A0A093HHX9_STRCA Loading...

Zinc finger protein Pegasus

AlphaFold DB , UniProt , Accession A0A093HHX9, Species STRCA (Struthio camelus australis), Gene n/a, Length 419 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
1M38.8Very low46.6Very low240 Ų240157.3 Ų157.3100%1.18282%0.819SS**  0126.70-69.5-61.9-122.700106.9
2G38.7Very low47.4Very low79 Ų79152.9 Ų152.981%0.81480%0.803SS**  trans-76145.1-168.500000113.9K4G2-K4 PolarHBondContact O-N 3.05Å
3E43.8Very low47.9Very low197 Ų197151.7 Ų151.792%0.92179%0.787SS**  trans-70.9120.6172.2-60.7178.9135.900109.6K5E3-K5 PolarHBondContact O-N 3.25Å
4K42.3Very low49Very low207 Ų207146.6 Ų146.690%0.976%0.762SS**  trans-78103.1172.5-79.4-167.5173.1-170.70109.6G2G2-K4 PolarHBondContact O-N 3.05Å
5K40.6Very low49.1Very low190 Ų190143.8 Ų143.883%0.82674%0.742SS**PPolyproline II helixtrans-54.1134.7164.7-168.6177.8-176.2-178.90109.1E3E3-K5 PolarHBondContact O-N 3.25Å
6P44.1Very low49.2Very low117 Ų117142.3 Ų142.376%0.7673%0.73SS**PPolyproline II helixtrans-64.5141.1175.927.1-34.2000110.4
7E55.6Low49.6Very low179 Ų179140.1 Ų140.184%0.83672%0.716SS**PPolyproline II helixtrans-70.4149.7173.4-71.1-165.9134.800111.1L9E7-L9 PolarHBondContact O-N 3.24Å
8P47.4Very low50.5Low125 Ų125139.4 Ų139.481%0.81270%0.704SS**PPolyproline II helixtrans-68.2128.4171.929.5-33.3000109.9D10P8-D10 PolarHBondContact O-N 3.14Å
9L53.1Low50.5Low150 Ų150135.7 Ų135.779%0.78569%0.686SS**  trans-65.3113.1171.3-70.2169.7000109.3E7 F11E7-L9 PolarHBondContact O-N 3.24Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.27Å
10D58.2Low50.9Low92 Ų92132.8 Ų132.849%0.49268%0.676SS.*  trans-77.286.1173.7-175.6-1.4000109.6P8 V12 K13 D14P8-D10 PolarHBondContact O-N 3.14Å; D10-V12 PolarHBondContact O-N 3.3Å; D10-V12 PolarHBondContact OD1-N 3.41Å; D10-K13 HydrophobicContact CB-CB 4.14Å; D10-K13 WeakPolarHBondContact O-CB 3.37Å; D10-K13 PolarHBondContact O-N 3Å; D10-D14 PolarHBondContact O-N 3.2Å; D10-D14 VanDerWaalsContact O-N 3.09Å
11F49.7Very low51.3Low154 Ų154132.5 Ų132.568%0.67567%0.672SS**Hα-helixtrans-51.3-30.3-179.5-179.8-96.4000113.4L9 F15L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.27Å; F11-F15 WeakPolarHBondContact O-CB 3.35Å; F11-F15 PolarHBondContact O-N 3.41Å
12V56.2Low51.9Low105 Ų105125.2 Ų125.264%0.63664%0.635SS**Hα-helixtrans-69.2-42178.6-176.40000110.3D10 Q16D10-V12 PolarHBondContact O-N 3.3Å; D10-V12 PolarHBondContact OD1-N 3.41Å; V12-Q16 WeakPolarHBondContact O-CB 3.12Å; V12-Q16 PolarHBondContact O-N 2.78Å
13K54.8Low52.3Low137 Ų137125.1 Ų125.160%0.59662%0.619SS**Hα-helixtrans-69-48178.8-169.5-176176.8-168.30111.8D10 F15 Q16 E17D10-K13 HydrophobicContact CB-CB 4.14Å; D10-K13 WeakPolarHBondContact O-CB 3.37Å; D10-K13 PolarHBondContact O-N 3Å; K13-F15 VanDerWaalsContact C-N 3.28Å; K13-F15 PolarHBondContact O-N 3.34Å; K13-Q16 PolarHBondContact O-N 3.44Å; K13-E17 PolarHBondContact O-N 3.21Å
14D62.2Low52.4Low81 Ų81121.8 Ų121.843%0.43360%0.602SS.*Hα-helixtrans-60.4-38.8177.8-69-11000111.4D10 Y18D10-D14 PolarHBondContact O-N 3.2Å; D10-D14 VanDerWaalsContact O-N 3.09Å; D14-Y18 WeakPolarHBondContact O-CB 3.43Å; D14-Y18 PolarHBondContact O-N 3.22Å
15F51.3Low52.6Low104 Ų104117.7 Ų117.746%0.45659%0.587SS.*Hα-helixtrans-71.8-37.6177.2-169.2-106.7000112.5F11 K13 E17 Y18 L19F11-F15 WeakPolarHBondContact O-CB 3.35Å; F11-F15 PolarHBondContact O-N 3.41Å; K13-F15 VanDerWaalsContact C-N 3.28Å; K13-F15 PolarHBondContact O-N 3.34Å; F15-E17 VanDerWaalsContact C-N 3.35Å; F15-Y18 PolarHBondContact O-N 3.06Å; F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.44Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CG 4.23Å; F15-L19 HydrophobicContact CZ-CD1 4.29Å; F15-L19 WeakPolarHBondContact O-CG 3.49Å; F15-L19 PolarHBondContact O-N 3.16Å
16Q50Low52.6Low119 Ų119112.2 Ų112.256%0.55657%0.569SS**Hα-helixtrans-62.9-42.2173.8-16670.320.900111.3V12 K13 L19 T20V12-Q16 WeakPolarHBondContact O-CB 3.12Å; V12-Q16 PolarHBondContact O-N 2.78Å; K13-Q16 PolarHBondContact O-N 3.44Å; Q16-L19 PolarHBondContact O-N 2.97Å; Q16-T20 PolarHBondContact O-N 3.04Å
17E57.5Low52.5Low106 Ų106112 Ų11250%0.49556%0.561SS.*Hα-helixtrans-68.9-37.2177.7-167.8164.8-179.900112.2K13 F15 L19 T20 Q21K13-E17 PolarHBondContact O-N 3.21Å; F15-E17 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 3.04Å; E17-T20 PolarHBondContact O-N 3.18Å; E17-T20 PolarHBondContact O-OG1 2.85Å; E17-Q21 WeakPolarHBondContact O-CG 3.47Å; E17-Q21 PolarHBondContact O-N 2.95Å
18Y65.2Low52Low127 Ų127110.1 Ų110.150%0.49855%0.554SS.*Hα-helixtrans-60.1-42.6170.1177.8-99.5000112.6D14 F15 Q21 Q22D14-Y18 WeakPolarHBondContact O-CB 3.43Å; D14-Y18 PolarHBondContact O-N 3.22Å; F15-Y18 PolarHBondContact O-N 3.06Å; Y18-Q21 PolarHBondContact O-N 2.99Å; Y18-Q22 HydrophobicContact CD1-CG 4.34Å; Y18-Q22 HydrophobicContact CE1-CG 3.98Å; Y18-Q22 WeakPolarHBondContact O-CG 3.45Å; Y18-Q22 PolarHBondContact O-N 3.36Å; Y18-Q22 PolarHBondContact OH-NE2 2.99Å
19L50.4Low51.9Low70 Ų70110 Ų11037%0.36655%0.546SS..Hα-helixtrans-69.1-34.4178-71.8177.2000112.9F15 Q16 E17 T23F15-L19 HydrophobicContact CD1-CD1 3.92Å; F15-L19 HydrophobicContact CD1-CG 4.44Å; F15-L19 HydrophobicContact CE1-CD1 3.63Å; F15-L19 HydrophobicContact CE1-CG 4.23Å; F15-L19 HydrophobicContact CZ-CD1 4.29Å; F15-L19 WeakPolarHBondContact O-CG 3.49Å; F15-L19 PolarHBondContact O-N 3.16Å; Q16-L19 PolarHBondContact O-N 2.97Å; E17-L19 PolarHBondContact O-N 3.04Å; L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 2.97Å
20T57.8Low51.1Low77 Ų77106.6 Ų106.647%0.47253%0.534SS..Hα-helixtrans-69.4-38173.655.70000111.7Q16 E17 T23 H24Q16-T20 PolarHBondContact O-N 3.04Å; E17-T20 PolarHBondContact O-N 3.18Å; E17-T20 PolarHBondContact O-OG1 2.85Å; T20-T23 PolarHBondContact O-N 3.46Å; T20-H24 WeakPolarHBondContact O-CB 3.41Å; T20-H24 PolarHBondContact O-N 3.48Å
21Q60.3Low49.9Very low126 Ų126105.9 Ų105.959%0.58955%0.549SS*.Hα-helixtrans-64.8-42.2173.9-69.7-179.620.800112.6E17 Y18 H24 H25E17-Q21 WeakPolarHBondContact O-CG 3.47Å; E17-Q21 PolarHBondContact O-N 2.95Å; Y18-Q21 PolarHBondContact O-N 2.99Å; Q21-H24 PolarHBondContact O-N 2.9Å; Q21-H25 WeakPolarHBondContact O-CB 3.4Å; Q21-H25 PolarHBondContact O-N 2.96Å; Q21-H25 VanDerWaalsContact O-N 3.07Å
22Q51.3Low49Very low88 Ų88103.8 Ų103.841%0.41155%0.553SS.*Hα-helixtrans-56.9-48170.6-77.9-95.8900111.5Y18 H24 H25 V26Y18-Q22 HydrophobicContact CD1-CG 4.34Å; Y18-Q22 HydrophobicContact CE1-CG 3.98Å; Y18-Q22 WeakPolarHBondContact O-CG 3.45Å; Y18-Q22 PolarHBondContact O-N 3.36Å; Y18-Q22 PolarHBondContact OH-NE2 2.99Å; Q22-H24 PolarHBondContact O-N 2.87Å; Q22-H25 PolarHBondContact O-N 3.18Å; Q22-V26 WeakPolarHBondContact O-CG2 3.4Å; Q22-V26 PolarHBondContact O-N 3.17Å
23T47.4Very low48Very low77 Ų77105.9 Ų105.947%0.47257%0.566SS.*Hα-helixtrans-64.5-42.1-178.4-55.30000111.9L19 T20 H25 V26 N27L19-T23 WeakPolarHBondContact O-CB 3.39Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 2.97Å; T20-T23 PolarHBondContact O-N 3.46Å; T23-H25 VanDerWaalsContact C-N 3.34Å; T23-H25 PolarHBondContact O-N 3.45Å; T23-V26 PolarHBondContact O-N 2.74Å; T23-N27 PolarHBondContact O-N 3.29Å
24H44.8Very low46.8Very low126 Ų126105 Ų10558%0.58358%0.577SS**Hα-helixtrans-60.5-43.3175-171.2-85.9000111.6T20 Q21 Q22 V26 N27 M28T20-H24 WeakPolarHBondContact O-CB 3.41Å; T20-H24 PolarHBondContact O-N 3.48Å; Q21-H24 PolarHBondContact O-N 2.9Å; Q22-H24 PolarHBondContact O-N 2.87Å; H24-V26 PolarHBondContact O-N 3.14Å; H24-N27 PolarHBondContact O-N 3.38Å; H24-M28 VanDerWaalsContact O-CG 3.27Å; H24-M28 WeakPolarHBondContact O-CG 3.47Å; H24-M28 PolarHBondContact O-N 3.04Å
25H46.5Very low45.4Very low122 Ų122104.3 Ų104.357%0.56559%0.589SS**Hα-helixtrans-64.9-36.3177.5-171-102000112.8Q21 Q22 T23 I29Q21-H25 WeakPolarHBondContact O-CB 3.4Å; Q21-H25 PolarHBondContact O-N 2.96Å; Q21-H25 VanDerWaalsContact O-N 3.07Å; Q22-H25 PolarHBondContact O-N 3.18Å; T23-H25 VanDerWaalsContact C-N 3.34Å; T23-H25 PolarHBondContact O-N 3.45Å; H25-I29 WeakPolarHBondContact O-CD1 3.43Å; H25-I29 WeakPolarHBondContact O-CG1 3.44Å; H25-I29 PolarHBondContact O-N 3.07Å
26V41.3Very low44.4Very low74 Ų74106.1 Ų106.145%0.44860%0.603SS.*Hα-helixtrans-67.6-45174.2171.90000111.4Q22 T23 H24 M28 I29 S30Q22-V26 WeakPolarHBondContact O-CG2 3.4Å; Q22-V26 PolarHBondContact O-N 3.17Å; T23-V26 PolarHBondContact O-N 2.74Å; H24-V26 PolarHBondContact O-N 3.14Å; V26-M28 VanDerWaalsContact C-N 3.32Å; V26-M28 PolarHBondContact O-N 3.18Å; V26-I29 PolarHBondContact O-N 3.48Å; V26-S30 PolarHBondContact O-N 3.31Å; V26-S30 VanDerWaalsContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 3.01Å
27N42.1Very low43.7Very low112 Ų112108.7 Ų108.760%0.59961%0.612SS**Hα-helixtrans-62.1-39178.7-71.5-7.1000112.2T23 H24 I29 S30T23-N27 PolarHBondContact O-N 3.29Å; H24-N27 PolarHBondContact O-N 3.38Å; N27-I29 PolarHBondContact O-N 2.93Å; N27-S30 PolarHBondContact O-N 3.38Å
28M44.8Very low42.1Very low140 Ų140113.2 Ų113.269%0.6963%0.634SS**Hα-helixtrans-65.1-17.7174.2-69.4-68.8-73.300113.9H24 V26H24-M28 VanDerWaalsContact O-CG 3.27Å; H24-M28 WeakPolarHBondContact O-CG 3.47Å; H24-M28 PolarHBondContact O-N 3.04Å; V26-M28 VanDerWaalsContact C-N 3.32Å; V26-M28 PolarHBondContact O-N 3.18Å
29I45.3Very low40.4Very low124 Ų124111.5 Ų111.564%0.63665%0.646SS**Hα-helixtrans-95.6-24.5177.5-69.8168.8000111.7H25 V26 N27 G31H25-I29 WeakPolarHBondContact O-CD1 3.43Å; H25-I29 WeakPolarHBondContact O-CG1 3.44Å; H25-I29 PolarHBondContact O-N 3.07Å; V26-I29 PolarHBondContact O-N 3.48Å; N27-I29 PolarHBondContact O-N 2.93Å; I29-G31 PolarHBondContact O-N 3.41Å
30S36.9Very low39.4Very low77 Ų77117.6 Ų117.654%0.53867%0.672SS.*  trans-90.716.3-172.6-63.10000115.3V26 N27 S32V26-S30 PolarHBondContact O-N 3.31Å; V26-S30 VanDerWaalsContact O-N 3.08Å; V26-S30 PolarHBondContact O-OG 3.01Å; N27-S30 PolarHBondContact O-N 3.38Å; S30-S32 VanDerWaalsContact C-N 3.3Å; S30-S32 PolarHBondContact O-N 3.41Å
31G31.9Very low37.9Very low78 Ų78120 Ų12080%0.80469%0.687SS**  trans-6676.3179.300000114.4I29I29-G31 PolarHBondContact O-N 3.41Å
32S31.2Very low36.4Very low110 Ų110121.1 Ų121.177%0.76970%0.696SS**  trans-104.8138.9170.4-62.70000110.3S30 S34S30-S32 VanDerWaalsContact C-N 3.3Å; S30-S32 PolarHBondContact O-N 3.41Å; S32-S34 PolarHBondContact O-N 2.97Å
33V35.4Very low35.3Very low148 Ų148125.1 Ų125.190%0.89772%0.715SS**  trans-64.3123.9-173.6175.10000112.2
34S30.1Very low34.3Very low120 Ų120124.7 Ų124.784%0.83973%0.725SS**  trans-120.8100.8156.557.90000108.2S32S32-S34 PolarHBondContact O-N 2.97Å
