O-N 2.88Å; L29-L32 PolarHBondContact O-N 2.86Å; L29-L33 WeakPolarHBondContact O-CB 3.02Å; L29-L33 PolarHBondContact O-N 2.92Å
30T87.2Confident80.7Confident73 Ų7397.3 Ų97.345%0.44855%0.547SS..Hα-helixtrans-66.8-40.9177.8510000111.3V26 V27 L33 V34V26-T30 HydrophobicContact CG1-CG2 4.28Å; V26-T30 WeakPolarHBondContact O-CB 3.39Å; V26-T30 VanDerWaalsContact O-CG2 3.27Å; V26-T30 WeakPolarHBondContact O-CG2 3.43Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.37Å; V27-T30 WeakPolarHBondContact CA-OG1 3.4Å; V27-T30 PolarHBondContact O-OG1 2.9Å; T30-L33 PolarHBondContact O-N 3.34Å; T30-V34 VanDerWaalsContact O-CG2 3.26Å; T30-V34 WeakPolarHBondContact O-CG2 3.44Å; T30-V34 PolarHBondContact O-N 3.49Å
31A85.4Confident80.5Confident49 Ų4997.4 Ų97.441%0.40555%0.551SS.*Hα-helixtrans-61.6-44.217300000112.1V27 L28 L33 V34 L35V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 2.92Å; V27-A31 PolarHBondContact O-N 3.49Å; L28-A31 PolarHBondContact O-N 3.48Å; A31-L33 PolarHBondContact O-N 3.44Å; A31-V34 PolarHBondContact O-N 3.16Å; A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.29Å; A31-L35 PolarHBondContact O-N 3.1Å
32L83.3Confident80.4Confident107 Ų10796.2 Ų96.256%0.5655%0.548SS*.Hα-helixtrans-61.6-43.9176.2-12897.1000111.5L28 L29 L35 Y36L28-L32 WeakPolarHBondContact O-CB 3.19Å; L28-L32 PolarHBondContact O-N 2.9Å; L29-L32 PolarHBondContact O-N 2.86Å; L32-L35 PolarHBondContact O-N 3.4Å; L32-Y36 WeakPolarHBondContact O-CB 3.33Å; L32-Y36 PolarHBondContact O-N 2.77Å
33L81.4Confident80.3Confident113 Ų11393.3 Ų93.359%0.59254%0.536SS*.Hα-helixtrans-64.1-43.1-179.8-170.473.6000111.6L29 T30 A31 L35 Y36 C37L29-L33 WeakPolarHBondContact O-CB 3.02Å; L29-L33 PolarHBondContact O-N 2.92Å; T30-L33 PolarHBondContact O-N 3.34Å; A31-L33 PolarHBondContact O-N 3.44Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.02Å; L33-Y36 PolarHBondContact O-N 2.88Å; L33-C37 WeakPolarHBondContact O-CB 3.18Å; L33-C37 PolarHBondContact O-N 3.45Å
34V78.1Confident80.3Confident112 Ų11291 Ų9168%0.67953%0.531SS*.Hα-helixtrans-63.3-40.4175.51710000111.1T30 A31 Y36T30-V34 VanDerWaalsContact O-CG2 3.26Å; T30-V34 WeakPolarHBondContact O-CG2 3.44Å; T30-V34 PolarHBondContact O-N 3.49Å; A31-V34 PolarHBondContact O-N 3.16Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 2.95Å
35L74.4Confident80.5Confident120 Ų12085.3 Ų85.363%0.62851%0.514SS*.Hα-helixtrans-65-35.4175.1-74.4166.3000112.5A31 L32 L33A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 VanDerWaalsContact O-CG 3.28Å; A31-L35 WeakPolarHBondContact O-CG 3.29Å; A31-L35 PolarHBondContact O-N 3.1Å; L32-L35 PolarHBondContact O-N 3.4Å; L33-L35 VanDerWaalsContact C-N 3.33Å; L33-L35 PolarHBondContact O-N 3.02Å
36Y71.4Confident80.5Confident167 Ų16789 Ų8966%0.65552%0.523SS*.Hα-helixtrans-79-43.5-178.3-120.1-95.7000113.2L32 L33 V34 G38 Q39L32-Y36 WeakPolarHBondContact O-CB 3.33Å; L32-Y36 PolarHBondContact O-N 2.77Å; L33-Y36 PolarHBondContact O-N 2.88Å; V34-Y36 VanDerWaalsContact C-N 3.32Å; V34-Y36 PolarHBondContact O-N 2.95Å; Y36-G38 PolarHBondContact O-N 3.46Å; Y36-G38 VanDerWaalsContact O-N 3.12Å; Y36-Q39 PolarHBondContact O-N 3.48Å; Y36-Q39 VanDerWaalsContact O-N 3.15Å
37C64.3Low80.5Confident109 Ų10988.3 Ų88.374%0.73652%0.516SS*.Hα-helixtrans-64.7-16.4-179.2-840000114.1L33L33-C37 WeakPolarHBondContact O-CB 3.18Å; L33-C37 PolarHBondContact O-N 3.45Å
38G64.4Low80.4Confident54 Ų5488.8 Ų88.856%0.55752%0.519SS*.THydrogen-bonded Turntrans-86.6-6176.900000115.1Y36Y36-G38 PolarHBondContact O-N 3.46Å; Y36-G38 VanDerWaalsContact O-N 3.12Å
39Q67Low80.2Confident139 Ų13986.8 Ų86.865%0.6551%0.512SS*.  trans-91112.5-174.9-61.9-169.8300111Y36Y36-Q39 PolarHBondContact O-N 3.48Å; Y36-Q39 VanDerWaalsContact O-N 3.15Å
40L69.4Low80.1Confident47 Ų4786.3 Ų86.325%0.24651%0.509CS..PPolyproline II helixtrans-64.2142168.9-78.9134.9000110.3E46 R67 A69L40-E46 HydrophobicContact CD2-CB 3.76Å; L40-R67 HydrophobicContact CD1-CB 3.47Å; L40-R67 VanDerWaalsContact CD1-CB 3.47Å; L40-A69 HydrophobicContact CB-CB 3.7Å
41A76.7Confident80Confident67 Ų6787.6 Ų87.655%0.55451%0.513SS*.PPolyproline II helixtrans-57.6139.7173.100000111G43 T44A41-G43 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact O-N 3.15Å; A41-T44 HydrophobicContact CB-CG2 3.94Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.07Å; A41-T44 PolarHBondContact O-OG1 2.9Å
42A79.3Confident80Confident77 Ų7792.3 Ų92.364%0.63653%0.525SS*.THydrogen-bonded Turntrans-62.9120.3-178.100000111.4
43G80.4Confident80.2Confident34 Ų3490.6 Ų90.635%0.35152%0.516SS..THydrogen-bonded Turntrans101.83.2-176.600000114.4A41 A69A41-G43 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact O-N 3.15Å; G43-A69 WeakPolarHBondContact CA-O 3.45Å; G43-A69 PolarHBondContact N-O 2.84Å
44T86.4Confident80.3Confident58 Ų5889.3 Ų89.336%0.35652%0.516SS..EExtended strand (participates in β ladder)trans-105.2151.8-178.270.30000113A41 C68 A69A41-T44 HydrophobicContact CB-CG2 3.94Å; A41-T44 PolarHBondContact O-N 3.43Å; A41-T44 VanDerWaalsContact O-N 3.07Å; A41-T44 PolarHBondContact O-OG1 2.9Å; T44-C68 WeakPolarHBondContact O-CA 3.38Å; T44-A69 PolarHBondContact O-N 2.83Å
45C91.3Very high80.6Confident32 Ų3288.1 Ų88.122%0.21651%0.513CS..EExtended strand (participates in β ladder)trans-127.6133.4170.8-73.20000108.9R67 C68 P83 A84C45-R67 CarbonylContact C-O 3.59Å; C45-R67 VanDerWaalsContact CA-O 3.32Å; C45-R67 WeakPolarHBondContact CA-O 3.37Å; C45-C68 HydrophobicContact CB-CB 4.16Å; C45-C68 WeakPolarHBondContact CB-SG 3.4Å; C45-C68 WeakPolarHBondContact SG-CB 3.43Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.95Å; C45-P83 HydrophobicContact CB-CB 3.92Å; C45-P83 HydrophobicContact CB-CG 4.17Å; C45-P83 WeakPolarHBondContact CB-O 3.37Å; C45-A84 VanDerWaalsContact SG-C 3.58Å