35G32.7Very low33.4Very low66 Ų66124.2 Ų124.268%0.6874%0.743SS**  trans-99.1140.9173.300000110.7
36D29.1Very low32.4Very low142 Ų142121.3 Ų121.376%0.75975%0.747SS**  trans-135.9164.2161.2-119.3-46.4000110
37K35.4Very low31.7Very low172 Ų172123.7 Ų123.775%0.74876%0.761SS**  trans-86.5149.7-160.8-35.597.4-172.9145.40113.4
38E25.1Very low31Very low202 Ų202127.4 Ų127.494%0.94478%0.775SS**  trans-118.4155.1133.8-66.2-164121.100108.7
39A29.2Very low30.2Very low90 Ų90124.5 Ų124.574%0.74478%0.782SS**  trans-142118.2-171.300000111.2
40E27.8Very low29.6Very low199 Ų199126.6 Ų126.693%0.9379%0.794SS**  trans-119.1154.7162.2-70.9-156.5100.400110.2
41T28Very low29.6Very low128 Ų128132.2 Ų132.279%0.78581%0.812SS**  trans-133.3136.4-170.9-63.40000108.9
42L29Very low29.6Very low148 Ų148137.1 Ų137.178%0.77582%0.819SS**  trans172143.6139.7-91.4158.3000110.4
43Q27.7Very low29.4Very low173 Ų173135.2 Ų135.281%0.80882%0.817SS**  trans35.5140.3161.2-95.964.5-13.900121.5
44G25.9Very low29.6Very low67 Ų67136.6 Ų136.669%0.69182%0.819SS**  cis144.9131.8-3.600000113.1
45A25.7Very low29.5Very low116 Ų116138.3 Ų138.396%0.95982%0.819SS**  trans65.6151.5-176.600000116.2
46G25.7Very low29.3Very low62 Ų62143.5 Ų143.564%0.63983%0.825SS**  cis175.2165.5-8.700000113.8
47T27.3Very low29.3Very low123 Ų123142.2 Ų142.276%0.75582%0.824SS**  trans57.2104154.349.80000121.1
48E26.9Very low29.2Very low190 Ų190138.2 Ų138.289%0.88882%0.818SS**  trans39.1140.2132.370.6-155.88900124.3
49G28.4Very low29.4Very low80 Ų80134.1 Ų134.183%0.82581%0.806SS**  trans161110.5163.500000115.9
50D33.2Very low29.4Very low168 Ų168137.4 Ų137.490%0.89881%0.806SS**  trans-74.6132.1174.3-69.8-66000113.2
51Q35.5Very low29.5Very low195 Ų195132.4 Ų132.491%0.91179%0.789SS**  trans-146.1143.5156.5-68.9-166.170.600111.8
52N32.5Very low29.7Very low180 Ų180132 Ų13296%0.96379%0.791SS**  trans-83.6135.4175.4-73.2-84.7000110.8
53G27.7Very low30.1Very low70 Ų70131.4 Ų131.472%0.72279%0.788SS**  trans-147.8139.8174.200000112.1
54L39Very low30.2Very low178 Ų178128.9 Ų128.993%0.93278%0.781SS**  trans-93.4100.7174.7-78.9168.8000109.6
55D27.5Very low30.9Very low156 Ų156135.2 Ų135.283%0.83479%0.792SS**  trans-137.9136.9166.4-86.2-61.4000111.6
56H29.5Very low31.5Very low174 Ų174136.9 Ų136.981%0.80679%0.785SS**  trans-73.2133.1170.6-93.6-107.2000109.2S58H56-S58 PolarHBondContact O-N 2.96Å
57P29.4Very low32.3Very low115 Ų115138.9 Ų138.975%0.74779%0.789SS**  trans-69.785.815830-32000108.3V59P57-V59 PolarHBondContact O-N 3.09Å
58S32.1Very low33.3Very low89 Ų89136.6 Ų136.662%0.62279%0.79SS**  trans-60.893.6158-72.40000107.1H56 E60H56-S58 PolarHBondContact O-N 2.96Å; S58-E60 PolarHBondContact O-N 3.36Å
59V29.3Very low34.1Very low116 Ų116134.4 Ų134.470%0.70378%0.782SS**  trans-71.591.7169.4-171.80000106.3P57 V61P57-V59 PolarHBondContact O-N 3.09Å; V59-V61 HydrophobicContact CB-CG2 4.37Å; V59-V61 HydrophobicContact CG1-CG2 3.67Å; V59-V61 PolarHBondContact O-N 3.45Å
60E28.8Very low35Very low158 Ų158139 Ų13974%0.73879%0.786SS**  trans-61.279.3165.8-67.4-58.4140.100108.5S58 S62S58-E60 PolarHBondContact O-N 3.36Å; E60-S62 VanDerWaalsContact C-N 3.29Å; E60-S62 PolarHBondContact O-N 3.17Å
61V29.6Very low35.7Very low95 Ų95132.9 Ų132.958%0.57676%0.755SS**  trans-74.790.7170.4-171.50000106.6V59 L63V59-V61 HydrophobicContact CB-CG2 4.37Å; V59-V61 HydrophobicContact CG1-CG2 3.67Å; V59-V61 PolarHBondContact O-N 3.45Å; V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 HydrophobicContact CG1-CD2 3.71Å; V61-L63 HydrophobicContact CG1-CG 3.89Å; V61-L63 PolarHBondContact O-N 3.37Å
62S32.4Very low36.2Very low118 Ų118129.6 Ų129.683%0.82574%0.744SS**  trans-5995.1164.2-57.50000108.6E60E60-S62 VanDerWaalsContact C-N 3.29Å; E60-S62 PolarHBondContact O-N 3.17Å
63L38.7Very low37.3Very low136 Ų136123.3 Ų123.371%0.71272%0.721SS**  trans-85.4127.8168.1-67.3176.3000107.8V61 E65V61-L63 VanDerWaalsContact C-N 3.28Å; V61-L63 HydrophobicContact CG1-CD2 3.71Å; V61-L63 HydrophobicContact CG1-CG 3.89Å; V61-L63 PolarHBondContact O-N 3.37Å; L63-E65 PolarHBondContact O-N 3.24Å
64D29.8Very low39.2Very low121 Ų121122.9 Ų122.965%0.64770%0.7SS**  trans-62125177.552.1-62.3000111.2N66D64-N66 PolarHBondContact O-N 3.29Å
65E40.7Very low40.5Very low199 Ų199120.2 Ų120.293%0.9368%0.683SS**THydrogen-bonded Turntrans-69.56.6-172.4-62.5-170.69700114.6L63L63-E65 PolarHBondContact O-N 3.24Å
66N38.8Very low42.8Very low152 Ų152123 Ų12381%0.81368%0.681SS**THydrogen-bonded Turntrans-95.67-170.1-157.333000114.8D64D64-N66 PolarHBondContact O-N 3.29Å
67S41.8Very low45Very low104 Ų104116.3 Ų116.373%0.72765%0.653SS**SBendtrans-103.972.2172-72.70000111.3M69S67-M69 PolarHBondContact O-N 2.88Å
68G48Very low47.1Very low75 Ų75121.3 Ų121.377%0.77366%0.663SS**  trans-62.891.4-169.600000116.1
69M42.8Very low49.4Very low144 Ų144122 Ų12271%0.70966%0.66SS**  trans-154.980.1157.2-106.3-61.8154.900111.1S67 V71S67-M69 PolarHBondContact O-N 2.88Å; M69-V71 PolarHBondContact O-N 3.35Å
70L47.6Very low51.9Low175 Ų175119.1 Ų119.192%0.91665%0.653SS**  trans-70.187.1173-81.6165.2000111.1D72L70-D72 PolarHBondContact O-N 2.79Å
71V48.5Very low54.8Low41 Ų41115 Ų11525%0.24863%0.633CS.*  trans-94.582.5162-174.20000108.1M69 F74 I101M69-V71 PolarHBondContact O-N 3.35Å; V71-F74 HydrophobicContact CB-CZ 4.03Å; V71-F74 HydrophobicContact CG1-CE1 3.99Å; V71-F74 HydrophobicContact CG1-CZ 3.9Å; V71-F74 WeakPolarHBondContact O-CZ 3.45Å; V71-I101 HydrophobicContact CG1-CD1 4.29Å; V71-I101 HydrophobicContact CG1-CG2 4.39Å
72D45.3Very low57.6Low126 Ų126111.4 Ų111.467%0.67461%0.61SS**  trans-52.9145.8-170.9-168.49.1000113.8L70 R85L70-D72 PolarHBondContact O-N 2.79Å; D72-R85 PolarHBondContact O-NH1 3.42Å; D72-R85 PolarHBondContact O-NH2 3.08Å
73G56.9Low60.3Low48 Ų48109.9 Ų109.950%0.49559%0.589SS.*  trans60.691.1169.500000118
74F66.9Low62.6Low61 Ų61103.8 Ų103.827%0.26856%0.558SS.*  trans-105.2115.5163.4-60.6-42.5000112.1V71 R76 L82 L97 I101V71-F74 HydrophobicContact CB-CZ 4.03Å; V71-F74 HydrophobicContact CG1-CE1 3.99Å; V71-F74 HydrophobicContact CG1-CZ 3.9Å; V71-F74 WeakPolarHBondContact O-CZ 3.45Å; F74-R76 PolarHBondContact O-N 2.84Å; F74-L82 HydrophobicContact CB-CD2 4.25Å; F74-L97 HydrophobicContact CB-CD2 4.18Å; F74-L97 HydrophobicContact CD1-CD2 3.63Å; F74-L97 HydrophobicContact CD1-CG 4.42Å; F74-L97 HydrophobicContact CD2-CD2 4.16Å; F74-L97 HydrophobicContact CE1-CD2 4.06Å; F74-L97 HydrophobicContact CE1-CG 4.4Å; F74-L97 HydrophobicContact CG-CD2 3.71Å; F74-L97 HydrophobicContact CZ-CD2 4.48Å; F74-I101 HydrophobicContact CD1-CD1 4.35Å; F74-I101 HydrophobicContact CE1-CD1 3.28Å; F74-I101 HydrophobicContact CZ-CD1 3.54Å
75E66.8Low65.3Low122 Ų122104.1 Ų104.157%0.5755%0.55SS*.PPolyproline II helixtrans-63.1117.5172-70.4-175.2-177.600111K83E75-K83 HydrophobicContact CB-CB 4.26Å; E75-K83 HydrophobicContact CB-CD 3.95Å; E75-K83 PolarHBondContact O-N 2.69Å; E75-K83 WeakPolarHBondContact OE2-CD 3.42Å; E75-K83 IonicContact OE2-NZ 3.36Å; E75-K83 PolarHBondContact OE2-NZ 3.34Å
76R75.9Confident67.5Low214 Ų214100 Ų10081%0.80853%0.526SS*.BIsolated β-bridgetrans-75.5122.9159.7-75.8179.6177.3132.5-1.6108.8F74 L82F74-R76 PolarHBondContact O-N 2.84Å; R76-L82 HydrophobicContact CG-CD2 3.59Å
77T74.8Confident69.9Low33 Ų3395.2 Ų95.220%0.20250%0.504CS..PPolyproline II helixtrans-74.5160165.666.30000110.6D79 G80 K81 K83T77-D79 PolarHBondContact O-N 3.32Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-N 3.18Å; T77-G80 PolarHBondContact O-N 3.26Å; T77-K81 PolarHBondContact N-O 3Å; T77-K81 WeakPolarHBondContact OG1-CB 3.34Å; T77-K81 PolarHBondContact OG1-N 3.08Å; T77-K81 PolarHBondContact OG1-O 3.42Å; T77-K83 HydrophobicContact CG2-CD 3.75Å; T77-K83 HydrophobicContact CG2-CG 3.73Å
78F72.5Confident72.1Confident221 Ų22198.6 Ų98.697%0.96951%0.514SS*.THydrogen-bonded Turntrans-52.9-33.2170.6-166.2-101.7000112.6G80F78-G80 PolarHBondContact O-N 3.24Å; F78-G80 VanDerWaalsContact O-N 3.07Å
79D81.9Confident74Confident104 Ų10499 Ų9956%0.55649%0.493SS*.THydrogen-bonded Turntrans-68.23.2173.2-56.6-5.2000115.3T77 K81T77-D79 PolarHBondContact O-N 3.32Å; T77-D79 VanDerWaalsContact O-N 3.17Å; T77-D79 PolarHBondContact OG1-N 3.18Å; D79-K81 HydrophobicContact CB-CD 3.84Å; D79-K81 HydrophobicContact CB-CG 4.01Å; D79-K81 PolarHBondContact O-N 3.43Å; D79-K81 WeakPolarHBondContact OD2-CE 3.35Å; D79-K81 IonicContact OD2-NZ 3.14Å; D79-K81 PolarHBondContact OD2-NZ 3.38Å
80G81.6Confident76.2Confident54 Ų5494.1 Ų94.156%0.55748%0.476SS*.SBendtrans68.317-173.800000114.5T77 F78T77-G80 PolarHBondContact O-N 3.26Å; F78-G80 PolarHBondContact O-N 3.24Å; F78-G80 VanDerWaalsContact O-N 3.07Å
81K89Confident78.2Confident72 Ų7286.3 Ų86.331%0.31344%0.436SS..PPolyproline II helixtrans-92.7142.8176.8-54.7160.5-172.7161.10109.2T77 D79 A90 S91 K92T77-K81 PolarHBondContact N-O 3Å; T77-K81 WeakPolarHBondContact OG1-CB 3.34Å; T77-K81 PolarHBondContact OG1-N 3.08Å; T77-K81 PolarHBondContact OG1-O 3.42Å; D79-K81 HydrophobicContact CB-CD 3.84Å; D79-K81 HydrophobicContact CB-CG 4.01Å; D79-K81 PolarHBondContact O-N 3.43Å; D79-K81 WeakPolarHBondContact OD2-CE 3.35Å; D79-K81 IonicContact OD2-NZ 3.14Å; D79-K81 PolarHBondContact OD2-NZ 3.38Å; K81-A90 HydrophobicContact CB-CB 4.21Å; K81-S91 CarbonylContact C-O 3.55Å; K81-S91 WeakPolarHBondContact CA-O 3.42Å; K81-K92 HydrophobicContact CG-CG 4.36Å
82L88.9Confident80.1Confident19 Ų1993.1 Ų93.110%0.09946%0.462CS..EExtended strand (participates in β ladder)trans-88.8125.1170.3-59.4167000109.1F74 R76 A90 S91 T94 L97F74-L82 HydrophobicContact CB-CD2 4.25Å; R76-L82 HydrophobicContact CG-CD2 3.59Å; L82-A90 CarbonylContact O-C 3.59Å; L82-A90 VanDerWaalsContact O-CA 3.25Å; L82-A90 WeakPolarHBondContact O-CA 3.48Å; L82-S91 PolarHBondContact N-O 3.02Å; L82-S91 PolarHBondContact O-N 3.47Å; L82-T94 HydrophobicContact CD1-CG2 3.64Å; L82-L97 HydrophobicContact CB-CD2 3.53Å
83K89.1Confident82.1Confident86 Ų8688.6 Ų88.637%0.37445%0.445SS..EExtended strand (participates in β ladder)trans-84.9153.4173.9-80162.1159.1-179.80112.1E75 T77 A90 L97E75-K83 HydrophobicContact CB-CB 4.26Å; E75-K83 HydrophobicContact CB-CD 3.95Å; E75-K83 PolarHBondContact O-N 2.69Å; E75-K83 WeakPolarHBondContact OE2-CD 3.42Å; E75-K83 IonicContact OE2-NZ 3.36Å; E75-K83 PolarHBondContact OE2-NZ 3.34Å; T77-K83 HydrophobicContact CG2-CD 3.75Å; T77-K83 HydrophobicContact CG2-CG 3.73Å; K83-A90 HydrophobicContact CG-CB 4.26Å; K83-L97 VanDerWaalsContact O-CD2 3.28Å; K83-L97 WeakPolarHBondContact O-CD2 3.46Å