46E89.8Confident80.9Confident122 Ų12287 Ų8757%0.5751%0.505SS*.EExtended strand (participates in β ladder)trans-125.9137.9177.9-172.9179-171.700110.2L40 V48 A66 R67L40-E46 HydrophobicContact CD2-CB 3.76Å; E46-V48 PolarHBondContact O-N 2.85Å; E46-A66 CarbonylContact O-C 3.57Å; E46-A66 WeakPolarHBondContact O-CA 3.38Å; E46-A66 WeakPolarHBondContact O-CB 3.37Å; E46-R67 PolarHBondContact N-O 3.17Å; E46-R67 PolarHBondContact O-N 3.13Å
47I89.6Confident81.1Confident75 Ų7585.6 Ų85.639%0.38552%0.516SS..EExtended strand (participates in β ladder)trans-81.9117.1177.5-58.9168.1000108.2P83I47-P83 HydrophobicContact CD1-CG 4.29Å; I47-P83 HydrophobicContact CG1-CG 3.67Å
48V88.4Confident81.9Confident69 Ų6992.5 Ų92.542%0.41853%0.527SS..EExtended strand (participates in β ladder)trans-93.6-40-177-174.80000111.6E46 T65 R67E46-V48 PolarHBondContact O-N 2.85Å; V48-T65 PolarHBondContact N-O 2.89Å; V48-R67 HydrophobicContact CG2-CB 3.89Å; V48-R67 HydrophobicContact CG2-CG 3.53Å
49T87.1Confident82.7Confident73 Ų7397.1 Ų97.145%0.44853%0.527SS..EExtended strand (participates in β ladder)trans-140140.7177.458.90000111T65T49-T65 PolarHBondContact N-O 2.76Å; T49-T65 PolarHBondContact O-N 2.88Å; T49-T65 WeakPolarHBondContact OG1-CB 3.31Å; T49-T65 PolarHBondContact OG1-OG1 3.09Å
50L87.3Confident83.6Confident115 Ų11593.6 Ų93.660%0.60252%0.515SS*.EExtended strand (participates in β ladder)trans-125.5113.3173.4178.764.6000107.9Q64L50-Q64 HydrophobicContact CD1-CB 4.4Å; L50-Q64 HydrophobicContact CD1-CG 3.54Å
51N85.8Confident84.3Confident100 Ų10093.4 Ų93.454%0.53551%0.514SS..EExtended strand (participates in β ladder)trans-114129.2175.4-173.31.7000109.3A62 R63N51-A62 CarbonylContact O-C 3.45Å; N51-R63 HydrophobicContact CB-CB 4.39Å; N51-R63 PolarHBondContact N-O 3.36Å; N51-R63 PolarHBondContact O-N 2.84Å
52K85.1Confident84.7Confident148 Ų14893.4 Ų93.464%0.64351%0.514SS*.EExtended strand (participates in β ladder)trans-123.7115.5179.6-174179.6177.7-176.50108.5T60K52-T60 HydrophobicContact CD-CG2 4.22Å; K52-T60 VanDerWaalsContact CE-CG2 3.45Å; K52-T60 HydrophobicContact CG-CG2 3.72Å
53D86.1Confident84.9Confident71 Ų7197.6 Ų97.638%0.3851%0.514SS..EExtended strand (participates in β ladder)trans-104.3115.3177.3-173.5-3.7000109.4S55 T60 I61D53-S55 WeakPolarHBondContact OD1-CB 3.15Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.31Å; D53-S55 PolarHBondContact OD2-OG 2.98Å; D53-T60 WeakPolarHBondContact O-CA 3.35Å; D53-I61 HydrophobicContact CB-CB 4.41Å; D53-I61 PolarHBondContact N-O 2.79Å; D53-I61 PolarHBondContact O-N 2.72Å
54S83.8Confident85.2Confident86 Ų86101 Ų10160%0.60152%0.521SS*.EExtended strand (participates in β ladder)trans-110.817.3176.461.90000112.7Q56S54-Q56 PolarHBondContact O-N 2.85Å
55S84.3Confident85.3Confident88 Ų88102 Ų10262%0.61553%0.527SS*.EExtended strand (participates in β ladder)trans-58-27.3178.556.10000113.2D53D53-S55 WeakPolarHBondContact OD1-CB 3.15Å; D53-S55 PolarHBondContact OD1-N 3.49Å; D53-S55 PolarHBondContact OD1-OG 3.31Å; D53-S55 PolarHBondContact OD2-OG 2.98Å
56Q81.8Confident85.2Confident96 Ų96102.3 Ų102.345%0.44953%0.532SS..EExtended strand (participates in β ladder)trans-94121175.5-66.7177.319.900111S54 R58 R59S54-Q56 PolarHBondContact O-N 2.85Å; Q56-R58 VanDerWaalsContact C-N 3.27Å; Q56-R58 PolarHBondContact O-N 2.83Å; Q56-R59 HydrophobicContact CB-CB 4.26Å; Q56-R59 WeakPolarHBondContact CB-O 3.2Å; Q56-R59 CarbonylContact O-C 3.55Å; Q56-R59 PolarHBondContact O-N 3.34Å; Q56-R59 VanDerWaalsContact O-N 3.14Å
57P75.4Confident85.3Confident137 Ų137104 Ų10489%0.8953%0.532SS*.THydrogen-bonded Turntrans-65.6-26.6-173.922.9-32.4000113.8
58R80.8Confident85.4Confident254 Ų254102.3 Ų102.396%0.95853%0.527SS*.THydrogen-bonded Turntrans-94.9-10.9177.2-73.4-169.2-178.9178.21.4114.2Q56Q56-R58 VanDerWaalsContact C-N 3.27Å; Q56-R58 PolarHBondContact O-N 2.83Å
59R81.7Confident85.5Confident152 Ų152100.4 Ų100.457%0.57452%0.519SS*.EExtended strand (participates in β ladder)trans-143.8121.1-171.9-173.9179.9-177.3178.51.7111.2Q56 I61Q56-R59 HydrophobicContact CB-CB 4.26Å; Q56-R59 WeakPolarHBondContact CB-O 3.2Å; Q56-R59 CarbonylContact O-C 3.55Å; Q56-R59 PolarHBondContact O-N 3.34Å; Q56-R59 VanDerWaalsContact O-N 3.14Å; R59-I61 HydrophobicContact CG-CG1 4.32Å
60T85.1Confident85.8Confident64 Ų6498.8 Ų98.839%0.39351%0.51SS..EExtended strand (participates in β ladder)trans-97.3126168.7-47.30000109.5K52 D53K52-T60 HydrophobicContact CD-CG2 4.22Å; K52-T60 VanDerWaalsContact CE-CG2 3.45Å; K52-T60 HydrophobicContact CG-CG2 3.72Å; D53-T60 WeakPolarHBondContact O-CA 3.35Å
61I84.4Confident86Confident43 Ų4399.5 Ų99.522%0.22151%0.508CS..EExtended strand (participates in β ladder)trans-100.6113.9175.4-58.9175.4000107.7D53 R59 R63D53-I61 HydrophobicContact CB-CB 4.41Å; D53-I61 PolarHBondContact N-O 2.79Å; D53-I61 PolarHBondContact O-N 2.72Å; R59-I61 HydrophobicContact CG-CG1 4.32Å; I61-R63 HydrophobicContact CG2-CG 4.2Å
62A84.6Confident86.3Confident68 Ų68105.2 Ų105.256%0.56253%0.528SS*.EExtended strand (participates in β ladder)trans-103121.7172.300000109.2N51N51-A62 CarbonylContact O-C 3.45Å
63R84.8Confident86.5Confident164 Ų164100.5 Ų100.562%0.61952%0.522SS*.EExtended strand (participates in β ladder)trans-109.2119.7174.3-65.1179.1-177.9-91.21.9108.4N51 I61N51-R63 HydrophobicContact CB-CB 4.39Å; N51-R63 PolarHBondContact N-O 3.36Å; N51-R63 PolarHBondContact O-N 2.84Å; I61-R63 HydrophobicContact CG2-CG 4.2Å
64Q85.4Confident86.9Confident107 Ų107101 Ų10150%0.552%0.522SS..EExtended strand (participates in β ladder)trans-110.8128.8173.7-47.5-160.4-34.500108.2L50L50-Q64 HydrophobicContact CD1-CB 4.4Å; L50-Q64 HydrophobicContact CD1-CG 3.54Å
65T88.4Confident87.4Confident78 Ų78100.3 Ų100.348%0.47951%0.511SS..EExtended strand (participates in β ladder)trans-106.5119.3169.1-44.70000107.5V48 T49V48-T65 PolarHBondContact N-O 2.89Å; T49-T65 PolarHBondContact N-O 2.76Å; T49-T65 PolarHBondContact O-N 2.88Å; T49-T65 WeakPolarHBondContact OG1-CB 3.31Å; T49-T65 PolarHBondContact OG1-OG1 3.09Å
66A90.3Very high87.8Confident39 Ų3998.7 Ų98.732%0.32250%0.503SS..EExtended strand (participates in β ladder)trans-113.8145.517500000110.1E46 P83E46-A66 CarbonylContact O-C 3.57Å; E46-A66 WeakPolarHBondContact O-CA 3.38Å; E46-A66 WeakPolarHBondContact O-CB 3.37Å; A66-P83 HydrophobicContact CB-CB 3.55Å; A66-P83 HydrophobicContact CB-CG 3.72Å
67R90.3Very high88.3Confident156 Ų15694.9 Ų94.959%0.58949%0.489SS*.EExtended strand (participates in β ladder)trans-99.9128.3164.8-76.8177.7-177.3178.1-1.1108L40 C45 E46 V48L40-R67 HydrophobicContact CD1-CB 3.47Å; L40-R67 VanDerWaalsContact CD1-CB 3.47Å; C45-R67 CarbonylContact C-O 3.59Å; C45-R67 VanDerWaalsContact CA-O 3.32Å; C45-R67 WeakPolarHBondContact CA-O 3.37Å; E46-R67 PolarHBondContact N-O 3.17Å; E46-R67 PolarHBondContact O-N 3.13Å; V48-R67 HydrophobicContact CG2-CB 3.89Å; V48-R67 HydrophobicContact CG2-CG 3.53Å
68C91.6Very high89.1Confident41 Ų4190 Ų9028%0.27746%0.457SS..EExtended strand (participates in β ladder)trans-125.3135.2-179.2-71.30000110.2T44 C45 A76T44-C68 WeakPolarHBondContact O-CA 3.38Å; C45-C68 HydrophobicContact CB-CB 4.16Å; C45-C68 WeakPolarHBondContact CB-SG 3.4Å; C45-C68 WeakPolarHBondContact SG-CB 3.43Å; C45-C68 CovalentContact SG-SG 2.04Å; C45-C68 PolarHBondContact SG-SG 2.95Å; C68-A76 HydrophobicContact CB-CB 3.85Å
69A92Very high89.7Confident29 Ų2980.2 Ų80.224%0.2443%0.425CS..EExtended strand (participates in β ladder)trans-11187.2169.700000108.7L40 G43 T44L40-A69 HydrophobicContact CB-CB 3.7Å; G43-A69 WeakPolarHBondContact CA-O 3.45Å; G43-A69 PolarHBondContact N-O 2.84Å; T44-A69 PolarHBondContact O-N 2.83Å
70C92.6Very high90.3Very high39 Ų3979.7 Ų79.726%0.26442%0.423SS..PPolyproline II helixtrans-88.5150-177-60.20000113Q74 I75 C85C70-Q74 HydrophobicContact CB-CB 3.92Å; C70-I75 VanDerWaalsContact SG-C 3.57Å; C70-C85 WeakPolarHBondContact CA-SG 3.27Å; C70-C85 HydrophobicContact CB-CB 3.8Å; C70-C85 WeakPolarHBondContact CB-SG 3.39Å; C70-C85 VanDerWaalsContact SG-CA 3.56Å; C70-C85 WeakPolarHBondContact SG-CB 3.37Å; C70-C85 CovalentContact SG-SG 2.05Å; C70-C85 PolarHBondContact SG-SG 3.15Å
71K91.7Very high90.5Very high129 Ų12979.1 Ų79.156%0.56143%0.425SS*.PPolyproline II helixtrans-72.6165176.9-64.8179.8-179177.20110.9G73 Q74K71-G73 PolarHBondContact O-N 3.04Å; K71-Q74 WeakPolarHBondContact O-CB 3.13Å; K71-Q74 PolarHBondContact O-N 2.87Å
72K91.3Very high90.8Very high220 Ų22085.8 Ų85.896%0.95745%0.447SS*.THydrogen-bonded Turntrans-56.1126.6175.3-171179-179.1-1790110.1
73G91.1Very high91.2Very high50 Ų5083.9 Ų83.952%0.51543%0.429SS..THydrogen-bonded Turntrans92.2-9.7-176.400000114.6K71 A88K71-G73 PolarHBondContact O-N 3.04Å; G73-A88 WeakPolarHBondContact O-CB 3.36Å; G73-A88 PolarHBondContact O-N 3.11Å; G73-A88 VanDerWaalsContact O-N 3.09Å
74Q94.4Very high91.6Very high80 Ų8077.3 Ų77.337%0.37441%0.41SS..EExtended strand (participates in β ladder)trans-105.6156.6173.7-65.6-178.9-34.500111.5C70 K71 C85 V86C70-Q74 HydrophobicContact CB-CB 3.92Å; K71-Q74 WeakPolarHBondContact O-CB 3.13Å; K71-Q74 PolarHBondContact O-N 2.87Å; Q74-C85 HydrophobicContact CB-CB 4.24Å; Q74-V86 CarbonylContact C-O 3.5Å; Q74-V86 WeakPolarHBondContact CA-O 3.05Å; Q74-V86 WeakPolarHBondContact CB-O 3.48Å
75I92.6Very high92Very high73 Ų7373.3 Ų73.337%0.37439%0.393SS..EExtended strand (participates in β ladder)trans-134.9157.4174.5-167.3165.6000109.7C70 G77 C85 V86 A88 V91C70-I75 VanDerWaalsContact SG-C 3.57Å; I75-G77 PolarHBondContact O-N 2.78Å; I75-C85 WeakPolarHBondContact O-CA 3.24Å; I75-V86 HydrophobicContact CG2-CG2 4.12Å; I75-V86 PolarHBondContact N-O 2.05Å; I75-V86 PolarHBondContact O-N 2.68Å; I75-A88 HydrophobicContact CB-CB 4.42Å; I75-A88 HydrophobicContact CG2-CB 4.29Å; I75-V91 HydrophobicContact CG2-CB 4Å; I75-V91 HydrophobicContact CG2-CG2 3.48Å; I75-V91 VanDerWaalsContact CG2-CG2 3.48Å
76A93.1Very high92.3Very high54 Ų5470 Ų7045%0.44637%0.373SS..EExtended strand (participates in β ladder)trans-60.7129.9171.400000109.9C68C68-A76 HydrophobicContact CB-CB 3.85Å
77G93.3Very high92.5Very high15 Ų1572.8 Ų72.816%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-149.3-156.9175.700000109.6I75 P83 A84I75-G77 PolarHBondContact O-N 2.78Å; G77-P83 WeakPolarHBondContact O-CA 3.04Å; G77-A84 CarbonylContact C-O 3.43Å; G77-A84 PolarHBondContact N-O 3.07Å; G77-A84 PolarHBondContact O-N 3.2Å; G77-A84 VanDerWaalsContact O-O 3.13Å
78T92.3Very high92.7Very high36 Ų3666 Ų6622%0.22136%0.36CS..EExtended strand (participates in β ladder)trans-135.7132.8-176.551.90000110.6R82 M99 P101 W117T78-R82 CarbonylContact C-O 3.49Å; T78-R82 VanDerWaalsContact CA-O 3.28Å; T78-R82 WeakPolarHBondContact CA-O 3.36Å; T78-M99 WeakPolarHBondContact O-CG 3.32Å; T78-P101 WeakPolarHBondContact OG1-CB 3.14Å; T78-W117 HydrophobicContact CG2-CH2 4.29Å; T78-W117 HydrophobicContact CG2-CZ2 4.15Å; T78-W117 WeakPolarHBondContact OG1-CH2 3.49Å; T78-W117 WeakPolarHBondContact OG1-CZ2 3.43Å