84C87.7Confident83.5Confident9 Ų990.3 Ų90.36%0.06145%0.446CS..PPolyproline II helixtrans-80.8135.9162.6-172.80000110.9Y86 Y89 L97 H100C84-Y86 VanDerWaalsContact C-N 3.27Å; C84-Y86 PolarHBondContact O-N 2.71Å; C84-Y86 PolarHBondContact SG-N 3.15Å; C84-Y86 VanDerWaalsContact SG-N 3.42Å; C84-Y89 PolarHBondContact N-O 3.37Å; C84-L97 HydrophobicContact CB-CD1 3.77Å; C84-H100 PolarHBondContact SG-CD2 2.95Å; C84-H100 PolarHBondContact SG-NE2 3.49Å; C84-H100 VanDerWaalsContact SG-NE2 3.35Å
85R86Confident84.4Confident127 Ų12790.8 Ų90.848%0.47946%0.462SS..SBendtrans-60.1-36.1170.7156.1166.651.8-125-7.3112.5D72D72-R85 PolarHBondContact O-NH1 3.42Å; D72-R85 PolarHBondContact O-NH2 3.08Å
86Y86.3Confident85.3Confident112 Ų11293 Ų9344%0.43947%0.465SS..SBendtrans-91-14.2-167.7-52-76.6000114.3C84 I101 H104C84-Y86 VanDerWaalsContact C-N 3.27Å; C84-Y86 PolarHBondContact O-N 2.71Å; C84-Y86 PolarHBondContact SG-N 3.15Å; C84-Y86 VanDerWaalsContact SG-N 3.42Å; Y86-I101 HydrophobicContact CE2-CG2 4.35Å; Y86-H104 WeakPolarHBondContact CB-ND1 3.46Å; Y86-H104 HydrophobicContact CD2-CB 3.99Å; Y86-H104 HydrophobicContact CG-CB 4.03Å; Y86-H104 AromaticContact CG-CG 3.95Å
87C88.8Confident85.9Confident52 Ų5282.9 Ų82.935%0.35143%0.426SS..SBendtrans-164.9170.2174.371.30000112.5Y89 H100C87-Y89 PolarHBondContact O-N 3.05Å; C87-H100 VanDerWaalsContact SG-CE1 3.57Å; C87-H100 PolarHBondContact SG-NE2 3.19Å; C87-H100 VanDerWaalsContact SG-NE2 3.36Å
88N88.1Confident86.5Confident176 Ų17684.8 Ų84.894%0.94144%0.435SS*.SBendtrans-65.818.3-179.9-64.8-30.7000115.8
89Y88.4Confident87.2Confident82 Ų8276.7 Ų76.732%0.32240%0.4SS..  trans-73.6135.4170.9-178.4-97.8000110.6C84 C87 L97 H100C84-Y89 PolarHBondContact N-O 3.37Å; C87-Y89 PolarHBondContact O-N 3.05Å; Y89-L97 HydrophobicContact CD1-CD1 4.16Å; Y89-L97 HydrophobicContact CE1-CD1 4.44Å; Y89-H100 VanDerWaalsContact CB-CE1 3.47Å; Y89-H100 WeakPolarHBondContact CB-CE1 3.47Å; Y89-H100 HydrophobicContact CD1-CB 3.83Å; Y89-H100 AromaticContact CD1-CD2 3.49Å; Y89-H100 VanDerWaalsContact CD1-CD2 3.49Å; Y89-H100 WeakPolarHBondContact CD1-CD2 3.48Å; Y89-H100 AromaticContact CD1-CE1 3.97Å; Y89-H100 AromaticContact CD1-CG 3.34Å; Y89-H100 AromaticContact CD1-ND1 3.66Å; Y89-H100 AromaticContact CD1-NE2 3.89Å; Y89-H100 AromaticContact CD2-ND1 3.92Å; Y89-H100 HydrophobicContact CE1-CB 3.59Å; Y89-H100 AromaticContact CE1-CG 3.66Å; Y89-H100 AromaticContact CG-CD2 3.93Å; Y89-H100 AromaticContact CG-CE1 3.61Å; Y89-H100 AromaticContact CG-CG 3.77Å; Y89-H100 AromaticContact CG-ND1 3.56Å; Y89-H100 AromaticContact CG-NE2 3.84Å
90A90.1Very high87.5Confident43 Ų4372.7 Ų72.736%0.35538%0.378SS..EExtended strand (participates in β ladder)trans-137.8144.5171.600000110.7K81 L82 K83K81-A90 HydrophobicContact CB-CB 4.21Å; L82-A90 CarbonylContact O-C 3.59Å; L82-A90 VanDerWaalsContact O-CA 3.25Å; L82-A90 WeakPolarHBondContact O-CA 3.48Å; K83-A90 HydrophobicContact CG-CB 4.26Å
91S87.9Confident87.7Confident11 Ų1170.3 Ų70.38%0.07735%0.352CS..EExtended strand (participates in β ladder)trans-136.7162.5-179.985.40000112.1K81 L82 G93K81-S91 CarbonylContact C-O 3.55Å; K81-S91 WeakPolarHBondContact CA-O 3.42Å; L82-S91 PolarHBondContact N-O 3.02Å; L82-S91 PolarHBondContact O-N 3.47Å; S91-G93 VanDerWaalsContact C-N 3.33Å; S91-G93 PolarHBondContact OG-O 3.07Å; S91-G93 VanDerWaalsContact OG-O 3.1Å
92K88.9Confident87.7Confident183 Ų18369.7 Ų69.780%0.79635%0.348SS*.SBendtrans-86.28.2179.1-70.6-163.5171.7-160.90114.5K81K81-K92 HydrophobicContact CG-CG 4.36Å
93G86.9Confident87.6Confident31 Ų3173.6 Ų73.632%0.3237%0.368SS..SBendtrans-164.7139.5-176.100000113.8S91 A95 R96 L97S91-G93 VanDerWaalsContact C-N 3.33Å; S91-G93 PolarHBondContact OG-O 3.07Å; S91-G93 VanDerWaalsContact OG-O 3.1Å; G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 3.25Å; G93-R96 PolarHBondContact O-N 3.5Å; G93-R96 VanDerWaalsContact O-N 3.1Å; G93-L97 PolarHBondContact O-N 3.43Å
94T86.8Confident87.4Confident84 Ų8473.1 Ų73.152%0.51537%0.367SS..Hα-helixtrans-48-50.6-175.248.40000112.7L82 R96 L97 I98L82-T94 HydrophobicContact CD1-CG2 3.64Å; T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 2.99Å; T94-L97 WeakPolarHBondContact O-CA 3.44Å; T94-L97 WeakPolarHBondContact O-CB 3.45Å; T94-L97 PolarHBondContact O-N 3.46Å; T94-I98 WeakPolarHBondContact O-CG1 3.33Å; T94-I98 PolarHBondContact O-N 3.47Å
95A85.6Confident87.4Confident71 Ų7175.7 Ų75.759%0.58738%0.383SS*.Hα-helixtrans-53.2-41-178.800000113.5G93 E99G93-A95 VanDerWaalsContact C-N 3.34Å; G93-A95 PolarHBondContact O-N 3.25Å; A95-E99 WeakPolarHBondContact O-CB 3.39Å; A95-E99 PolarHBondContact O-N 3.13Å
96R87.2Confident87.4Confident170 Ų17071.7 Ų71.764%0.64238%0.381SS*.Hα-helixtrans-77.2-26.1177.6-76.8-162.2174.3124.210.1113.7G93 T94 H100G93-R96 PolarHBondContact O-N 3.5Å; G93-R96 VanDerWaalsContact O-N 3.1Å; T94-R96 VanDerWaalsContact C-N 3.29Å; T94-R96 PolarHBondContact O-N 2.99Å; R96-H100 WeakPolarHBondContact O-CB 3.33Å; R96-H100 PolarHBondContact O-N 2.83Å; R96-H100 VanDerWaalsContact O-N 3.08Å
97L87Confident87.5Confident0 Ų069.7 Ų69.70%038%0.376CS..Hα-helixtrans-72.3-43.1172.2-177.455.8000110.7F74 L82 K83 C84 Y89 G93 T94 H100 I101F74-L97 HydrophobicContact CB-CD2 4.18Å; F74-L97 HydrophobicContact CD1-CD2 3.63Å; F74-L97 HydrophobicContact CD1-CG 4.42Å; F74-L97 HydrophobicContact CD2-CD2 4.16Å; F74-L97 HydrophobicContact CE1-CD2 4.06Å; F74-L97 HydrophobicContact CE1-CG 4.4Å; F74-L97 HydrophobicContact CG-CD2 3.71Å; F74-L97 HydrophobicContact CZ-CD2 4.48Å; L82-L97 HydrophobicContact CB-CD2 3.53Å; K83-L97 VanDerWaalsContact O-CD2 3.28Å; K83-L97 WeakPolarHBondContact O-CD2 3.46Å; C84-L97 HydrophobicContact CB-CD1 3.77Å; Y89-L97 HydrophobicContact CD1-CD1 4.16Å; Y89-L97 HydrophobicContact CE1-CD1 4.44Å; G93-L97 PolarHBondContact O-N 3.43Å; T94-L97 WeakPolarHBondContact O-CA 3.44Å; T94-L97 WeakPolarHBondContact O-CB 3.45Å; T94-L97 PolarHBondContact O-N 3.46Å; L97-H100 CarbonylContact O-C 3.48Å; L97-H100 WeakPolarHBondContact O-CB 3.5Å; L97-H100 PolarHBondContact O-N 3.21Å; L97-H100 VanDerWaalsContact O-N 3.16Å; L97-I101 HydrophobicContact CD1-CD1 4.18Å; L97-I101 HydrophobicContact CD1-CG1 4.38Å; L97-I101 HydrophobicContact CG-CD1 3.85Å; L97-I101 WeakPolarHBondContact O-CD1 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.27Å; L97-I101 PolarHBondContact O-N 2.98Å
98I86.9Confident87.6Confident74 Ų7473 Ų7338%0.37938%0.384SS..Hα-helixtrans-61.2-47.4172.9-63.9162.4000110.3T94 H100 I101 R102T94-I98 WeakPolarHBondContact O-CG1 3.33Å; T94-I98 PolarHBondContact O-N 3.47Å; I98-H100 PolarHBondContact O-N 3.46Å; I98-I101 PolarHBondContact O-N 3.28Å; I98-I101 VanDerWaalsContact O-N 3.07Å; I98-R102 PolarHBondContact O-N 3.44Å
99E87.6Confident87.6Confident50 Ų5067.9 Ų67.923%0.23436%0.36CS..Hα-helixtrans-54.6-35.3173.7-164.5-157.1161.400112.4A95 Y121 R123A95-E99 WeakPolarHBondContact O-CB 3.39Å; A95-E99 PolarHBondContact O-N 3.13Å; E99-Y121 HydrophobicContact CG-CD1 3.59Å; E99-Y121 HydrophobicContact CG-CE1 3.53Å; E99-Y121 WeakPolarHBondContact OE1-CD1 3.48Å; E99-Y121 WeakPolarHBondContact OE1-CE1 3.44Å; E99-R123 IonicContact OE1-CZ 2.69Å; E99-R123 IonicContact OE1-NH1 3.68Å; E99-R123 PolarHBondContact OE1-NH1 2.83Å; E99-R123 IonicContact OE1-NH2 2.68Å
100H87.8Confident87.8Confident21 Ų2166.4 Ų66.410%0.09736%0.356CS..Hα-helixtrans-77.9-37.6175167.582.7000113.2C84 C87 Y89 R96 L97 I98 R102 I103 H104C84-H100 PolarHBondContact SG-CD2 2.95Å; C84-H100 PolarHBondContact SG-NE2 3.49Å; C84-H100 VanDerWaalsContact SG-NE2 3.35Å; C87-H100 VanDerWaalsContact SG-CE1 3.57Å; C87-H100 PolarHBondContact SG-NE2 3.19Å; C87-H100 VanDerWaalsContact SG-NE2 3.36Å; Y89-H100 VanDerWaalsContact CB-CE1 3.47Å; Y89-H100 WeakPolarHBondContact CB-CE1 3.47Å; Y89-H100 HydrophobicContact CD1-CB 3.83Å; Y89-H100 AromaticContact CD1-CD2 3.49Å; Y89-H100 VanDerWaalsContact CD1-CD2 3.49Å; Y89-H100 WeakPolarHBondContact CD1-CD2 3.48Å; Y89-H100 AromaticContact CD1-CE1 3.97Å; Y89-H100 AromaticContact CD1-CG 3.34Å; Y89-H100 AromaticContact CD1-ND1 3.66Å; Y89-H100 AromaticContact CD1-NE2 3.89Å; Y89-H100 AromaticContact CD2-ND1 3.92Å; Y89-H100 HydrophobicContact CE1-CB 3.59Å; Y89-H100 AromaticContact CE1-CG 3.66Å; Y89-H100 AromaticContact CG-CD2 3.93Å; Y89-H100 AromaticContact CG-CE1 3.61Å; Y89-H100 AromaticContact CG-CG 3.77Å; Y89-H100 AromaticContact CG-ND1 3.56Å; Y89-H100 AromaticContact CG-NE2 3.84Å; R96-H100 WeakPolarHBondContact O-CB 3.33Å; R96-H100 PolarHBondContact O-N 2.83Å; R96-H100 VanDerWaalsContact O-N 3.08Å; L97-H100 CarbonylContact O-C 3.48Å; L97-H100 WeakPolarHBondContact O-CB 3.5Å; L97-H100 PolarHBondContact O-N 3.21Å; L97-H100 VanDerWaalsContact O-N 3.16Å; I98-H100 PolarHBondContact O-N 3.46Å; H100-R102 PolarHBondContact O-N 3.46Å; H100-I103 VanDerWaalsContact O-CB 3.23Å; H100-I103 WeakPolarHBondContact O-CB 3.49Å; H100-I103 VanDerWaalsContact O-CG1 3.23Å; H100-I103 WeakPolarHBondContact O-CG1 3.36Å; H100-I103 PolarHBondContact O-N 3.47Å; H100-H104 AromaticContact CD2-NE2 3.93Å; H100-H104 AromaticContact CE1-NE2 3.55Å; H100-H104 AromaticContact NE2-CD2 3.66Å; H100-H104 AromaticContact NE2-NE2 3.02Å; H100-H104 PolarHBondContact NE2-NE2 3.35Å
101I87.1Confident87.8Confident4 Ų473.6 Ų73.62%0.02137%0.374CS..Hα-helixtrans-62.8-30.7-178-74.9159.3000111.9V71 F74 Y86 L97 I98 I103 H104 T105V71-I101 HydrophobicContact CG1-CD1 4.29Å; V71-I101 HydrophobicContact CG1-CG2 4.39Å; F74-I101 HydrophobicContact CD1-CD1 4.35Å; F74-I101 HydrophobicContact CE1-CD1 3.28Å; F74-I101 HydrophobicContact CZ-CD1 3.54Å; Y86-I101 HydrophobicContact CE2-CG2 4.35Å; L97-I101 HydrophobicContact CD1-CD1 4.18Å; L97-I101 HydrophobicContact CD1-CG1 4.38Å; L97-I101 HydrophobicContact CG-CD1 3.85Å; L97-I101 WeakPolarHBondContact O-CD1 3.49Å; L97-I101 VanDerWaalsContact O-CG1 3.25Å; L97-I101 WeakPolarHBondContact O-CG1 3.27Å; L97-I101 PolarHBondContact O-N 2.98Å; I98-I101 PolarHBondContact O-N 3.28Å; I98-I101 VanDerWaalsContact O-N 3.07Å; I101-I103 PolarHBondContact O-N 3.27Å; I101-H104 WeakPolarHBondContact O-CA 3.38Å; I101-H104 PolarHBondContact O-N 2.98Å; I101-T105 HydrophobicContact CG2-CG2 3.87Å; I101-T105 PolarHBondContact O-N 3.42Å; I101-T105 PolarHBondContact O-OG1 2.91Å