79T93.6Very high92.9Very high48 Ų4865 Ų6529%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-135.4131174.9-58.90000108.1A81 R82 M99 V100T79-A81 PolarHBondContact O-N 3.36Å; T79-R82 PolarHBondContact N-O 2.95Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-R82 VanDerWaalsContact O-O 3.09Å; T79-M99 PolarHBondContact OG1-O 3.25Å; T79-V100 CarbonylContact C-O 3.58Å; T79-V100 WeakPolarHBondContact CA-O 3.47Å
80R92.8Very high93Very high141 Ų14164.9 Ų64.953%0.53235%0.352SS..THydrogen-bonded Turntrans48.852.3-179.4-65.7177.8170.9164.1-1.7113.5R82 V100 E104R80-R82 PolarHBondContact O-N 3.14Å; R80-R82 VanDerWaalsContact O-N 3.11Å; R80-V100 PolarHBondContact N-O 3.29Å; R80-E104 IonicContact CZ-OE1 2.9Å; R80-E104 IonicContact NE-OE1 2.72Å; R80-E104 PolarHBondContact NE-OE1 2.86Å; R80-E104 IonicContact NH2-OE1 3.88Å; R80-E104 PolarHBondContact NH2-OE1 3Å
81A89.6Confident92.9Very high51 Ų5164.7 Ų64.742%0.42135%0.35SS..THydrogen-bonded Turntrans56.423.5-17900000115.1T79 P101 L103T79-A81 PolarHBondContact O-N 3.36Å; A81-P101 PolarHBondContact N-O 2.88Å; A81-L103 HydrophobicContact CB-CD2 4.48Å; A81-L103 HydrophobicContact CB-CG 4.39Å
82R90.5Very high92.9Very high184 Ų18468.6 Ų68.669%0.69436%0.361SS*.EExtended strand (participates in β ladder)trans-132.3152.6177.3-70.2-174.4178129.7-0.7111.4T78 T79 R80T78-R82 CarbonylContact C-O 3.49Å; T78-R82 VanDerWaalsContact CA-O 3.28Å; T78-R82 WeakPolarHBondContact CA-O 3.36Å; T79-R82 PolarHBondContact N-O 2.95Å; T79-R82 PolarHBondContact O-N 2.94Å; T79-R82 VanDerWaalsContact O-O 3.09Å; R80-R82 PolarHBondContact O-N 3.14Å; R80-R82 VanDerWaalsContact O-N 3.11Å
83P92.8Very high93.1Very high27 Ų2765.2 Ų65.218%0.17535%0.346CS..EExtended strand (participates in β ladder)trans-67.3135.3175.430.4-36.2000110.5C45 I47 A66 G77C45-P83 HydrophobicContact CB-CB 3.92Å; C45-P83 HydrophobicContact CB-CG 4.17Å; C45-P83 WeakPolarHBondContact CB-O 3.37Å; I47-P83 HydrophobicContact CD1-CG 4.29Å; I47-P83 HydrophobicContact CG1-CG 3.67Å; A66-P83 HydrophobicContact CB-CB 3.55Å; A66-P83 HydrophobicContact CB-CG 3.72Å; G77-P83 WeakPolarHBondContact O-CA 3.04Å
84A93.6Very high93.2Very high26 Ų2669.2 Ų69.222%0.21535%0.346CS..EExtended strand (participates in β ladder)trans-149.4160.9-178.500000111C45 G77C45-A84 VanDerWaalsContact SG-C 3.58Å; G77-A84 CarbonylContact C-O 3.43Å; G77-A84 PolarHBondContact N-O 3.07Å; G77-A84 PolarHBondContact O-N 3.2Å; G77-A84 VanDerWaalsContact O-O 3.13Å
85C93.9Very high93.2Very high23 Ų2368.4 Ų68.416%0.15534%0.342CS..EExtended strand (participates in β ladder)trans-87.6119.7170.5-68.70000110C70 Q74 I75C70-C85 WeakPolarHBondContact CA-SG 3.27Å; C70-C85 HydrophobicContact CB-CB 3.8Å; C70-C85 WeakPolarHBondContact CB-SG 3.39Å; C70-C85 VanDerWaalsContact SG-CA 3.56Å; C70-C85 WeakPolarHBondContact SG-CB 3.37Å; C70-C85 CovalentContact SG-SG 2.05Å; C70-C85 PolarHBondContact SG-SG 3.15Å; Q74-C85 HydrophobicContact CB-CB 4.24Å; I75-C85 WeakPolarHBondContact O-CA 3.24Å
86V94.9Very high93.3Very high10 Ų1066 Ų666%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-118.9166-176.9-57.60000110.3Q74 I75 A88 V91 M99Q74-V86 CarbonylContact C-O 3.5Å; Q74-V86 WeakPolarHBondContact CA-O 3.05Å; Q74-V86 WeakPolarHBondContact CB-O 3.48Å; I75-V86 HydrophobicContact CG2-CG2 4.12Å; I75-V86 PolarHBondContact N-O 2.05Å; I75-V86 PolarHBondContact O-N 2.68Å; V86-A88 PolarHBondContact O-N 2.88Å; V86-V91 HydrophobicContact CG2-CG2 4.11Å; V86-M99 HydrophobicContact CB-CB 4.29Å; V86-M99 HydrophobicContact CG1-CB 3.82Å
87D95.3Very high93.4Very high96 Ų9665.2 Ų65.251%0.51332%0.319SS..EExtended strand (participates in β ladder)trans-62.1128.9175.6-171.7-23.8000110.7G89 I90D87-G89 PolarHBondContact O-N 2.75Å; D87-G89 VanDerWaalsContact O-N 3.17Å; D87-G89 PolarHBondContact OD1-N 2.04Å; D87-I90 HydrophobicContact CB-CD1 4.07Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 WeakPolarHBondContact O-CB 3.43Å; D87-I90 PolarHBondContact O-N 3.39Å; D87-I90 VanDerWaalsContact O-N 3.1Å
88A94.2Very high93.5Very high13 Ų1369.6 Ų69.611%0.10734%0.336CS..Hα-helixtrans-58.3-26.1175.800000113.1G73 I75 V86 I90 V91 R92G73-A88 WeakPolarHBondContact O-CB 3.36Å; G73-A88 PolarHBondContact O-N 3.11Å; G73-A88 VanDerWaalsContact O-N 3.09Å; I75-A88 HydrophobicContact CB-CB 4.42Å; I75-A88 HydrophobicContact CG2-CB 4.29Å; V86-A88 PolarHBondContact O-N 2.88Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.63Å; A88-V91 PolarHBondContact O-N 2.84Å; A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.24Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 2.83Å
89G94.8Very high93.6Very high22 Ų2268.3 Ų68.323%0.22733%0.327CS..Hα-helixtrans-59.2-40.5174.200000113D87 R92 K93D87-G89 PolarHBondContact O-N 2.75Å; D87-G89 VanDerWaalsContact O-N 3.17Å; D87-G89 PolarHBondContact OD1-N 2.04Å; G89-R92 PolarHBondContact O-N 2.82Å; G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 VanDerWaalsContact O-CG 3.29Å; G89-K93 WeakPolarHBondContact O-CG 3.47Å; G89-K93 PolarHBondContact O-N 3.19Å
90I94Very high93.7Very high26 Ų2669.7 Ų69.713%0.13334%0.335CS..Hα-helixtrans-61.8-48.3179.8-63.1171.1000110D87 A88 K93 R94 Q95 E98 M99D87-I90 HydrophobicContact CB-CD1 4.07Å; D87-I90 HydrophobicContact CB-CG1 4.18Å; D87-I90 WeakPolarHBondContact O-CB 3.43Å; D87-I90 PolarHBondContact O-N 3.39Å; D87-I90 VanDerWaalsContact O-N 3.1Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 2.63Å; I90-K93 PolarHBondContact O-N 2.93Å; I90-R94 PolarHBondContact O-N 2.9Å; I90-Q95 HydrophobicContact CG2-CB 4.37Å; I90-Q95 WeakPolarHBondContact CG2-O 3.33Å; I90-Q95 PolarHBondContact O-N 2.84Å; I90-E98 HydrophobicContact CD1-CB 4.29Å; I90-E98 HydrophobicContact CG1-CB 4.28Å; I90-E98 HydrophobicContact CG2-CB 4.1Å; I90-M99 HydrophobicContact CG2-CB 4.34Å; I90-M99 HydrophobicContact CG2-CG 4.48Å
91V91.8Very high93.8Very high35 Ų3563.1 Ų63.121%0.21231%0.311CS..Hα-helixtrans-67.3-42.9179.8177.40000111.2I75 V86 A88 K93 R94 W96I75-V91 HydrophobicContact CG2-CB 4Å; I75-V91 HydrophobicContact CG2-CG2 3.48Å; I75-V91 VanDerWaalsContact CG2-CG2 3.48Å; V86-V91 HydrophobicContact CG2-CG2 4.11Å; A88-V91 PolarHBondContact O-N 2.84Å; V91-K93 PolarHBondContact O-N 2.8Å; V91-R94 PolarHBondContact O-N 2.8Å; V91-R94 VanDerWaalsContact O-N 3.09Å; V91-W96 HydrophobicContact CB-CZ3 4.19Å; V91-W96 HydrophobicContact CG1-CH2 3.89Å; V91-W96 HydrophobicContact CG1-CZ3 3.82Å; V91-W96 HydrophobicContact CG2-CZ3 4.06Å
92R92.1Very high94Very high211 Ų21161 Ų6180%0.79629%0.292SS*.Hα-helixtrans-63.3-40.3178.1-76.1174.7-177.8171.31.3112.7A88 G89 R94A88-R92 WeakPolarHBondContact O-CB 3.47Å; A88-R92 VanDerWaalsContact O-CG 3.24Å; A88-R92 WeakPolarHBondContact O-CG 3.44Å; A88-R92 PolarHBondContact O-N 2.83Å; G89-R92 PolarHBondContact O-N 2.82Å; R92-R94 PolarHBondContact O-N 3.48Å
93K94.3Very high94.2Very high149 Ų14955.9 Ų55.965%0.64828%0.279SS*.THydrogen-bonded Turntrans-80.8-4.3176.5-65.2174.8-177.9176.70112.8G89 I90 V91 Q95G89-K93 WeakPolarHBondContact O-CB 3.28Å; G89-K93 VanDerWaalsContact O-CG 3.29Å; G89-K93 WeakPolarHBondContact O-CG 3.47Å; G89-K93 PolarHBondContact O-N 3.19Å; I90-K93 PolarHBondContact O-N 2.93Å; V91-K93 PolarHBondContact O-N 2.8Å; K93-Q95 HydrophobicContact CB-CG 3.78Å; K93-Q95 PolarHBondContact O-N 3.19Å
94R93.6Very high94.1Very high134 Ų13461 Ų6151%0.50630%0.3SS..THydrogen-bonded Turntrans56.933.8-176.4-51.9179.1-175.6-178.60112.6I90 V91 R92 W96 K114I90-R94 PolarHBondContact O-N 2.9Å; V91-R94 PolarHBondContact O-N 2.8Å; V91-R94 VanDerWaalsContact O-N 3.09Å; R92-R94 PolarHBondContact O-N 3.48Å; R94-W96 HydrophobicContact CB-CZ2 4.2Å; R94-W96 HydrophobicContact CG-CZ2 4.23Å; R94-W96 PolarHBondContact O-N 2.82Å; R94-W96 VanDerWaalsContact O-N 3.16Å; R94-K114 HydrophobicContact CB-CB 4.13Å
95Q94.4Very high94Very high63 Ų6366.3 Ų66.329%0.29433%0.325SS..  trans-89.456.8-179.4-67.2179.5-71.100110.2I90 K93 C97 E98I90-Q95 HydrophobicContact CG2-CB 4.37Å; I90-Q95 WeakPolarHBondContact CG2-O 3.33Å; I90-Q95 PolarHBondContact O-N 2.84Å; K93-Q95 HydrophobicContact CB-CG 3.78Å; K93-Q95 PolarHBondContact O-N 3.19Å; Q95-C97 PolarHBondContact O-N 3.15Å; Q95-E98 HydrophobicContact CB-CB 4.37Å; Q95-E98 HydrophobicContact CB-CG 3.93Å; Q95-E98 PolarHBondContact NE2-OE1 2.92Å; Q95-E98 WeakPolarHBondContact O-CB 3.42Å; Q95-E98 PolarHBondContact O-N 3.49Å; Q95-E98 PolarHBondContact OE1-OE2 2.9Å
96W94.5Very high94.1Very high22 Ų2266.1 Ų66.18%0.08332%0.322CS..G310 helixtrans-57.7-26.8-166.1-50.4113.1000115.3V91 R94 E98 M99 P101 L110 K114 G116 W117 A131V91-W96 HydrophobicContact CB-CZ3 4.19Å; V91-W96 HydrophobicContact CG1-CH2 3.89Å; V91-W96 HydrophobicContact CG1-CZ3 3.82Å; V91-W96 HydrophobicContact CG2-CZ3 4.06Å; R94-W96 HydrophobicContact CB-CZ2 4.2Å; R94-W96 HydrophobicContact CG-CZ2 4.23Å; R94-W96 PolarHBondContact O-N 2.82Å; R94-W96 VanDerWaalsContact O-N 3.16Å; W96-E98 VanDerWaalsContact C-N 3.32Å; W96-M99 HydrophobicContact CB-CE 3.75Å; W96-M99 HydrophobicContact CD2-CE 4.35Å; W96-M99 HydrophobicContact CE3-CE 3.67Å; W96-M99 HydrophobicContact CG-CE 4.43Å; W96-M99 WeakPolarHBondContact O-CE 3.06Å; W96-M99 WeakPolarHBondContact O-CG 3.44Å; W96-P101 WeakPolarHBondContact O-CD 3.16Å; W96-L110 HydrophobicContact CB-CD2 3.64Å; W96-L110 HydrophobicContact CG-CD2 4.09Å; W96-K114 PolarHBondContact NE1-O 2.8Å; W96-G116 VanDerWaalsContact CD1-C 3.49Å; W96-W117 HydrophobicContact CB-CB 4.02Å; W96-W117 HydrophobicContact CB-CD2 4.18Å; W96-W117 HydrophobicContact CB-CE3 3.65Å; W96-W117 HydrophobicContact CB-CG 4.36Å; W96-W117 HydrophobicContact CB-CZ3 4.47Å; W96-W117 HydrophobicContact CD2-CE3 4.11Å; W96-W117 HydrophobicContact CD2-CZ3 4.28Å; W96-W117 HydrophobicContact CE3-CE3 4.32Å; W96-W117 HydrophobicContact CE3-CZ3 4.07Å; W96-W117 AromaticContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CZ3 4.47Å; W96-A131 HydrophobicContact CH2-CB 3.45Å; W96-A131 VanDerWaalsContact CH2-CB 3.45Å; W96-A131 HydrophobicContact CZ2-CB 3.75Å; W96-A131 HydrophobicContact CZ3-CB 3.96Å
97C95.2Very high94.1Very high38 Ų3867.5 Ų67.526%0.25734%0.338SS..G310 helixtrans-76.7-17.3177.2-67.40000113.7Q95 M99 V100 C108 L110Q95-C97 PolarHBondContact O-N 3.15Å; C97-M99 VanDerWaalsContact C-N 3.26Å; C97-M99 PolarHBondContact O-N 3.49Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-V100 VanDerWaalsContact O-N 3.09Å; C97-C108 WeakPolarHBondContact CA-SG 3.28Å; C97-C108 HydrophobicContact CB-CB 3.87Å; C97-C108 WeakPolarHBondContact CB-SG 3.04Å; C97-C108 WeakPolarHBondContact SG-CB 3.02Å; C97-C108 PolarHBondContact SG-O 2.93Å; C97-C108 CovalentContact SG-SG 2.06Å; C97-C108 PolarHBondContact SG-SG 3.23Å; C97-L110 HydrophobicContact CB-CD2 4.41Å