102R88.8Confident88.1Confident58 Ų5873.8 Ų73.822%0.21938%0.375CS..Hα-helixtrans-56.4-18.8171.6-62.6178.9-178.2166.21.9114.5I98 H100 G106 E107 H110 A120I98-R102 PolarHBondContact O-N 3.44Å; H100-R102 PolarHBondContact O-N 3.46Å; R102-G106 WeakPolarHBondContact O-CA 3.4Å; R102-G106 PolarHBondContact O-N 2.88Å; R102-G106 VanDerWaalsContact O-N 3.09Å; R102-E107 HydrophobicContact CB-CB 4.23Å; R102-E107 HydrophobicContact CG-CB 3.96Å; R102-E107 PolarHBondContact O-N 2.88Å; R102-H110 PolarHBondContact NH1-NE2 2.99Å; R102-A120 HydrophobicContact CB-CB 3.76Å; R102-A120 WeakPolarHBondContact CD-O 3.22Å; R102-A120 PolarHBondContact NH1-O 3.24Å
103I86.8Confident88.2Confident101 Ų10172.3 Ų72.352%0.51837%0.371SS..Hα-helixtrans-70.1-34.9171.8-55.5171.5000110.8H100 I101 Y121H100-I103 VanDerWaalsContact O-CB 3.23Å; H100-I103 WeakPolarHBondContact O-CB 3.49Å; H100-I103 VanDerWaalsContact O-CG1 3.23Å; H100-I103 WeakPolarHBondContact O-CG1 3.36Å; H100-I103 PolarHBondContact O-N 3.47Å; I101-I103 PolarHBondContact O-N 3.27Å; I103-Y121 WeakPolarHBondContact CD1-OH 3.47Å; I103-Y121 WeakPolarHBondContact CG1-OH 3.34Å
104H85.9Confident88.4Confident77 Ų7775.4 Ų75.436%0.35638%0.379SS..Hα-helixtrans-89.3-40.6-178.6-56.8-79.9000112.3Y86 H100 I101 G106Y86-H104 WeakPolarHBondContact CB-ND1 3.46Å; Y86-H104 HydrophobicContact CD2-CB 3.99Å; Y86-H104 HydrophobicContact CG-CB 4.03Å; Y86-H104 AromaticContact CG-CG 3.95Å; H100-H104 AromaticContact CD2-NE2 3.93Å; H100-H104 AromaticContact CE1-NE2 3.55Å; H100-H104 AromaticContact NE2-CD2 3.66Å; H100-H104 AromaticContact NE2-NE2 3.02Å; H100-H104 PolarHBondContact NE2-NE2 3.35Å; I101-H104 WeakPolarHBondContact O-CA 3.38Å; I101-H104 PolarHBondContact O-N 2.98Å; H104-G106 VanDerWaalsContact C-N 3.3Å
105T86.6Confident88.6Confident63 Ų6373.1 Ų73.139%0.38737%0.367SS..Hα-helixtrans-79.7-12.3176.661.90000113.3I101 E107I101-T105 HydrophobicContact CG2-CG2 3.87Å; I101-T105 PolarHBondContact O-N 3.42Å; I101-T105 PolarHBondContact O-OG1 2.91Å; T105-E107 VanDerWaalsContact CB-OE1 3.23Å; T105-E107 WeakPolarHBondContact CB-OE1 3.43Å; T105-E107 PolarHBondContact O-N 3.18Å; T105-E107 VanDerWaalsContact OG1-CD 3.22Å; T105-E107 WeakPolarHBondContact OG1-CG 3.38Å; T105-E107 PolarHBondContact OG1-OE1 3.4Å
106G86.2Confident88.9Confident43 Ų4376.2 Ų76.244%0.44338%0.381SS..  trans71.65-178.600000114.7R102 H104 K108R102-G106 WeakPolarHBondContact O-CA 3.4Å; R102-G106 PolarHBondContact O-N 2.88Å; R102-G106 VanDerWaalsContact O-N 3.09Å; H104-G106 VanDerWaalsContact C-N 3.3Å; G106-K108 WeakPolarHBondContact O-CG 3.29Å; G106-K108 PolarHBondContact O-N 3.42Å
107E88.6Confident89.1Confident70 Ų7072 Ų7233%0.32737%0.367SS..  trans-57.2129.7-177-83.2165.8-119.800113.5R102 T105 A120R102-E107 HydrophobicContact CB-CB 4.23Å; R102-E107 HydrophobicContact CG-CB 3.96Å; R102-E107 PolarHBondContact O-N 2.88Å; T105-E107 VanDerWaalsContact CB-OE1 3.23Å; T105-E107 WeakPolarHBondContact CB-OE1 3.43Å; T105-E107 PolarHBondContact O-N 3.18Å; T105-E107 VanDerWaalsContact OG1-CD 3.22Å; T105-E107 WeakPolarHBondContact OG1-CG 3.38Å; T105-E107 PolarHBondContact OG1-OE1 3.4Å; E107-A120 WeakPolarHBondContact O-CA 3.36Å; E107-A120 WeakPolarHBondContact O-CB 3.44Å
108K90.1Very high89.2Confident122 Ų12273.3 Ų73.353%0.5338%0.378SS..  trans-128.570.2-179.7-67.6160-171.9171.30110.8G106 H110 A118 S119G106-K108 WeakPolarHBondContact O-CG 3.29Å; G106-K108 PolarHBondContact O-N 3.42Å; K108-H110 VanDerWaalsContact C-N 3.27Å; K108-H110 PolarHBondContact O-N 3.49Å; K108-A118 HydrophobicContact CB-CB 3.69Å; K108-A118 HydrophobicContact CD-CB 4.35Å; K108-S119 CarbonylContact C-O 3.57Å; K108-S119 WeakPolarHBondContact CA-O 3.22Å
109P88.7Confident89.4Confident68 Ų6870.3 Ų70.344%0.44236%0.364SS..  trans-66.6-27.6-179.125.3-32.8000112.9R111P109-R111 PolarHBondContact O-N 3.24Å; P109-R111 VanDerWaalsContact O-N 3.14Å
110H91.9Very high89.4Confident50 Ų5068.6 Ų68.623%0.23136%0.358CS..EExtended strand (participates in β ladder)trans-86.389-178.8-54.2-81.7000110.4R102 K108 A118 S119 E122 L125R102-H110 PolarHBondContact NH1-NE2 2.99Å; K108-H110 VanDerWaalsContact C-N 3.27Å; K108-H110 PolarHBondContact O-N 3.49Å; H110-A118 WeakPolarHBondContact O-CA 3.3Å; H110-S119 WeakPolarHBondContact CB-O 3.28Å; H110-S119 PolarHBondContact N-O 3.46Å; H110-S119 VanDerWaalsContact N-O 3.13Å; H110-S119 PolarHBondContact O-N 3.25Å; H110-E122 PolarHBondContact CD2-N 2.83Å; H110-E122 VanDerWaalsContact CD2-N 3.34Å; H110-L125 HydrophobicContact CB-CB 4Å; H110-L125 HydrophobicContact CB-CD2 3.9Å
111R91.2Very high89.4Confident194 Ų19469.9 Ų69.973%0.73236%0.362SS*.EExtended strand (participates in β ladder)trans-91.7146179.3-63.2179.2177.9158-0.9112P109 A118 L125P109-R111 PolarHBondContact O-N 3.24Å; P109-R111 VanDerWaalsContact O-N 3.14Å; R111-A118 HydrophobicContact CB-CB 4.48Å; R111-A118 HydrophobicContact CG-CB 3.87Å; R111-L125 VanDerWaalsContact O-CD2 3.3Å; R111-L125 WeakPolarHBondContact O-CD2 3.49Å
112C92.7Very high89.4Confident15 Ų1576.4 Ų76.410%0.10139%0.393CS..  trans-80.7143.9168-174.80000110.4L114 C115 F117 L125 H128 H132C112-L114 PolarHBondContact SG-N 2.84Å; C112-L114 VanDerWaalsContact SG-N 3.35Å; C112-C115 WeakPolarHBondContact CB-O 3.44Å; C112-F117 HydrophobicContact CB-CB 4.2Å; C112-F117 WeakPolarHBondContact CB-O 3.35Å; C112-F117 PolarHBondContact N-O 2.94Å; C112-L125 HydrophobicContact CB-CD1 3.83Å; C112-H128 PolarHBondContact SG-NE2 3.15Å; C112-H132 PolarHBondContact SG-NE2 3.41Å
113H92.1Very high89.3Confident153 Ų15379.2 Ų79.271%0.70840%0.403SS*.SBendtrans-91.5-11175.257.2-94000113M129H113-M129 WeakPolarHBondContact CE1-CE 3.38Å
114L90.4Very high89.3Confident95 Ų9577.8 Ų77.850%0.49739%0.394SS..SBendtrans-100.8-15.3-178.9-58.6178.1000113.7C112 M129 H132C112-L114 PolarHBondContact SG-N 2.84Å; C112-L114 VanDerWaalsContact SG-N 3.35Å; L114-M129 HydrophobicContact CD1-CE 3.7Å; L114-M129 HydrophobicContact CG-CE 4.2Å; L114-H132 HydrophobicContact CD1-CB 3.6Å
115C91.9Very high89.5Confident37 Ų3775.7 Ų75.725%0.2539%0.385CS..SBendtrans-161.6166.6177.878.60000110.7C112 F117 H128 H132C112-C115 WeakPolarHBondContact CB-O 3.44Å; C115-F117 PolarHBondContact O-N 2.79Å; C115-F117 VanDerWaalsContact SG-CB 3.6Å; C115-H128 VanDerWaalsContact SG-CE1 3.53Å; C115-H128 PolarHBondContact SG-NE2 3.05Å; C115-H128 VanDerWaalsContact SG-NE2 3.39Å; C115-H132 WeakPolarHBondContact CB-CE1 3.43Å; C115-H132 PolarHBondContact SG-CE1 3.05Å; C115-H132 PolarHBondContact SG-NE2 3.4Å
116P91.3Very high89.6Confident136 Ų13677 Ų7788%0.88339%0.387SS*.SBendtrans-72.418.9-176.331.1-37.2000114.9
117F90.8Very high89.6Confident81 Ų8175.8 Ų75.836%0.35537%0.373SS..  trans-71.3132.4175.3-179.5-94.4000111C112 C115 H128C112-F117 HydrophobicContact CB-CB 4.2Å; C112-F117 WeakPolarHBondContact CB-O 3.35Å; C112-F117 PolarHBondContact N-O 2.94Å; C115-F117 PolarHBondContact O-N 2.79Å; C115-F117 VanDerWaalsContact SG-CB 3.6Å; F117-H128 HydrophobicContact CD1-CB 3.85Å; F117-H128 AromaticContact CD1-CD2 3.44Å; F117-H128 VanDerWaalsContact CD1-CD2 3.44Å; F117-H128 WeakPolarHBondContact CD1-CD2 3.02Å; F117-H128 AromaticContact CD1-CG 3.36Å; F117-H128 AromaticContact CD1-ND1 3.74Å; F117-H128 AromaticContact CD1-NE2 3.86Å; F117-H128 HydrophobicContact CE1-CB 3.57Å; F117-H128 AromaticContact CE1-CG 3.64Å; F117-H128 AromaticContact CG-CD2 3.96Å; F117-H128 AromaticContact CG-CE1 3.75Å; F117-H128 AromaticContact CG-CG 3.85Å; F117-H128 AromaticContact CG-ND1 3.72Å; F117-H128 AromaticContact CG-NE2 3.9Å; F117-H128 HydrophobicContact CZ-CB 4.18Å
118A90.6Very high89.6Confident28 Ų2873.9 Ų73.923%0.23136%0.364CS..EExtended strand (participates in β ladder)trans-140.6146.3176.100000110.9K108 H110 R111K108-A118 HydrophobicContact CB-CB 3.69Å; K108-A118 HydrophobicContact CD-CB 4.35Å; H110-A118 WeakPolarHBondContact O-CA 3.3Å; R111-A118 HydrophobicContact CB-CB 4.48Å; R111-A118 HydrophobicContact CG-CB 3.87Å
119S89.6Confident89.7Confident11 Ų1170 Ų708%0.07735%0.348CS..EExtended strand (participates in β ladder)trans-138.1155-176.971.50000113.1K108 H110 Y121 L125K108-S119 CarbonylContact C-O 3.57Å; K108-S119 WeakPolarHBondContact CA-O 3.22Å; H110-S119 WeakPolarHBondContact CB-O 3.28Å; H110-S119 PolarHBondContact N-O 3.46Å; H110-S119 VanDerWaalsContact N-O 3.13Å; H110-S119 PolarHBondContact O-N 3.25Å; S119-Y121 PolarHBondContact O-N 2.98Å; S119-Y121 PolarHBondContact OG-O 3.46Å; S119-Y121 VanDerWaalsContact OG-O 3.07Å; S119-L125 PolarHBondContact OG-N 3.39Å
120A88.4Confident89.7Confident13 Ų1368.9 Ų68.911%0.10734%0.335CS..SBendtrans-72.2-8.9174.100000113.7R102 E107R102-A120 HydrophobicContact CB-CB 3.76Å; R102-A120 WeakPolarHBondContact CD-O 3.22Å; R102-A120 PolarHBondContact NH1-O 3.24Å; E107-A120 WeakPolarHBondContact O-CA 3.36Å; E107-A120 WeakPolarHBondContact O-CB 3.44Å
121Y86.9Confident89.5Confident48 Ų4870 Ų7019%0.18835%0.348CS..SBendtrans-141.4120.3-165.5-51.8-89.6000112.4E99 I103 S119 R123 H124 L125E99-Y121 HydrophobicContact CG-CD1 3.59Å; E99-Y121 HydrophobicContact CG-CE1 3.53Å; E99-Y121 WeakPolarHBondContact OE1-CD1 3.48Å; E99-Y121 WeakPolarHBondContact OE1-CE1 3.44Å; I103-Y121 WeakPolarHBondContact CD1-OH 3.47Å; I103-Y121 WeakPolarHBondContact CG1-OH 3.34Å; S119-Y121 PolarHBondContact O-N 2.98Å; S119-Y121 PolarHBondContact OG-O 3.46Å; S119-Y121 VanDerWaalsContact OG-O 3.07Å; Y121-R123 PolarHBondContact O-N 2.31Å; Y121-H124 AromaticContact CD2-CD2 3.61Å; Y121-H124 AromaticContact CG-CD2 3.83Å; Y121-H124 WeakPolarHBondContact O-CB 3.36Å; Y121-H124 PolarHBondContact O-N 3.07Å; Y121-L125 PolarHBondContact O-N 2.61Å
122E88.3Confident89.3Confident141 Ų14165 Ų6566%0.65933%0.333SS*.Hα-helixtrans-46-51.7178.3-169.8-173.6174.700114.3H110 H124 L125 E126H110-E122 PolarHBondContact CD2-N 2.83Å; H110-E122 VanDerWaalsContact CD2-N 3.34Å; E122-H124 PolarHBondContact O-N 3.35Å; E122-L125 CarbonylContact O-C 3.45Å; E122-L125 WeakPolarHBondContact O-CA 3.33Å; E122-L125 WeakPolarHBondContact O-CB 3.41Å; E122-L125 PolarHBondContact O-N 3.04Å; E122-E126 PolarHBondContact O-N 3.29Å
123R85.3Confident89Confident117 Ų11768.5 Ų68.544%0.44235%0.354SS..Hα-helixtrans-52.8-24.4176.463.8172.7-175.6-93.6-6.5114.9E99 Y121 A127E99-R123 IonicContact OE1-CZ 2.69Å; E99-R123 IonicContact OE1-NH1 3.68Å; E99-R123 PolarHBondContact OE1-NH1 2.83Å; E99-R123 IonicContact OE1-NH2 2.68Å; Y121-R123 PolarHBondContact O-N 2.31Å; R123-A127 VanDerWaalsContact O-CB 3.29Å; R123-A127 WeakPolarHBondContact O-CB 3.31Å; R123-A127 PolarHBondContact O-N 3.29Å; R123-A127 VanDerWaalsContact O-N 3.15Å