98E95Very high94.1Very high107 Ų10764.7 Ų64.750%0.533%0.326SS..G310 helixtrans-69.7-22.5176.8-67.6-176-176.800112.9I90 Q95 W96 V100I90-E98 HydrophobicContact CD1-CB 4.29Å; I90-E98 HydrophobicContact CG1-CB 4.28Å; I90-E98 HydrophobicContact CG2-CB 4.1Å; Q95-E98 HydrophobicContact CB-CB 4.37Å; Q95-E98 HydrophobicContact CB-CG 3.93Å; Q95-E98 PolarHBondContact NE2-OE1 2.92Å; Q95-E98 WeakPolarHBondContact O-CB 3.42Å; Q95-E98 PolarHBondContact O-N 3.49Å; Q95-E98 PolarHBondContact OE1-OE2 2.9Å; W96-E98 VanDerWaalsContact C-N 3.32Å; E98-V100 PolarHBondContact O-N 3.12Å
99M94.3Very high94.2Very high9 Ų968.6 Ų68.64%0.04434%0.344CS..G310 helixtrans-78.7-0.5172.153.6172.9171.100113.9T78 T79 V86 I90 W96 C97 P101 W117T78-M99 WeakPolarHBondContact O-CG 3.32Å; T79-M99 PolarHBondContact OG1-O 3.25Å; V86-M99 HydrophobicContact CB-CB 4.29Å; V86-M99 HydrophobicContact CG1-CB 3.82Å; I90-M99 HydrophobicContact CG2-CB 4.34Å; I90-M99 HydrophobicContact CG2-CG 4.48Å; W96-M99 HydrophobicContact CB-CE 3.75Å; W96-M99 HydrophobicContact CD2-CE 4.35Å; W96-M99 HydrophobicContact CE3-CE 3.67Å; W96-M99 HydrophobicContact CG-CE 4.43Å; W96-M99 WeakPolarHBondContact O-CE 3.06Å; W96-M99 WeakPolarHBondContact O-CG 3.44Å; C97-M99 VanDerWaalsContact C-N 3.26Å; C97-M99 PolarHBondContact O-N 3.49Å; M99-P101 HydrophobicContact CE-CB 4.19Å; M99-P101 HydrophobicContact CE-CG 4.42Å; M99-P101 HydrophobicContact CG-CB 4.37Å; M99-W117 HydrophobicContact CE-CD2 4.09Å; M99-W117 HydrophobicContact CE-CE3 3.68Å; M99-W117 HydrophobicContact CE-CH2 3.66Å; M99-W117 HydrophobicContact CE-CZ2 4.06Å; M99-W117 HydrophobicContact CE-CZ3 3.47Å; M99-W117 VanDerWaalsContact CE-CZ3 3.47Å
100V95.9Very high94.3Very high77 Ų7771.2 Ų71.247%0.46735%0.353SS..  trans52.861.8-177.7-165.40000111.3T79 R80 C97 E98 C102T79-V100 CarbonylContact C-O 3.58Å; T79-V100 WeakPolarHBondContact CA-O 3.47Å; R80-V100 PolarHBondContact N-O 3.29Å; C97-V100 PolarHBondContact O-N 3.35Å; C97-V100 VanDerWaalsContact O-N 3.09Å; E98-V100 PolarHBondContact O-N 3.12Å; V100-C102 VanDerWaalsContact C-N 3.35Å; V100-C102 PolarHBondContact O-N 2.96Å
101P94.7Very high94.3Very high3 Ų371.7 Ų71.72%0.01936%0.355CS..  trans-78-20.9-170.433.1-36.4000113.2T78 A81 W96 M99 W117T78-P101 WeakPolarHBondContact OG1-CB 3.14Å; A81-P101 PolarHBondContact N-O 2.88Å; W96-P101 WeakPolarHBondContact O-CD 3.16Å; M99-P101 HydrophobicContact CE-CB 4.19Å; M99-P101 HydrophobicContact CE-CG 4.42Å; M99-P101 HydrophobicContact CG-CB 4.37Å; P101-W117 HydrophobicContact CB-CD2 4.37Å; P101-W117 HydrophobicContact CB-CG 4.49Å; P101-W117 HydrophobicContact CB-CZ2 4.07Å; P101-W117 HydrophobicContact CG-CD2 4.25Å; P101-W117 HydrophobicContact CG-CG 3.95Å
102C95.3Very high94.4Very high5 Ų577.5 Ų77.53%0.03439%0.391CS..SBendtrans-88.6167.4-179.2-52.30000111.9V100 E106 C119V100-C102 VanDerWaalsContact C-N 3.35Å; V100-C102 PolarHBondContact O-N 2.96Å; C102-E106 HydrophobicContact CB-CB 3.74Å; C102-C119 WeakPolarHBondContact CA-SG 3.09Å; C102-C119 HydrophobicContact CB-CB 3.75Å; C102-C119 WeakPolarHBondContact CB-SG 3.47Å; C102-C119 WeakPolarHBondContact SG-CA 3.48Å; C102-C119 WeakPolarHBondContact SG-CB 3.47Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3.37Å
103L94.1Very high94.5Very high78 Ų7872.2 Ų72.241%0.40838%0.378SS..  trans-72.5164169.9-67.2167.1000110.5A81 D105 E106A81-L103 HydrophobicContact CB-CD2 4.48Å; A81-L103 HydrophobicContact CB-CG 4.39Å; L103-D105 PolarHBondContact O-N 2.86Å; L103-E106 HydrophobicContact CB-CG 4.18Å; L103-E106 PolarHBondContact N-OE2 3.44Å; L103-E106 PolarHBondContact O-N 3.5Å
104E91.3Very high94.4Very high134 Ų13470.8 Ų70.863%0.62637%0.372SS*.THydrogen-bonded Turntrans-59.2-31.1-177.6-57.1-70.4146.900112.6R80 E106R80-E104 IonicContact CZ-OE1 2.9Å; R80-E104 IonicContact NE-OE1 2.72Å; R80-E104 PolarHBondContact NE-OE1 2.86Å; R80-E104 IonicContact NH2-OE1 3.88Å; R80-E104 PolarHBondContact NH2-OE1 3Å; E104-E106 VanDerWaalsContact C-N 3.34Å
105D91.4Very high94.4Very high137 Ų13765.9 Ų65.973%0.73336%0.358SS*.THydrogen-bonded Turntrans-87.42178.6-53.9-57000113.7L103 P122L103-D105 PolarHBondContact O-N 2.86Å; D105-P122 WeakPolarHBondContact O-CD 3.41Å
106E95.1Very high94.4Very high20 Ų2062.9 Ų62.99%0.09334%0.344CS..SBendtrans-110.3133.9-176-71179.3168.100111.2C102 L103 E104 C119 T120 Q121 K127C102-E106 HydrophobicContact CB-CB 3.74Å; L103-E106 HydrophobicContact CB-CG 4.18Å; L103-E106 PolarHBondContact N-OE2 3.44Å; L103-E106 PolarHBondContact O-N 3.5Å; E104-E106 VanDerWaalsContact C-N 3.34Å; E106-C119 HydrophobicContact CB-CB 4.32Å; E106-C119 WeakPolarHBondContact OE2-CB 3.33Å; E106-T120 WeakPolarHBondContact CA-O 3.23Å; E106-Q121 HydrophobicContact CG-CG 3.84Å; E106-Q121 WeakPolarHBondContact OE1-CG 3.3Å; E106-Q121 PolarHBondContact OE1-NE2 3.37Å; E106-K127 IonicContact OE1-NZ 2.76Å; E106-K127 PolarHBondContact OE1-NZ 2.92Å; E106-K127 IonicContact OE2-NZ 3.22Å
107G95Very high94.5Very high38 Ų3862.6 Ų62.639%0.39234%0.343SS..EExtended strand (participates in β ladder)trans-75.6135.7171.400000111.4C119 T120G107-C119 CarbonylContact O-C 3.58Å; G107-C119 VanDerWaalsContact O-CA 3.31Å; G107-C119 WeakPolarHBondContact O-CA 3.34Å; G107-T120 PolarHBondContact N-O 3.42Å; G107-T120 PolarHBondContact O-N 2.86Å
108C96Very high94.5Very high38 Ų3862 Ų6226%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-102.5124.6174.7-173.10000111.4C97 T118C97-C108 WeakPolarHBondContact CA-SG 3.28Å; C97-C108 HydrophobicContact CB-CB 3.87Å; C97-C108 WeakPolarHBondContact CB-SG 3.04Å; C97-C108 WeakPolarHBondContact SG-CB 3.02Å; C97-C108 PolarHBondContact SG-O 2.93Å; C97-C108 CovalentContact SG-SG 2.06Å; C97-C108 PolarHBondContact SG-SG 3.23Å; C108-T118 WeakPolarHBondContact CA-O 3.28Å