124H87.1Confident88.7Confident72 Ų7263.1 Ų63.133%0.33334%0.34SS..Hα-helixtrans-91.2-28.4179.2-65.5-38.1000111.5Y121 E122 H128Y121-H124 AromaticContact CD2-CD2 3.61Å; Y121-H124 AromaticContact CG-CD2 3.83Å; Y121-H124 WeakPolarHBondContact O-CB 3.36Å; Y121-H124 PolarHBondContact O-N 3.07Å; E122-H124 PolarHBondContact O-N 3.35Å; H124-H128 VanDerWaalsContact O-CB 3.22Å; H124-H128 WeakPolarHBondContact O-CB 3.34Å; H124-H128 PolarHBondContact O-N 2.82Å; H124-H128 VanDerWaalsContact O-N 3.07Å
125L90Very high88.6Confident32 Ų3263.5 Ų63.517%0.16834%0.339CS..Hα-helixtrans-65.8-47.7162.4176.762.5000110.9H110 R111 C112 S119 Y121 E122 A127 H128 M129H110-L125 HydrophobicContact CB-CB 4Å; H110-L125 HydrophobicContact CB-CD2 3.9Å; R111-L125 VanDerWaalsContact O-CD2 3.3Å; R111-L125 WeakPolarHBondContact O-CD2 3.49Å; C112-L125 HydrophobicContact CB-CD1 3.83Å; S119-L125 PolarHBondContact OG-N 3.39Å; Y121-L125 PolarHBondContact O-N 2.61Å; E122-L125 CarbonylContact O-C 3.45Å; E122-L125 WeakPolarHBondContact O-CA 3.33Å; E122-L125 WeakPolarHBondContact O-CB 3.41Å; E122-L125 PolarHBondContact O-N 3.04Å; L125-A127 PolarHBondContact O-N 3.22Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 WeakPolarHBondContact O-CA 3.28Å; L125-H128 WeakPolarHBondContact O-CB 3.5Å; L125-H128 PolarHBondContact O-N 3.45Å; L125-M129 HydrophobicContact CD1-CG 4.39Å; L125-M129 HydrophobicContact CD1-SD 4.24Å; L125-M129 HydrophobicContact CG-CG 4.49Å; L125-M129 WeakPolarHBondContact O-CG 3.48Å; L125-M129 PolarHBondContact O-N 3.2Å
126E88.8Confident88.4Confident92 Ų9267.4 Ų67.443%0.4335%0.352SS..Hα-helixtrans-58-44.8178-169.3-141.215000112.2E122 H128 M129 R130E122-E126 PolarHBondContact O-N 3.29Å; E126-H128 VanDerWaalsContact C-N 3.29Å; E126-H128 PolarHBondContact O-N 3.4Å; E126-M129 PolarHBondContact O-N 3.24Å; E126-R130 VanDerWaalsContact CD-NH1 3.33Å; E126-R130 IonicContact OE1-CZ 3.53Å; E126-R130 IonicContact OE1-NH1 2.62Å; E126-R130 PolarHBondContact OE1-NH1 3.02Å; E126-R130 IonicContact OE1-NH2 2.78Å; E126-R130 PolarHBondContact OE1-NH2 3.28Å
127A87.8Confident88.2Confident16 Ų1663.8 Ų63.813%0.13233%0.329CS..Hα-helixtrans-67.3-27.7173.100000113.5R123 L125 D149R123-A127 VanDerWaalsContact O-CB 3.29Å; R123-A127 WeakPolarHBondContact O-CB 3.31Å; R123-A127 PolarHBondContact O-N 3.29Å; R123-A127 VanDerWaalsContact O-N 3.15Å; L125-A127 PolarHBondContact O-N 3.22Å; A127-D149 HydrophobicContact CB-CB 4.23Å
128H88.6Confident88Confident30 Ų3063.5 Ų63.514%0.13933%0.326CS..Hα-helixtrans-76.2-38.9173.6165.478.4000112.3C112 C115 F117 H124 L125 E126 R130 S131 H132C112-H128 PolarHBondContact SG-NE2 3.15Å; C115-H128 VanDerWaalsContact SG-CE1 3.53Å; C115-H128 PolarHBondContact SG-NE2 3.05Å; C115-H128 VanDerWaalsContact SG-NE2 3.39Å; F117-H128 HydrophobicContact CD1-CB 3.85Å; F117-H128 AromaticContact CD1-CD2 3.44Å; F117-H128 VanDerWaalsContact CD1-CD2 3.44Å; F117-H128 WeakPolarHBondContact CD1-CD2 3.02Å; F117-H128 AromaticContact CD1-CG 3.36Å; F117-H128 AromaticContact CD1-ND1 3.74Å; F117-H128 AromaticContact CD1-NE2 3.86Å; F117-H128 HydrophobicContact CE1-CB 3.57Å; F117-H128 AromaticContact CE1-CG 3.64Å; F117-H128 AromaticContact CG-CD2 3.96Å; F117-H128 AromaticContact CG-CE1 3.75Å; F117-H128 AromaticContact CG-CG 3.85Å; F117-H128 AromaticContact CG-ND1 3.72Å; F117-H128 AromaticContact CG-NE2 3.9Å; F117-H128 HydrophobicContact CZ-CB 4.18Å; H124-H128 VanDerWaalsContact O-CB 3.22Å; H124-H128 WeakPolarHBondContact O-CB 3.34Å; H124-H128 PolarHBondContact O-N 2.82Å; H124-H128 VanDerWaalsContact O-N 3.07Å; L125-H128 CarbonylContact O-C 3.59Å; L125-H128 WeakPolarHBondContact O-CA 3.28Å; L125-H128 WeakPolarHBondContact O-CB 3.5Å; L125-H128 PolarHBondContact O-N 3.45Å; E126-H128 VanDerWaalsContact C-N 3.29Å; E126-H128 PolarHBondContact O-N 3.4Å; H128-R130 PolarHBondContact O-N 3.22Å; H128-S131 WeakPolarHBondContact O-CA 3.44Å; H128-S131 VanDerWaalsContact O-CB 3.28Å; H128-S131 WeakPolarHBondContact O-CB 3.34Å; H128-S131 PolarHBondContact O-N 3.24Å; H128-S131 PolarHBondContact O-OG 3.41Å; H128-H132 AromaticContact CD2-NE2 3.46Å; H128-H132 PolarHBondContact CD2-NE2 2.93Å; H128-H132 AromaticContact CE1-NE2 2.83Å; H128-H132 PolarHBondContact CE1-NE2 2.92Å; H128-H132 AromaticContact NE2-CD2 3.62Å; H128-H132 AromaticContact NE2-NE2 2.31Å; H128-H132 PolarHBondContact NE2-NE2 3.29Å
129M90.8Very high88Confident40 Ų4068 Ų6820%0.19734%0.34CS..Hα-helixtrans-57.2-35.4176.5-69.1-51.5-56.600112.2H113 L114 L125 E126 S131 H132 T133H113-M129 WeakPolarHBondContact CE1-CE 3.38Å; L114-M129 HydrophobicContact CD1-CE 3.7Å; L114-M129 HydrophobicContact CG-CE 4.2Å; L125-M129 HydrophobicContact CD1-CG 4.39Å; L125-M129 HydrophobicContact CD1-SD 4.24Å; L125-M129 HydrophobicContact CG-CG 4.49Å; L125-M129 WeakPolarHBondContact O-CG 3.48Å; L125-M129 PolarHBondContact O-N 3.2Å; E126-M129 PolarHBondContact O-N 3.24Å; M129-S131 PolarHBondContact O-N 3Å; M129-S131 VanDerWaalsContact O-N 3.13Å; M129-H132 WeakPolarHBondContact O-CB 3.32Å; M129-H132 PolarHBondContact O-N 3.39Å; M129-T133 PolarHBondContact O-N 2.84Å
130R89.7Confident88Confident46 Ų4667.5 Ų67.517%0.17434%0.337CS..Hα-helixtrans-62.9-12.9172.2-67.6-175.8178.2101.32.6115E126 H128 G134 E135 S148E126-R130 VanDerWaalsContact CD-NH1 3.33Å; E126-R130 IonicContact OE1-CZ 3.53Å; E126-R130 IonicContact OE1-NH1 2.62Å; E126-R130 PolarHBondContact OE1-NH1 3.02Å; E126-R130 IonicContact OE1-NH2 2.78Å; E126-R130 PolarHBondContact OE1-NH2 3.28Å; H128-R130 PolarHBondContact O-N 3.22Å; R130-G134 CarbonylContact O-C 3.43Å; R130-G134 WeakPolarHBondContact O-CA 3.22Å; R130-G134 PolarHBondContact O-N 2.82Å; R130-E135 HydrophobicContact CB-CB 4.12Å; R130-E135 HydrophobicContact CG-CB 4.03Å; R130-E135 IonicContact NE-OE2 3.57Å; R130-E135 PolarHBondContact O-N 2.7Å; R130-E135 VanDerWaalsContact O-N 3.14Å; R130-S148 WeakPolarHBondContact CD-O 3.42Å
131S86.9Confident88.1Confident73 Ų7372.8 Ų72.851%0.5136%0.359SS..Hα-helixtrans-79.1-29.4170.5720000112.3H128 M129H128-S131 WeakPolarHBondContact O-CA 3.44Å; H128-S131 VanDerWaalsContact O-CB 3.28Å; H128-S131 WeakPolarHBondContact O-CB 3.34Å; H128-S131 PolarHBondContact O-N 3.24Å; H128-S131 PolarHBondContact O-OG 3.41Å; M129-S131 PolarHBondContact O-N 3Å; M129-S131 VanDerWaalsContact O-N 3.13Å
132H87.4Confident88.2Confident88 Ų8874.1 Ų74.141%0.40737%0.369SS..Hα-helixtrans-77.5-43.3172.7-66-77000112.2C112 L114 C115 H128 M129 G134C112-H132 PolarHBondContact SG-NE2 3.41Å; L114-H132 HydrophobicContact CD1-CB 3.6Å; C115-H132 WeakPolarHBondContact CB-CE1 3.43Å; C115-H132 PolarHBondContact SG-CE1 3.05Å; C115-H132 PolarHBondContact SG-NE2 3.4Å; H128-H132 AromaticContact CD2-NE2 3.46Å; H128-H132 PolarHBondContact CD2-NE2 2.93Å; H128-H132 AromaticContact CE1-NE2 2.83Å; H128-H132 PolarHBondContact CE1-NE2 2.92Å; H128-H132 AromaticContact NE2-CD2 3.62Å; H128-H132 AromaticContact NE2-NE2 2.31Å; H128-H132 PolarHBondContact NE2-NE2 3.29Å; M129-H132 WeakPolarHBondContact O-CB 3.32Å; M129-H132 PolarHBondContact O-N 3.39Å; H132-G134 PolarHBondContact O-N 3.17Å
133T86.8Confident88.3Confident89 Ų8969.7 Ų69.755%0.54635%0.354SS..SBendtrans-77.2-8.217665.30000113.8M129 E135M129-T133 PolarHBondContact O-N 2.84Å; T133-E135 PolarHBondContact O-N 3.25Å; T133-E135 WeakPolarHBondContact OG1-CB 3.19Å; T133-E135 WeakPolarHBondContact OG1-CG 3.11Å
134G85.8Confident88.5Confident41 Ų4169.7 Ų69.742%0.42337%0.371SS..  trans69.72.5-175.800000115.2R130 H132 K136R130-G134 CarbonylContact O-C 3.43Å; R130-G134 WeakPolarHBondContact O-CA 3.22Å; R130-G134 PolarHBondContact O-N 2.82Å; H132-G134 PolarHBondContact O-N 3.17Å; G134-K136 PolarHBondContact O-N 3.12Å
135E87.6Confident88.5Confident102 Ų10270 Ų7048%0.47737%0.372SS..  trans-59.6128-175.3-86.7-174.5-158.500113.7R130 T133 P137 S148R130-E135 HydrophobicContact CB-CB 4.12Å; R130-E135 HydrophobicContact CG-CB 4.03Å; R130-E135 IonicContact NE-OE2 3.57Å; R130-E135 PolarHBondContact O-N 2.7Å; R130-E135 VanDerWaalsContact O-N 3.14Å; T133-E135 PolarHBondContact O-N 3.25Å; T133-E135 WeakPolarHBondContact OG1-CB 3.19Å; T133-E135 WeakPolarHBondContact OG1-CG 3.11Å; E135-P137 VanDerWaalsContact C-CD 3.43Å; E135-P137 WeakPolarHBondContact O-CD 3.38Å; E135-S148 WeakPolarHBondContact O-CA 3.44Å; E135-S148 WeakPolarHBondContact O-CB 3.25Å
136K87.6Confident88.5Confident120 Ų12074.6 Ų74.652%0.52239%0.387SS..  trans-126.465178.7-67162.4-167.5166.30111G134 Y138 R146 C147G134-K136 PolarHBondContact O-N 3.12Å; K136-Y138 VanDerWaalsContact C-N 3.28Å; K136-Y138 PolarHBondContact O-N 3.1Å; K136-R146 HydrophobicContact CB-CB 3.8Å; K136-R146 VanDerWaalsContact O-CZ 3.28Å; K136-R146 PolarHBondContact O-NE 2.78Å; K136-R146 PolarHBondContact O-NH2 3.13Å; K136-C147 CarbonylContact C-O 3.54Å; K136-C147 WeakPolarHBondContact CA-O 3.48Å
137P86.5Confident88.3Confident60 Ų6070.8 Ų70.839%0.3937%0.37SS..  trans-62.1-34.3-177.524.3-33.8000112.5E135 K139 R146E135-P137 VanDerWaalsContact C-CD 3.43Å; E135-P137 WeakPolarHBondContact O-CD 3.38Å; P137-K139 PolarHBondContact O-N 2.87Å; P137-K139 VanDerWaalsContact O-N 3.08Å; P137-R146 PolarHBondContact O-NH2 2.87Å
138Y87.9Confident88.3Confident74 Ų7471.4 Ų71.429%0.2937%0.374SS..EExtended strand (participates in β ladder)trans-81.192.8-176-57.5-72.5000111.9K136 R146 C147 S148 R150K136-Y138 VanDerWaalsContact C-N 3.28Å; K136-Y138 PolarHBondContact O-N 3.1Å; Y138-R146 CarbonylContact O-C 3.37Å; Y138-R146 WeakPolarHBondContact O-CA 3.41Å; Y138-C147 WeakPolarHBondContact CB-O 3.48Å; Y138-C147 PolarHBondContact N-O 3.4Å; Y138-C147 VanDerWaalsContact N-O 3.15Å; Y138-C147 PolarHBondContact O-N 3.45Å; Y138-S148 WeakPolarHBondContact CD2-O 3.39Å; Y138-S148 WeakPolarHBondContact CE2-O 3.35Å; Y138-R150 HydrophobicContact CD1-CB 4.14Å; Y138-R150 HydrophobicContact CD1-CG 4.49Å; Y138-R150 HydrophobicContact CE1-CB 3.78Å; Y138-R150 HydrophobicContact CE1-CG 4.21Å; Y138-R150 HydrophobicContact CE2-CB 4.26Å
139K90.2Very high88.1Confident122 Ų12271.4 Ų71.453%0.5338%0.375SS..EExtended strand (participates in β ladder)trans-85.9146.5172.1175.4175.1175.4-173.30111.9P137 R146 L153P137-K139 PolarHBondContact O-N 2.87Å; P137-K139 VanDerWaalsContact O-N 3.08Å; K139-R146 HydrophobicContact CB-CG 4.04Å; K139-R146 HydrophobicContact CG-CG 4.19Å; K139-L153 WeakPolarHBondContact O-CD2 3.44Å
140C90.3Very high87.9Confident1 Ų177.2 Ų77.21%0.00739%0.394CS..  trans-80.8136.1165.6-164.70000111.3L142 F145 L153 H156C140-L142 VanDerWaalsContact C-N 3.28Å; C140-F145 HydrophobicContact CB-CB 4.19Å; C140-F145 PolarHBondContact N-O 3.37Å; C140-L153 HydrophobicContact CB-CD1 3.93Å; C140-H156 PolarHBondContact SG-NE2 3.34Å
141E90.2Very high87.7Confident124 Ų12477.6 Ų77.658%0.57940%0.404SS*.SBendtrans-75.9-20.1176.4-65.4166.8152.400112.2W179E141-W179 WeakPolarHBondContact OE2-CZ2 3.32Å
142L87.9Confident87.7Confident76 Ų7678.3 Ų78.340%0.39840%0.402SS..SBendtrans-104.2-2.2-173.1-60.3178.5000114.4C140 H161 M163 W179C140-L142 VanDerWaalsContact C-N 3.28Å; L142-H161 VanDerWaalsContact CB-CE1 3.45Å; L142-H161 WeakPolarHBondContact CB-CE1 3.5Å; L142-H161 HydrophobicContact CD1-CB 3.75Å; L142-H161 PolarHBondContact O-CE1 3.07Å; L142-M163 HydrophobicContact CD1-CE 4.29Å; L142-M163 HydrophobicContact CD1-CG 4.21Å; L142-M163 HydrophobicContact CD1-SD 3.57Å; L142-M163 VanDerWaalsContact CD1-SD 3.57Å; L142-W179 HydrophobicContact CD2-CH2 4.31Å; L142-W179 HydrophobicContact CD2-CZ3 4.12Å
143C90.8Very high87.7Confident49 Ų4975.2 Ų75.233%0.33139%0.389SS..SBendtrans-164177.5171.966.90000111.3F145 H156 H161C143-F145 PolarHBondContact O-N 3.34Å; C143-F145 VanDerWaalsContact SG-CB 3.52Å; C143-H156 VanDerWaalsContact SG-CE1 3.59Å; C143-H156 PolarHBondContact SG-NE2 2.9Å; C143-H161 PolarHBondContact SG-NE2 3.34Å
144S89.5Confident87.8Confident116 Ų11672.4 Ų72.481%0.81137%0.373SS*.SBendtrans-69.8-3.1178.749.30000115.6R146S144-R146 PolarHBondContact O-N 3.14Å
145F88.2Confident87.9Confident80 Ų8075.4 Ų75.435%0.35138%0.375SS..  trans-61.3134.6-176.6-177.4-98.9000112.8C140 C143 C147 H156C140-F145 HydrophobicContact CB-CB 4.19Å; C140-F145 PolarHBondContact N-O 3.37Å; C143-F145 PolarHBondContact O-N 3.34Å; C143-F145 VanDerWaalsContact SG-CB 3.52Å; F145-C147 HydrophobicContact CE1-CB 3.92Å; F145-C147 HydrophobicContact CZ-CB 4.04Å; F145-H156 VanDerWaalsContact CB-CE1 3.5Å; F145-H156 WeakPolarHBondContact CB-CE1 3.38Å; F145-H156 HydrophobicContact CD1-CB 3.98Å; F145-H156 AromaticContact CD1-CD2 3.69Å; F145-H156 AromaticContact CD1-CE1 3.82Å; F145-H156 AromaticContact CD1-CG 3.45Å; F145-H156 VanDerWaalsContact CD1-CG 3.45Å; F145-H156 AromaticContact CD1-ND1 3.52Å; F145-H156 AromaticContact CD1-NE2 3.94Å; F145-H156 AromaticContact CD2-ND1 3.88Å; F145-H156 HydrophobicContact CE1-CB 3.67Å; F145-H156 AromaticContact CE1-CG 3.67Å; F145-H156 AromaticContact CE1-ND1 3.88Å; F145-H156 AromaticContact CG-CE1 3.53Å; F145-H156 AromaticContact CG-CG 3.95Å; F145-H156 AromaticContact CG-ND1 3.52Å; F145-H156 AromaticContact CG-NE2 3.97Å; F145-H156 HydrophobicContact CZ-CB 4.27Å
146R88.4Confident87.9Confident127 Ų12771.8 Ų71.848%0.47936%0.359SS..EExtended strand (participates in β ladder)trans-136.2147.2173.1-53-171.864.7132.35.1111.2K136 P137 Y138 K139 S144K136-R146 HydrophobicContact CB-CB 3.8Å; K136-R146 VanDerWaalsContact O-CZ 3.28Å; K136-R146 PolarHBondContact O-NE 2.78Å; K136-R146 PolarHBondContact O-NH2 3.13Å; P137-R146 PolarHBondContact O-NH2 2.87Å; Y138-R146 CarbonylContact O-C 3.37Å; Y138-R146 WeakPolarHBondContact O-CA 3.41Å; K139-R146 HydrophobicContact CB-CG 4.04Å; K139-R146 HydrophobicContact CG-CG 4.19Å; S144-R146 PolarHBondContact O-N 3.14Å
147C85.8Confident87.9Confident12 Ų1269.7 Ų69.78%0.08135%0.348CS..EExtended strand (participates in β ladder)trans-147.5166.3177.955.90000113.2K136 Y138 F145 D149 N152 L153K136-C147 CarbonylContact C-O 3.54Å; K136-C147 WeakPolarHBondContact CA-O 3.48Å; Y138-C147 WeakPolarHBondContact CB-O 3.48Å; Y138-C147 PolarHBondContact N-O 3.4Å; Y138-C147 VanDerWaalsContact N-O 3.15Å; Y138-C147 PolarHBondContact O-N 3.45Å; F145-C147 HydrophobicContact CE1-CB 3.92Å; F145-C147 HydrophobicContact CZ-CB 4.04Å; C147-D149 PolarHBondContact SG-O 2.87Å; C147-N152 HydrophobicContact CB-CB 4.34Å; C147-L153 PolarHBondContact SG-N 2.89Å; C147-L153 VanDerWaalsContact SG-N 3.4Å
148S86.5Confident88Confident30 Ų3071.9 Ų71.921%0.2135%0.348CS..SBendtrans-81.2-17.3-178.949.10000114.6R130 E135 Y138R130-S148 WeakPolarHBondContact CD-O 3.42Å; E135-S148 WeakPolarHBondContact O-CA 3.44Å; E135-S148 WeakPolarHBondContact O-CB 3.25Å; Y138-S148 WeakPolarHBondContact CD2-O 3.39Å; Y138-S148 WeakPolarHBondContact CE2-O 3.35Å
149D85.3Confident88Confident29 Ų2977.2 Ų77.216%0.15537%0.367CS..  trans-127.1141.8-177.3158.653.3000112.9A127 C147 S151 N152 L153A127-D149 HydrophobicContact CB-CB 4.23Å; C147-D149 PolarHBondContact SG-O 2.87Å; D149-S151 VanDerWaalsContact C-N 3.34Å; D149-S151 PolarHBondContact OD1-N 2.89Å; D149-S151 PolarHBondContact OD1-OG 3.19Å; D149-S151 VanDerWaalsContact OD2-CA 3.32Å; D149-S151 WeakPolarHBondContact OD2-CA 3.33Å; D149-S151 WeakPolarHBondContact OD2-CB 3.44Å; D149-S151 PolarHBondContact OD2-N 2.89Å; D149-S151 VanDerWaalsContact OD2-N 3.12Å; D149-S151 PolarHBondContact OD2-OG 3.48Å; D149-N152 HydrophobicContact CB-CB 4.36Å; D149-N152 PolarHBondContact O-N 2.84Å; D149-N152 PolarHBondContact OD2-N 2.9Å; D149-N152 PolarHBondContact OD2-ND2 3.43Å; D149-L153 PolarHBondContact O-N 2.79Å
150R86.1Confident87.9Confident162 Ų16279.2 Ų79.261%0.61138%0.376SS*.Hα-helixtrans-64.4-34.7176.3-172178.4-176.5167.93.7112.7Y138 L153 S154Y138-R150 HydrophobicContact CD1-CB 4.14Å; Y138-R150 HydrophobicContact CD1-CG 4.49Å; Y138-R150 HydrophobicContact CE1-CB 3.78Å; Y138-R150 HydrophobicContact CE1-CG 4.21Å; Y138-R150 HydrophobicContact CE2-CB 4.26Å; R150-L153 PolarHBondContact O-N 2.9Å; R150-S154 PolarHBondContact O-N 2.93Å
151S85.7Confident87.8Confident54 Ų5481.8 Ų81.838%0.37839%0.388SS..Hα-helixtrans-66.1-47.8179.3-31.80000109.6D149 L153 S154 H155D149-S151 VanDerWaalsContact C-N 3.34Å; D149-S151 PolarHBondContact OD1-N 2.89Å; D149-S151 PolarHBondContact OD1-OG 3.19Å; D149-S151 VanDerWaalsContact OD2-CA 3.32Å; D149-S151 WeakPolarHBondContact OD2-CA 3.33Å; D149-S151 WeakPolarHBondContact OD2-CB 3.44Å; D149-S151 PolarHBondContact OD2-N 2.89Å; D149-S151 VanDerWaalsContact OD2-N 3.12Å; D149-S151 PolarHBondContact OD2-OG 3.48Å; S151-L153 PolarHBondContact O-N 2.99Å; S151-S154 CarbonylContact O-C 3.53Å; S151-S154 WeakPolarHBondContact O-CA 3.46Å; S151-S154 WeakPolarHBondContact O-CB 3.23Å; S151-S154 PolarHBondContact O-N 3.1Å; S151-H155 PolarHBondContact O-CD2 3.21Å; S151-H155 PolarHBondContact O-N 2.96Å
152N86.8Confident87.4Confident88 Ų8884.7 Ų84.747%0.47140%0.399SS..Hα-helixtrans-56.1-44.3172.8-76.9-32.1000112.6C147 D149 S154 H155 H156C147-N152 HydrophobicContact CB-CB 4.34Å; D149-N152 HydrophobicContact CB-CB 4.36Å; D149-N152 PolarHBondContact O-N 2.84Å; D149-N152 PolarHBondContact OD2-N 2.9Å; D149-N152 PolarHBondContact OD2-ND2 3.43Å; N152-S154 VanDerWaalsContact C-N 3.31Å; N152-S154 PolarHBondContact O-N 3.1Å; N152-H155 PolarHBondContact O-N 3.16Å; N152-H156 WeakPolarHBondContact O-CB 3.36Å; N152-H156 PolarHBondContact O-N 2.84Å
153L88.7Confident86.7Confident23 Ų2383.5 Ų83.512%0.1239%0.392CS..Hα-helixtrans-60.9-40.5172.6178.760.5000111.7K139 C140 C147 D149 R150 S151 H156 R157K139-L153 WeakPolarHBondContact O-CD2 3.44Å; C140-L153 HydrophobicContact CB-CD1 3.93Å; C147-L153 PolarHBondContact SG-N 2.89Å; C147-L153 VanDerWaalsContact SG-N 3.4Å; D149-L153 PolarHBondContact O-N 2.79Å; R150-L153 PolarHBondContact O-N 2.9Å; S151-L153 PolarHBondContact O-N 2.99Å; L153-H156 PolarHBondContact O-N 3.27Å; L153-R157 HydrophobicContact CD1-CG 4.18Å; L153-R157 WeakPolarHBondContact O-CB 3.37Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.3Å
154S88.3Confident85.5Confident31 Ų3187 Ų8722%0.21741%0.411CS..Hα-helixtrans-66.6-38.6177.5-164.10000112.5R150 S151 N152 R158R150-S154 PolarHBondContact O-N 2.93Å; S151-S154 CarbonylContact O-C 3.53Å; S151-S154 WeakPolarHBondContact O-CA 3.46Å; S151-S154 WeakPolarHBondContact O-CB 3.23Å; S151-S154 PolarHBondContact O-N 3.1Å; N152-S154 VanDerWaalsContact C-N 3.31Å; N152-S154 PolarHBondContact O-N 3.1Å; S154-R158 WeakPolarHBondContact O-CB 3.23Å; S154-R158 VanDerWaalsContact O-CG 3.28Å; S154-R158 WeakPolarHBondContact O-CG 3.23Å; S154-R158 PolarHBondContact O-N 3.32Å; S154-R158 PolarHBondContact OG-NH1 2.81Å; S154-R158 PolarHBondContact OG-NH2 2.87Å
155H87.1Confident83.9Confident103 Ų10384.3 Ų84.348%0.47739%0.391SS..Hα-helixtrans-67.7-43173.7-74.1-71.3000112S151 N152 R158 R159S151-H155 PolarHBondContact O-CD2 3.21Å; S151-H155 PolarHBondContact O-N 2.96Å; N152-H155 PolarHBondContact O-N 3.16Å; H155-R158 PolarHBondContact O-N 3.28Å; H155-R159 WeakPolarHBondContact O-CB 3.38Å; H155-R159 VanDerWaalsContact O-CG 3.31Å; H155-R159 WeakPolarHBondContact O-CG 3.37Å; H155-R159 PolarHBondContact O-N 3.08Å
156H89.3Confident82.4Confident27 Ų2786.4 Ų86.413%0.12541%0.405CS..Hα-helixtrans-55.4-52.2172.1168.687.8000111.5C140 C143 F145 N152 L153 R158 R159 K160 H161C140-H156 PolarHBondContact SG-NE2 3.34Å; C143-H156 VanDerWaalsContact SG-CE1 3.59Å; C143-H156 PolarHBondContact SG-NE2 2.9Å; F145-H156 VanDerWaalsContact CB-CE1 3.5Å; F145-H156 WeakPolarHBondContact CB-CE1 3.38Å; F145-H156 HydrophobicContact CD1-CB 3.98Å; F145-H156 AromaticContact CD1-CD2 3.69Å; F145-H156 AromaticContact CD1-CE1 3.82Å; F145-H156 AromaticContact CD1-CG 3.45Å; F145-H156 VanDerWaalsContact CD1-CG 3.45Å; F145-H156 AromaticContact CD1-ND1 3.52Å; F145-H156 AromaticContact CD1-NE2 3.94Å; F145-H156 AromaticContact CD2-ND1 3.88Å; F145-H156 HydrophobicContact CE1-CB 3.67Å; F145-H156 AromaticContact CE1-CG 3.67Å; F145-H156 AromaticContact CE1-ND1 3.88Å; F145-H156 AromaticContact CG-CE1 3.53Å; F145-H156 AromaticContact CG-CG 3.95Å; F145-H156 AromaticContact CG-ND1 3.52Å; F145-H156 AromaticContact CG-NE2 3.97Å; F145-H156 HydrophobicContact CZ-CB 4.27Å; N152-H156 WeakPolarHBondContact O-CB 3.36Å; N152-H156 PolarHBondContact O-N 2.84Å; L153-H156 PolarHBondContact O-N 3.27Å; H156-R158 PolarHBondContact O-N 3.47Å; H156-R159 PolarHBondContact O-N 2.82Å; H156-R159 VanDerWaalsContact O-N 3.17Å; H156-K160 WeakPolarHBondContact O-CB 3.25Å; H156-K160 PolarHBondContact O-N 2.99Å; H156-H161 AromaticContact CD2-CD2 3.98Å; H156-H161 AromaticContact CE1-NE2 3.99Å; H156-H161 AromaticContact NE2-CD2 3.47Å; H156-H161 PolarHBondContact NE2-CD2 3.03Å; H156-H161 AromaticContact NE2-NE2 3.24Å; H156-H161 PolarHBondContact NE2-NE2 3.07Å