109D95.9Very high94.5Very high94 Ų9457.2 Ų57.250%0.50332%0.317SS..EExtended strand (participates in β ladder)trans-126.4146.6173.6-65.2-65000111W117 T118D109-W117 CarbonylContact O-C 3.56Å; D109-W117 WeakPolarHBondContact O-CA 3.34Å; D109-W117 WeakPolarHBondContact O-CB 3.38Å; D109-T118 PolarHBondContact N-O 2.87Å; D109-T118 PolarHBondContact O-N 3.42Å; D109-T118 PolarHBondContact O-OG1 3.44Å
110L95.5Very high94.6Very high78 Ų7859.1 Ų59.141%0.40833%0.329SS..EExtended strand (participates in β ladder)trans-82.3143.1174.8-57.8177.2000110.3W96 C97W96-L110 HydrophobicContact CB-CD2 3.64Å; W96-L110 HydrophobicContact CG-CD2 4.09Å; C97-L110 HydrophobicContact CB-CD2 4.41Å
111L95.5Very high94.4Very high35 Ų3558 Ų5818%0.18332%0.319CS..  trans-62.9147.9168.6-90.969.1000109.9N113 K114 G116 W117 T118 T128L111-N113 WeakPolarHBondContact CB-OD1 3.26Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.15Å; L111-K114 WeakPolarHBondContact O-CA 3.34Å; L111-K114 PolarHBondContact O-N 3Å; L111-G116 PolarHBondContact N-O 2.92Å; L111-W117 WeakPolarHBondContact CD1-O 3.25Å; L111-T118 HydrophobicContact CD1-CG2 3.83Å; L111-T128 HydrophobicContact CD1-CG2 4.09Å; L111-T128 HydrophobicContact CD2-CG2 4.26Å
112V93.3Very high94.1Very high157 Ų15763.6 Ų63.695%0.95236%0.355SS*.THydrogen-bonded Turntrans-54.1-38.5-178.7-178.80000112.5K114V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.4Å
113N94.3Very high93.6Very high101 Ų10167.1 Ų67.154%0.5439%0.392SS..THydrogen-bonded Turntrans-83.93.1178.367.3-5.9000113.8L111 S115L111-N113 WeakPolarHBondContact CB-OD1 3.26Å; L111-N113 PolarHBondContact O-N 2.88Å; L111-N113 VanDerWaalsContact O-N 3.15Å; N113-S115 VanDerWaalsContact CG-OG 3.22Å; N113-S115 WeakPolarHBondContact ND2-CB 3.27Å; N113-S115 PolarHBondContact ND2-OG 3.49Å; N113-S115 PolarHBondContact O-N 3.32Å; N113-S115 VanDerWaalsContact O-N 3.13Å; N113-S115 VanDerWaalsContact OD1-CB 3.31Å; N113-S115 WeakPolarHBondContact OD1-CB 3.39Å; N113-S115 PolarHBondContact OD1-N 2.98Å; N113-S115 PolarHBondContact OD1-OG 3.38Å
114K91.9Very high93.2Very high119 Ų11966.2 Ų66.252%0.51740%0.402SS..SBendtrans55.322.1-172.9-53.6-179.6179.8-179.10113.9R94 W96 L111 V112 G116R94-K114 HydrophobicContact CB-CB 4.13Å; W96-K114 PolarHBondContact NE1-O 2.8Å; L111-K114 WeakPolarHBondContact O-CA 3.34Å; L111-K114 PolarHBondContact O-N 3Å; V112-K114 VanDerWaalsContact C-N 3.27Å; V112-K114 PolarHBondContact O-N 3.4Å; K114-G116 PolarHBondContact O-N 2.93Å
115S94.1Very high93.1Very high30 Ų3067.1 Ų67.121%0.2140%0.399CS..SBendtrans-83.22.2177.876.60000113N113 T130 A131N113-S115 VanDerWaalsContact CG-OG 3.22Å; N113-S115 WeakPolarHBondContact ND2-CB 3.27Å; N113-S115 PolarHBondContact ND2-OG 3.49Å; N113-S115 PolarHBondContact O-N 3.32Å; N113-S115 VanDerWaalsContact O-N 3.13Å; N113-S115 VanDerWaalsContact OD1-CB 3.31Å; N113-S115 WeakPolarHBondContact OD1-CB 3.39Å; N113-S115 PolarHBondContact OD1-N 2.98Å; N113-S115 PolarHBondContact OD1-OG 3.38Å; S115-T130 WeakPolarHBondContact O-CG2 3.33Å; S115-A131 PolarHBondContact O-N 2.95Å
116G94.6Very high93.2Very high0 Ų064.4 Ų64.40%039%0.387CS..EExtended strand (participates in β ladder)trans170.2-159.1-178.400000112.6W96 L111 K114 T129W96-G116 VanDerWaalsContact CD1-C 3.49Å; L111-G116 PolarHBondContact N-O 2.92Å; K114-G116 PolarHBondContact O-N 2.93Å; G116-T129 CarbonylContact C-O 3.41Å; G116-T129 VanDerWaalsContact CA-O 3.27Å; G116-T129 WeakPolarHBondContact CA-O 3.47Å
117W95.6Very high93Very high17 Ų1767 Ų676%0.06440%0.399CS..EExtended strand (participates in β ladder)trans-138.6165.7-179.264.298000112.3T78 W96 M99 P101 D109 L111 T129T78-W117 HydrophobicContact CG2-CH2 4.29Å; T78-W117 HydrophobicContact CG2-CZ2 4.15Å; T78-W117 WeakPolarHBondContact OG1-CH2 3.49Å; T78-W117 WeakPolarHBondContact OG1-CZ2 3.43Å; W96-W117 HydrophobicContact CB-CB 4.02Å; W96-W117 HydrophobicContact CB-CD2 4.18Å; W96-W117 HydrophobicContact CB-CE3 3.65Å; W96-W117 HydrophobicContact CB-CG 4.36Å; W96-W117 HydrophobicContact CB-CZ3 4.47Å; W96-W117 HydrophobicContact CD2-CE3 4.11Å; W96-W117 HydrophobicContact CD2-CZ3 4.28Å; W96-W117 HydrophobicContact CE3-CE3 4.32Å; W96-W117 HydrophobicContact CE3-CZ3 4.07Å; W96-W117 AromaticContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CE3 3.84Å; W96-W117 HydrophobicContact CG-CZ3 4.47Å; M99-W117 HydrophobicContact CE-CD2 4.09Å; M99-W117 HydrophobicContact CE-CE3 3.68Å; M99-W117 HydrophobicContact CE-CH2 3.66Å; M99-W117 HydrophobicContact CE-CZ2 4.06Å; M99-W117 HydrophobicContact CE-CZ3 3.47Å; M99-W117 VanDerWaalsContact CE-CZ3 3.47Å; P101-W117 HydrophobicContact CB-CD2 4.37Å; P101-W117 HydrophobicContact CB-CG 4.49Å; P101-W117 HydrophobicContact CB-CZ2 4.07Å; P101-W117 HydrophobicContact CG-CD2 4.25Å; P101-W117 HydrophobicContact CG-CG 3.95Å; D109-W117 CarbonylContact O-C 3.56Å; D109-W117 WeakPolarHBondContact O-CA 3.34Å; D109-W117 WeakPolarHBondContact O-CB 3.38Å; L111-W117 WeakPolarHBondContact CD1-O 3.25Å; W117-T129 HydrophobicContact CD2-CG2 4.42Å; W117-T129 VanDerWaalsContact CE2-CB 3.48Å; W117-T129 HydrophobicContact CH2-CG2 3.42Å; W117-T129 VanDerWaalsContact CH2-CG2 3.42Å; W117-T129 HydrophobicContact CZ2-CG2 3.26Å; W117-T129 HydrophobicContact CZ3-CG2 4.05Å; W117-T129 PolarHBondContact N-O 2.92Å; W117-T129 PolarHBondContact O-N 2.76Å; W117-T129 VanDerWaalsContact O-O 3.1Å