157R86.6Confident80.2Confident76 Ų7690.4 Ų90.429%0.28743%0.426SS..Hα-helixtrans-60.6-41.5179.8-74.717864.1-155.90.6113L153 H161 K162 M163L153-R157 HydrophobicContact CD1-CG 4.18Å; L153-R157 WeakPolarHBondContact O-CB 3.37Å; L153-R157 WeakPolarHBondContact O-CG 3.42Å; L153-R157 PolarHBondContact O-N 3.3Å; R157-H161 CarbonylContact O-C 3.57Å; R157-H161 WeakPolarHBondContact O-CA 3.28Å; R157-H161 WeakPolarHBondContact O-CB 3.46Å; R157-H161 PolarHBondContact O-N 2.95Å; R157-K162 PolarHBondContact O-N 3Å; R157-M163 HydrophobicContact CB-CB 4.36Å; R157-M163 PolarHBondContact NH2-SD 3.23Å; R157-M163 PolarHBondContact O-N 2.64Å
158R87.8Confident78.1Confident105 Ų10593.5 Ų93.540%0.39646%0.46SS..Hα-helixtrans-65.4-39.3174.2-71.2177-163.1120.2-8.4112.8S154 H155 H156 K162 M163S154-R158 WeakPolarHBondContact O-CB 3.23Å; S154-R158 VanDerWaalsContact O-CG 3.28Å; S154-R158 WeakPolarHBondContact O-CG 3.23Å; S154-R158 PolarHBondContact O-N 3.32Å; S154-R158 PolarHBondContact OG-NH1 2.81Å; S154-R158 PolarHBondContact OG-NH2 2.87Å; H155-R158 PolarHBondContact O-N 3.28Å; H156-R158 PolarHBondContact O-N 3.47Å; R158-K162 WeakPolarHBondContact O-CA 3.47Å; R158-M163 WeakPolarHBondContact CG-O 3.49Å
159R88.8Confident75.8Confident186 Ų18696.7 Ų96.770%0.70248%0.478SS*.Hα-helixtrans-85.9-44-173.4-70.2-66.3-166.5-173.52.9114H155 H156H155-R159 WeakPolarHBondContact O-CB 3.38Å; H155-R159 VanDerWaalsContact O-CG 3.31Å; H155-R159 WeakPolarHBondContact O-CG 3.37Å; H155-R159 PolarHBondContact O-N 3.08Å; H156-R159 PolarHBondContact O-N 2.82Å; H156-R159 VanDerWaalsContact O-N 3.17Å
160K88.6Confident73.5Confident164 Ų164107 Ų10771%0.71351%0.514SS*.Hα-helixtrans-92.1-35.1-175.3-66.5-67-172.3173.40113H156H156-K160 WeakPolarHBondContact O-CB 3.25Å; H156-K160 PolarHBondContact O-N 2.99Å
161H87.6Confident71.3Confident56 Ų56103.7 Ų103.726%0.25952%0.517SS..SBendtrans-110.76.8-177.7-57.9-73.3000113.7L142 C143 H156 R157 M163L142-H161 VanDerWaalsContact CB-CE1 3.45Å; L142-H161 WeakPolarHBondContact CB-CE1 3.5Å; L142-H161 HydrophobicContact CD1-CB 3.75Å; L142-H161 PolarHBondContact O-CE1 3.07Å; C143-H161 PolarHBondContact SG-NE2 3.34Å; H156-H161 AromaticContact CD2-CD2 3.98Å; H156-H161 AromaticContact CE1-NE2 3.99Å; H156-H161 AromaticContact NE2-CD2 3.47Å; H156-H161 PolarHBondContact NE2-CD2 3.03Å; H156-H161 AromaticContact NE2-NE2 3.24Å; H156-H161 PolarHBondContact NE2-NE2 3.07Å; R157-H161 CarbonylContact O-C 3.57Å; R157-H161 WeakPolarHBondContact O-CA 3.28Å; R157-H161 WeakPolarHBondContact O-CB 3.46Å; R157-H161 PolarHBondContact O-N 2.95Å; H161-M163 HydrophobicContact CB-CG 3.95Å; H161-M163 PolarHBondContact O-N 3.48Å
162K82.5Confident69Low184 Ų184106.3 Ų106.380%0.854%0.535SS*.  trans51.519.1-178.1-61.3-179.2-179176.30114.7R157 R158 V164R157-K162 PolarHBondContact O-N 3Å; R158-K162 WeakPolarHBondContact O-CA 3.47Å; K162-V164 PolarHBondContact O-N 3.09Å
163M71.8Confident67.2Low51 Ų51109.9 Ų109.925%0.25155%0.553SS.*  trans-74.7113-176-62.5-160.3100.700111L142 R157 R158 H161 W179L142-M163 HydrophobicContact CD1-CE 4.29Å; L142-M163 HydrophobicContact CD1-CG 4.21Å; L142-M163 HydrophobicContact CD1-SD 3.57Å; L142-M163 VanDerWaalsContact CD1-SD 3.57Å; R157-M163 HydrophobicContact CB-CB 4.36Å; R157-M163 PolarHBondContact NH2-SD 3.23Å; R157-M163 PolarHBondContact O-N 2.64Å; R158-M163 WeakPolarHBondContact CG-O 3.49Å; H161-M163 HydrophobicContact CB-CG 3.95Å; H161-M163 PolarHBondContact O-N 3.48Å; M163-W179 HydrophobicContact CE-CH2 3.63Å; M163-W179 HydrophobicContact CE-CZ2 4.42Å; M163-W179 HydrophobicContact CE-CZ3 4.2Å; M163-W179 HydrophobicContact SD-CH2 4.39Å
164V65.8Low64.9Low123 Ų123113.5 Ų113.575%0.74558%0.581SS**  trans-69.3135.1164.4-175.60000108.4K162 I166K162-V164 PolarHBondContact O-N 3.09Å; V164-I166 PolarHBondContact O-N 2.83Å
165P56.4Low62.7Low60 Ų60116.2 Ų116.239%0.3960%0.6SS.*  trans-63.7123.9172.2-18.330.9000110.4K167P165-K167 PolarHBondContact O-N 3.07Å
166I57.3Low61.1Low124 Ų124121.4 Ų121.464%0.63662%0.621SS**  trans-66.2105171.9-57.6175.4000107.8V164 G168V164-I166 PolarHBondContact O-N 2.83Å; I166-G168 PolarHBondContact O-N 2.89Å
167K40.9Very low58.9Low210 Ų210129.6 Ų129.691%0.91366%0.656SS**SBendtrans-68111.9168.9-73.6-176.5175.7-178.30108.1P165P165-K167 PolarHBondContact O-N 3.07Å
168G41.5Very low56.4Low77 Ų77133.1 Ų133.179%0.79468%0.677SS**SBendtrans146.7-43.1170.800000114.6I166 R170I166-G168 PolarHBondContact O-N 2.89Å; G168-R170 PolarHBondContact O-N 3.31Å
169T39.3Very low54.2Low97 Ų97133.5 Ų133.560%0.59568%0.679SS**  trans-88.5107.6-172.954.50000112.5S171T169-S171 PolarHBondContact O-N 2.62Å
170R37.6Very low51.9Low245 Ų245127.8 Ų127.893%0.92568%0.678SS**  trans-56.4124162.4-68.1175.874.6-1773.2108.1G168 S172G168-R170 PolarHBondContact O-N 3.31Å; R170-S172 VanDerWaalsContact C-N 3.32Å; R170-S172 PolarHBondContact O-N 3.2Å
171S38.3Very low49.8Very low94 Ų94125.4 Ų125.466%0.65768%0.677SS**  trans-78.473.4-169.4-46.80000112.7T169T169-S171 PolarHBondContact O-N 2.62Å
172S38.6Very low47.7Very low109 Ų109129.4 Ų129.476%0.76270%0.7SS**  trans-76.6124.2163.8-174.80000109.8R170 S174R170-S172 VanDerWaalsContact C-N 3.32Å; R170-S172 PolarHBondContact O-N 3.2Å; S172-S174 VanDerWaalsContact C-N 3.3Å; S172-S174 PolarHBondContact O-N 2.82Å
173L49Very low45.9Very low162 Ų162127.7 Ų127.785%0.84869%0.694SS**SBendtrans-83.761.1-174.2-79.5164.2000112.2
174S38.9Very low44.4Very low100 Ų100134.4 Ų134.470%0.69972%0.722SS**  trans-14954.9177.4-156.80000115S172S172-S174 VanDerWaalsContact C-N 3.3Å; S172-S174 PolarHBondContact O-N 2.82Å
175S42.3Very low43.1Very low88 Ų88137.9 Ų137.962%0.61573%0.727SS**  trans-15773.3169.5-88.80000113.7K177S175-K177 PolarHBondContact O-N 3.19Å; S175-K177 VanDerWaalsContact O-N 3.16Å
176K53.7Low42.3Very low212 Ų212141.8 Ų141.892%0.92275%0.75SS**THydrogen-bonded Turntrans-61.7-17.1174-67.1178.5179.9174.20113.8
177K43.2Very low41.4Very low199 Ų199140.9 Ų140.987%0.86576%0.755SS**THydrogen-bonded Turntrans-79.7-24.1-171.8-69.2-174.9175.4-178.80115.8S175S175-K177 PolarHBondContact O-N 3.19Å; S175-K177 VanDerWaalsContact O-N 3.16Å
178M35.3Very low41.4Very low149 Ų149138.5 Ų138.573%0.73475%0.752SS**SBendtrans-86.7-18.9-175-72.5-134.3-69.400115.4G180 V181M178-G180 PolarHBondContact O-N 3.19Å; M178-V181 PolarHBondContact O-N 2.96Å
179W39.8Very low41.2Very low113 Ų113142.6 Ų142.643%0.42876%0.755SS.*THydrogen-bonded Turntrans-65-24.5-177.3-99.386.9000114.1E141 L142 M163 V181E141-W179 WeakPolarHBondContact OE2-CZ2 3.32Å; L142-W179 HydrophobicContact CD2-CH2 4.31Å; L142-W179 HydrophobicContact CD2-CZ3 4.12Å; M163-W179 HydrophobicContact CE-CH2 3.63Å; M163-W179 HydrophobicContact CE-CZ2 4.42Å; M163-W179 HydrophobicContact CE-CZ3 4.2Å; M163-W179 HydrophobicContact SD-CH2 4.39Å; W179-V181 VanDerWaalsContact C-N 3.28Å; W179-V181 PolarHBondContact O-N 2.9Å
180G41Very low40.8Very low66 Ų66141 Ų14168%0.6876%0.758SS**THydrogen-bonded Turntrans-68.4-21.4178.400000114.8M178M178-G180 PolarHBondContact O-N 3.19Å
181V45.7Very low40.5Very low115 Ų115140.1 Ų140.170%0.69776%0.756SS**THydrogen-bonded Turntrans-84.6-28.9-174.9-175.40000112.1M178 W179 Q183M178-V181 PolarHBondContact O-N 2.96Å; W179-V181 VanDerWaalsContact C-N 3.28Å; W179-V181 PolarHBondContact O-N 2.9Å; V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 2.84Å
182L42.8Very low40.2Very low140 Ų140140.8 Ų140.873%0.73376%0.761SS**THydrogen-bonded Turntrans-81-6-170.8-134.874.9000114.9
183Q45.1Very low40Very low147 Ų147146.3 Ų146.369%0.68777%0.765SS**THydrogen-bonded Turntrans-81-15.9179.8-73.2-70.3-49.800113.9V181V181-Q183 VanDerWaalsContact C-N 3.33Å; V181-Q183 PolarHBondContact O-N 2.84Å
184K39.6Very low39.2Very low193 Ų193149.4 Ų149.484%0.83977%0.766SS**SBendtrans-105.427.7-163.8-147.1168-174.6174.60115.4
185K39.4Very low38.7Very low196 Ų196149.1 Ų149.185%0.85277%0.769SS**  trans-14346.3-179.8-151.2170.6-175.71750115.8
186T38.9Very low38.3Very low141 Ų141152.7 Ų152.787%0.86578%0.781SS**SBendtrans-130.444.3166.659.40000112.3
187S39.5Very low37.3Very low105 Ų105149.6 Ų149.673%0.73477%0.773SS**SBendtrans-145.239.4178.8660000112.3
188N40.5Very low36.5Very low161 Ų161146.9 Ų146.986%0.86177%0.768SS**  trans-158.988.2170.4-117.3-29.4000111.8
189L36.1Very low36.2Very low162 Ų162148.4 Ų148.485%0.84878%0.778SS**  trans-152.182.6154.1-164.373.7000108.1
190G31.4Very low35.7Very low65 Ų65148.6 Ų148.667%0.6780%0.796SS**  trans-80.6139.2179.700000112.1
191Y30.8Very low35.7Very low225 Ų225150.6 Ų150.688%0.88280%0.797SS**  trans-115.3130.6154.9-91.6-92.2000108
192S33Very low35.3Very low109 Ų109151.1 Ų151.176%0.76280%0.803SS**  trans-94.9174.4-168-51.90000113.8
193R34.5Very low34.6Very low224 Ų224149.1 Ų149.185%0.84580%0.801SS**  trans85.4134.6-178.3-51.7179.4-157.8-106.97.7112.5
194R31.2Very low33.9Very low228 Ų228150.7 Ų150.786%0.8681%0.81SS**  cis-141.6144.34.5-120.7164.6-173.8149.5-3.4109.1
195A29.9Very low33.4Very low94 Ų94146.7 Ų146.778%0.77780%0.802SS**  trans-95.8146.7169.300000110.3
196L33.7Very low33Very low162 Ų162144 Ų14485%0.84880%0.802SS**  trans-131.8102.7165.2-75.4177.7000109.6
197I32.1Very low32.5Very low148 Ų148145.3 Ų145.376%0.75980%0.798SS**  trans34.1110.6142.3-51.6177000118
198N26.4Very low32.2Very low142 Ų142148.3 Ų148.376%0.75980%0.798SS**  trans22.9122.7139.9-56-19.7000120.1
199L29.8Very low32Very low181 Ų181146.4 Ų146.495%0.94879%0.794SS**  -134.5155.3113.9-91.4124.1000109
200S27.9Very low31.7Very low116 Ų116144.3 Ų144.381%0.81178%0.784SS**  trans-113.1168.4-175.7-109.10000112
201P42.6Very low31.5Very low108 Ų108152.5 Ų152.570%0.70180%0.796SS**  trans-101.6177.3-150.740.5-39.1000114.2
202P36.9Very low31.4Very low126 Ų126148.6 Ų148.682%0.81879%0.79SS**  trans-93.5143.4146.334.6-28.4000111.7
203S28.4Very low31.2Very low98 Ų98149.1 Ų149.169%0.68578%0.784SS**  trans-85.7152.5174.5-179.30000111.6
204M28.8Very low30.9Very low180 Ų180143.4 Ų143.489%0.88777%0.77SS**  trans-141136.6144.6-84.4-140.672.800110.6
205V30.2Very low30.6Very low109 Ų109140.9 Ų140.966%0.66177%0.766SS**  trans-105.3132.7179.2174.80000108.9Q207V205-Q207 HydrophobicContact CG1-CG 4.44Å
206V31.3Very low30.5Very low140 Ų140141.1 Ų141.185%0.84876%0.758SS**  trans-133.8138.1156.3-177.40000107.5
207Q27.9Very low30.4Very low169 Ų169140.8 Ų140.879%0.7975%0.751SS**  trans-90156-168.7-62.1155.7-65.100112.2V205V205-Q207 HydrophobicContact CG1-CG 4.44Å
208K32.7Very low30.2Very low167 Ų167140.7 Ų140.773%0.72675%0.748SS**  trans-71151.9147-85.4-177147.8-143.80109.2D210K208-D210 IonicContact NZ-OD1 2.7Å; K208-D210 PolarHBondContact NZ-OD1 2.79Å
209P37Very low30.7Very low121 Ų121141 Ų14179%0.78675%0.748SS**  -125.1155.8118.235.8-32.4000112.1