118T95.8Very high92.9Very high25 Ų2569.1 Ų69.115%0.15340%0.404CS..EExtended strand (participates in β ladder)trans-121140.2169.348.70000110.4C108 D109 L111 V126 K127 T128C108-T118 WeakPolarHBondContact CA-O 3.28Å; D109-T118 PolarHBondContact N-O 2.87Å; D109-T118 PolarHBondContact O-N 3.42Å; D109-T118 PolarHBondContact O-OG1 3.44Å; L111-T118 HydrophobicContact CD1-CG2 3.83Å; T118-V126 HydrophobicContact CG2-CG1 3.93Å; T118-K127 CarbonylContact C-O 3.47Å; T118-K127 WeakPolarHBondContact CA-O 3.41Å; T118-T128 HydrophobicContact CG2-CG2 4.11Å
119C95.8Very high92.7Very high7 Ų770 Ų705%0.04741%0.408CS..EExtended strand (participates in β ladder)trans-107.9116.6168.2-59.50000108.9C102 E106 G107 K127C102-C119 WeakPolarHBondContact CA-SG 3.09Å; C102-C119 HydrophobicContact CB-CB 3.75Å; C102-C119 WeakPolarHBondContact CB-SG 3.47Å; C102-C119 WeakPolarHBondContact SG-CA 3.48Å; C102-C119 WeakPolarHBondContact SG-CB 3.47Å; C102-C119 CovalentContact SG-SG 2.04Å; C102-C119 PolarHBondContact SG-SG 3.37Å; E106-C119 HydrophobicContact CB-CB 4.32Å; E106-C119 WeakPolarHBondContact OE2-CB 3.33Å; G107-C119 CarbonylContact O-C 3.58Å; G107-C119 VanDerWaalsContact O-CA 3.31Å; G107-C119 WeakPolarHBondContact O-CA 3.34Å; C119-K127 HydrophobicContact CB-CB 4.31Å; C119-K127 PolarHBondContact N-O 3.36Å; C119-K127 PolarHBondContact O-N 3.03Å
120T94.9Very high92.5Very high49 Ų4969.2 Ų69.230%0.30141%0.407SS..EExtended strand (participates in β ladder)trans-100.5116.8-176.8-52.70000109.1E106 G107 V126E106-T120 WeakPolarHBondContact CA-O 3.23Å; G107-T120 PolarHBondContact N-O 3.42Å; G107-T120 PolarHBondContact O-N 2.86Å; T120-V126 HydrophobicContact CG2-CG2 4.33Å
121Q93.3Very high91.9Very high54 Ų5467.1 Ų67.125%0.25240%0.401SS..  trans-80.2150.1175.7-68.1-172.1-28.900110.9E106 G123 G124 R125E106-Q121 HydrophobicContact CG-CG 3.84Å; E106-Q121 WeakPolarHBondContact OE1-CG 3.3Å; E106-Q121 PolarHBondContact OE1-NE2 3.37Å; Q121-G123 PolarHBondContact O-N 2.87Å; Q121-G124 PolarHBondContact O-N 2.68Å; Q121-R125 HydrophobicContact CB-CB 4.25Å; Q121-R125 WeakPolarHBondContact CB-O 3.47Å; Q121-R125 PolarHBondContact N-O 3.38Å
122P88.3Confident90.7Very high119 Ų11976.7 Ų76.777%0.77345%0.451SS*.THydrogen-bonded Turntrans-59.3-21.2178.519.2-29.8000113.2D105 G124D105-P122 WeakPolarHBondContact O-CD 3.41Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 3.08Å
123G84.6Confident90.5Very high79 Ų7972.7 Ų72.781%0.81443%0.426SS*.THydrogen-bonded Turntrans-83.115.5172.100000115.6Q121 R125Q121-G123 PolarHBondContact O-N 2.87Å; G123-R125 PolarHBondContact O-N 2.71Å
124G86.1Confident90.4Very high60 Ų6071.2 Ų71.262%0.61942%0.42SS*.SBendtrans76.90.4178.200000115.3Q121 P122 V126Q121-G124 PolarHBondContact O-N 2.68Å; P122-G124 VanDerWaalsContact C-N 3.28Å; P122-G124 PolarHBondContact O-N 3.08Å; G124-V126 PolarHBondContact O-N 3.11Å
125R88.7Confident90.3Very high152 Ų15268.5 Ų68.557%0.57441%0.414SS*.  trans-77.5124176.5-171.3179.4-173174.15.5110.1Q121 G123Q121-R125 HydrophobicContact CB-CB 4.25Å; Q121-R125 WeakPolarHBondContact CB-O 3.47Å; Q121-R125 PolarHBondContact N-O 3.38Å; G123-R125 PolarHBondContact O-N 2.71Å
126V92.4Very high90Very high80 Ų8070.8 Ų70.849%0.48543%0.426SS..EExtended strand (participates in β ladder)trans-104.2128.3178.1-172.10000110.2T118 T120 G124T118-V126 HydrophobicContact CG2-CG1 3.93Å; T120-V126 HydrophobicContact CG2-CG2 4.33Å; G124-V126 PolarHBondContact O-N 3.11Å
127K92Very high89.8Confident76 Ų7675.2 Ų75.233%0.3345%0.453SS..EExtended strand (participates in β ladder)trans-103.1120.5169.9-64171.7-174.91620108.4E106 T118 C119E106-K127 IonicContact OE1-NZ 2.76Å; E106-K127 PolarHBondContact OE1-NZ 2.92Å; E106-K127 IonicContact OE2-NZ 3.22Å; T118-K127 CarbonylContact C-O 3.47Å; T118-K127 WeakPolarHBondContact CA-O 3.41Å; C119-K127 HydrophobicContact CB-CB 4.31Å; C119-K127 PolarHBondContact N-O 3.36Å; C119-K127 PolarHBondContact O-N 3.03Å
128T92Very high89.4Confident81 Ų8179.1 Ų79.150%0.49748%0.479SS..EExtended strand (participates in β ladder)trans-102.5129.1177.5-52.60000110.2L111 T118L111-T128 HydrophobicContact CD1-CG2 4.09Å; L111-T128 HydrophobicContact CD2-CG2 4.26Å; T118-T128 HydrophobicContact CG2-CG2 4.11Å
129T91.9Very high88.9Confident56 Ų5682.9 Ų82.934%0.34450%0.502SS..EExtended strand (participates in β ladder)trans-122.9127.7173.9-54.50000109.7G116 W117G116-T129 CarbonylContact C-O 3.41Å; G116-T129 VanDerWaalsContact CA-O 3.27Å; G116-T129 WeakPolarHBondContact CA-O 3.47Å; W117-T129 HydrophobicContact CD2-CG2 4.42Å; W117-T129 VanDerWaalsContact CE2-CB 3.48Å; W117-T129 HydrophobicContact CH2-CG2 3.42Å; W117-T129 VanDerWaalsContact CH2-CG2 3.42Å; W117-T129 HydrophobicContact CZ2-CG2 3.26Å; W117-T129 HydrophobicContact CZ3-CG2 4.05Å; W117-T129 PolarHBondContact N-O 2.92Å; W117-T129 PolarHBondContact O-N 2.76Å; W117-T129 VanDerWaalsContact O-O 3.1Å
130T91.5Very high88.4Confident79 Ų7988.8 Ų88.849%0.48554%0.537SS..EExtended strand (participates in β ladder)trans-109.9130.7178-44.50000108.5S115S115-T130 WeakPolarHBondContact O-CG2 3.33Å
131A83.9Confident87.8Confident33 Ų3392.1 Ų92.127%0.27356%0.557SS.*  trans-82.5127.5166.100000108.3W96 S115W96-A131 HydrophobicContact CH2-CB 3.45Å; W96-A131 VanDerWaalsContact CH2-CB 3.45Å; W96-A131 HydrophobicContact CZ2-CB 3.75Å; W96-A131 HydrophobicContact CZ3-CB 3.96Å; S115-A131 PolarHBondContact O-N 2.95Å
132L69.3Low87.3Confident236 Ų23695.5 Ų95.5100%1.23658%0.584SS**  trans-84.40175-68.2172.1000110.8

Retrieved 132 of 132 residues in 101.2 ms (Link to these results)