210D30.2Very low30.9Very low118 Ų118138.3 Ų138.363%0.63174%0.742SS**  trans-89.8151.3172-47.4-84.8000109.8K208K208-D210 IonicContact NZ-OD1 2.7Å; K208-D210 PolarHBondContact NZ-OD1 2.79Å
211Y26.7Very low30.9Very low238 Ų238139.8 Ų139.893%0.93374%0.74SS**  trans-146.1158.9162-138.9-95.5000110.8
212L29.2Very low30.3Very low143 Ų143141.2 Ų141.275%0.74974%0.741SS**  trans-130.9175.1-163.8-118.7172.8000111
213N28.9Very low29.9Very low120 Ų120143 Ų14364%0.64274%0.738SS**  trans72.3150.9165.1-70.237.1000116.5
214D26.9Very low29.9Very low104 Ų104143 Ų14356%0.55673%0.734SS**  cis-156.5-177.31.5-131.3-32.9000115
215F25.7Very low29.9Very low174 Ų174143.4 Ų143.476%0.76373%0.734SS**  trans76.4111.4171.5-58.3-77.8000116
216T28.1Very low29.7Very low100 Ų100143.5 Ų143.561%0.61375%0.746SS**  cis89161.327.882.90000116.4
217H31.6Very low29.5Very low154 Ų154146.4 Ų146.471%0.71374%0.743SS**  trans74.9128-171.9-61.6-53000116.5
218E26.3Very low29.5Very low147 Ų147144.7 Ų144.769%0.68774%0.735SS**  cis-148.1154.4-8.2-97.2-5492.300110.8
219I38.3Very low29.3Very low147 Ų147140.2 Ų140.275%0.75473%0.725SS**  trans-139.5119.6158.9-55.7177.7000109.2N221I219-N221 PolarHBondContact O-N 3.42Å
220P32.8Very low28.7Very low126 Ų126142.1 Ų142.182%0.81873%0.725SS**  trans-65.2104.4165.3-24.236.6000111.8
221N27.9Very low28.5Very low146 Ų146142.6 Ų142.678%0.78173%0.733SS**  trans-78.6-167.3-179.4-176.419.9000112.6I219I219-N221 PolarHBondContact O-N 3.42Å
222I31.3Very low28.5Very low139 Ų139140.7 Ų140.771%0.71373%0.729SS**  trans89.1121.8170.4-61.5175.2000113.1
223Q28.6Very low29.1Very low163 Ų163139 Ų13976%0.76273%0.727SS**  cis-153-179.82.6-133.2176.5-2800115.1
224T26.8Very low28.9Very low97 Ų97139.7 Ų139.760%0.59574%0.735SS**  trans-21.9139.9161.747.40000118.3
225E29Very low28.9Very low189 Ų189143.6 Ų143.688%0.88375%0.75SS**  71.612352.5-64.9-168155.400115.7
226A26.5Very low29Very low111 Ų111140.8 Ų140.892%0.91775%0.752SS**  trans-151.4157.9161.100000108.7
227Y27.2Very low29Very low201 Ų201141.7 Ų141.779%0.78876%0.762SS**  trans-124.5138.9-153.1-179.5-115.4000113.9
228E28.3Very low28.7Very low134 Ų134137.8 Ų137.863%0.62676%0.764SS**  trans74.2151.8153.4-118.1-168.4-148.500124
229S27.4Very low29Very low73 Ų73139 Ų13951%0.5178%0.775SS.*  trans95.5117.1132.5-88.80000123.8
230M24.7Very low28.9Very low160 Ų160137.4 Ų137.479%0.78877%0.774SS**  trans84.1110.7136.2-65.2-171.1-6900123
231T27.2Very low28.7Very low129 Ų129143 Ų14379%0.79178%0.778SS**  trans51.6120.8131.560.40000123.4
232K26.6Very low28.6Very low198 Ų198143.4 Ų143.486%0.86178%0.781SS**  trans-6.4163.2133.9-71.4-176.7178.8-1780118.9
233P41.3Very low28.9Very low108 Ų108142.3 Ų142.370%0.70178%0.783SS**  cis-142.2176.7-28.140.2-23.1000114.5
234T24.2Very low29.1Very low134 Ų134143.4 Ų143.482%0.82279%0.788SS**  trans-174.9129.4150.1-76.70000106.2
235Q27.9Very low29.2Very low185 Ų185146.1 Ų146.186%0.86480%0.799SS**  cis80.282.737.4-75.1-148.914.100117.5
236S27.3Very low29.4Very low115 Ų115145.5 Ų145.580%0.80480%0.801SS**  trans-160143.9140.560.20000107.6
237S28.4Very low29.8Very low119 Ų119149 Ų14983%0.83280%0.8SS**  cis177106.7-16.644.30000103.6
238G23.9Very low30.2Very low73 Ų73145.1 Ų145.175%0.75380%0.797SS**  trans-138.6138.3-176.300000111.3
239L32.6Very low30.4Very low172 Ų172147 Ų14790%0.90181%0.812SS**  trans-145.1156.4176.8-85.2-174.9000109.1
240P37.6Very low30.7Very low114 Ų114148.2 Ų148.274%0.7481%0.812SS**  -126.5177.9-114.843-34.7000114.9
241R27.7Very low31.3Very low242 Ų242145.9 Ų145.991%0.91381%0.809SS**  trans-150.3165.7152.7-115.6174.3-178.1-165.7-2.4111.9
242D27Very low31.8Very low156 Ų156145.4 Ų145.483%0.83480%0.801SS**  trans-71.3161-160.4-86.3-91.9000117.2
243P36.4Very low32.6Very low115 Ų115142.1 Ų142.175%0.74779%0.793SS**  trans-100.5113.2-175.636.4-29.3000113.9
244Q33.4Very low32.6Very low187 Ų187144.6 Ų144.687%0.87480%0.795SS**  trans-136.2168.7158.2-88.5175.7-11.800109.6
245D29.4Very low33.3Very low154 Ų154143.8 Ų143.882%0.82479%0.785SS**  trans60.982.3179.8-62-35.9000118.5
246L33.1Very low33.9Very low176 Ų176139.2 Ų139.292%0.92177%0.774SS**  trans-147.273.4152-83.1-172.2000112.3
247M33.9Very low34.6Very low183 Ų183138.5 Ų138.590%0.90176%0.764SS**  trans-150.3157.4158.2-80.2-154.673.300112.2
248V35.9Very low35.2Very low121 Ų121138.2 Ų138.273%0.73375%0.753SS**  trans8971.2172.2-161.90000116.8N250V248-N250 HydrophobicContact CG1-CB 3.96Å
249D31.4Very low35.9Very low173 Ų173138.1 Ų138.193%0.92575%0.745SS**  trans-88.6109.2137.6-86.7-62.8000108.3
250N35.2Very low36.4Very low99 Ų99132.8 Ų132.853%0.52973%0.732SS.*  trans-113.1118.7177.5-178.6-2.5000109.8V248 L252V248-N250 HydrophobicContact CG1-CB 3.96Å; N250-L252 PolarHBondContact O-N 3.35Å; N250-L252 PolarHBondContact OD1-N 3.49Å
251P37.6Very low36.5Very low110 Ų110134.7 Ų134.771%0.71473%0.731SS**THydrogen-bonded Turntrans-65.8-7.3-171.825.5-35.5000115.7N253P251-N253 VanDerWaalsContact C-N 3.35Å; P251-N253 PolarHBondContact O-N 3.36Å
252L37.1Very low36.9Very low119 Ų119130.7 Ų130.762%0.62373%0.727SS**THydrogen-bonded Turntrans-67.3-28-177.6-118.967.3000114.7N250 Q254 L255N250-L252 PolarHBondContact O-N 3.35Å; N250-L252 PolarHBondContact OD1-N 3.49Å; L252-Q254 PolarHBondContact O-N 3.02Å; L252-L255 PolarHBondContact O-N 2.84Å
253N42.7Very low37.3Very low130 Ų130128.2 Ų128.270%0.69572%0.722SS**Hα-helixtrans-69.1-15.7-173.5-98.7-4.9000114.8P251P251-N253 VanDerWaalsContact C-N 3.35Å; P251-N253 PolarHBondContact O-N 3.36Å
254Q41.9Very low37.4Very low159 Ų159128 Ų12874%0.74372%0.723SS**Hα-helixtrans-80.5-17.1179.2-63.9-166.81.800113.7L252L252-Q254 PolarHBondContact O-N 3.02Å
255L38.4Very low37.4Very low118 Ų118127 Ų12762%0.61872%0.723SS**Hα-helixtrans-80.5-37.3179.5-70.7171.1000112.5L252 T257 L258 A259L252-L255 PolarHBondContact O-N 2.84Å; L255-T257 PolarHBondContact O-N 3.39Å; L255-L258 PolarHBondContact O-N 2.9Å; L255-L258 VanDerWaalsContact O-N 3.14Å; L255-A259 PolarHBondContact O-N 3.44Å
256S40.8Very low37.8Very low89 Ų89125.2 Ų125.262%0.62272%0.719SS**Hα-helixtrans-59.9-31.7176.8-56.50000112.9L258S256-L258 VanDerWaalsContact C-N 3.34Å
257T42.2Very low38.2Very low99 Ų99122.7 Ų122.761%0.60771%0.714SS**Hα-helixtrans-71.8-25.5179-48.10000113.2L255L255-T257 PolarHBondContact O-N 3.39Å
258L40.3Very low38Very low114 Ų114123.7 Ų123.760%0.59772%0.716SS**Hα-helixtrans-89.2-30.8179-70.2170000112.7L255 S256 G260 Q261L255-L258 PolarHBondContact O-N 2.9Å; L255-L258 VanDerWaalsContact O-N 3.14Å; S256-L258 VanDerWaalsContact C-N 3.34Å; L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.47Å; L258-Q261 PolarHBondContact O-N 2.78Å
259A39.4Very low37.8Very low70 Ų70124.6 Ų124.658%0.57972%0.717SS**Hα-helixtrans-61.4-32177.800000113.2L255 Q261L255-A259 PolarHBondContact O-N 3.44Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 2.7Å
260G42.4Very low37.8Very low61 Ų61125.5 Ų125.563%0.62972%0.715SS**THydrogen-bonded Turntrans-73.7-4.6-177.300000116.4L258L258-G260 VanDerWaalsContact C-N 3.25Å; L258-G260 PolarHBondContact O-N 3.47Å
261Q40.8Very low37.5Very low153 Ų153128 Ų12872%0.71573%0.729SS**THydrogen-bonded Turntrans-102.12.3-173.1-63.4-168.8-3.600114.9L258 A259L258-Q261 PolarHBondContact O-N 2.78Å; A259-Q261 VanDerWaalsContact C-N 3.27Å; A259-Q261 PolarHBondContact O-N 2.7Å
262L34.8Very low37.8Very low158 Ų158128.2 Ų128.283%0.82773%0.73SS**SBendtrans-1073-176.7-66.5176.2000114.8
263S36.4Very low37.2Very low104 Ų104127 Ų12773%0.72774%0.737SS**SBendtrans-98.526.2-171.1-53.70000115.4
264S39.1Very low36.6Very low110 Ų110126.3 Ų126.377%0.76974%0.742SS**  trans-143.862-169.6-62.70000115.7
265L33.3Very low36.8Very low168 Ų168123.9 Ų123.988%0.8874%0.74SS**  trans-141.2142.8155.4-75.8-179.2000110.5
266P37.3Very low36.3Very low115 Ų115125.8 Ų125.875%0.74775%0.751SS**  trans-87.3162.4-177.135.8-36.1000113.3
267P42Very low35.7Very low124 Ų124127.4 Ų127.481%0.80576%0.757SS**  trans-91.8144176.735.5-32.9000113
268E29.3Very low35.2Very low204 Ų204129.9 Ų129.995%0.95377%0.772SS**  trans-125.5158157.6-84.2-16188.100110.9
269N31.5Very low34.6Very low139 Ų139129.2 Ų129.274%0.74378%0.777SS**  trans-149.1114-161.2168.427.1000110.1
270Q31.1Very low33.8Very low193 Ų193131.3 Ų131.390%0.90279%0.786SS**  trans179150.6145.3-99.7150.4109.300112.6
271N29.3Very low33.1Very low151 Ų151136.8 Ų136.881%0.80780%0.795SS**  trans-125.6156.5159.7-148.713.8000104
272P43.4Very low32.6Very low115 Ų115136.2 Ų136.275%0.74780%0.797SS**  -152.8-169.351.642.4-20.3000117
273A25.4Very low32.3Very low93 Ų93136.4 Ų136.477%0.76979%0.794SS**  trans107.7134.314700000119.2
274S30.3Very low32.1Very low115 Ų115139.8 Ų139.880%0.80480%0.795SS**  trans-86.3-174.5172.3-17.10000110.5
275P46.2Very low31.8Very low108 Ų108140.5 Ų140.570%0.70180%0.797SS**  cis-136.2-17923.145.6-28.2000115.6
276D27.1Very low31.3Very low159 Ų159142.8 Ų142.885%0.8580%0.801SS**  -170169.4105.3-117-37.8000113.5
277V29Very low31Very low123 Ų123145 Ų14575%0.74580%0.803SS**  trans-125.6127.8-170.3177.90000112.8
278V30Very low30.5Very low151 Ų151147.5 Ų147.592%0.91581%0.808SS**  trans-138.1146.7160.6-176.60000109.2
279S27.8Very low30.6Very low100 Ų100146.1 Ų146.170%0.69980%0.801SS**  trans-129.9150.5-175.9178.90000110.9
280C23.6Very low30.6Very low114 Ų114148.3 Ų148.377%0.7781%0.807SS**  trans-177.6114.7139.7-1050000114.7
281Q27.9Very low30.9Very low175 Ų175145.5 Ų145.582%0.81881%0.805SS**  trans50.9146.7132.3-67.2-176.1-1800125.3
282D29.6Very low30.9Very low142 Ų142143 Ų14376%0.75981%0.806SS**  trans-21.3148170.3-63.9-104.6000122.9
283E29.8Very low30.3Very low161 Ų161142.3 Ų142.375%0.75281%0.81SS**  -160.3168.5110.1-106.1-71.576.800111.5
284K31.6Very low31Very low175 Ų175143.9 Ų143.976%0.76181%0.812SS**PPolyproline II helixtrans-81.2147.9-163.6-65.3168.9-173.9122.80116.9
285P31.5Very low31.1Very low126 Ų126142.8 Ų142.882%0.81881%0.81SS**PPolyproline II helixtrans-81.8155.6161.534.7-34.1000113
286F24.6Very low30.3Very low215 Ų215144.1 Ų144.194%0.94382%0.816SS**PPolyproline II helixtrans-97155.6-176.3-137.2-96.9000113.4
287M31.1Very low30.4Very low162 Ų162143.3 Ų143.380%0.79882%0.816SS**PPolyproline II helixtrans-96.5143.1-174.1-78.9-83.3175.800114
288I30.2Very low30.5Very low176 Ų176143.1 Ų143.190%0.90382%0.82SS**  trans-134.7144.7150.2-63.4-175000107.7
289Q31.4Very low30.4Very low176 Ų176140.3 Ų140.382%0.82281%0.813SS**  trans-127147.7-156-165.8168.740.800113.1
290Q31Very low30.5Very low185 Ų185142.1 Ų142.186%0.86482%0.82SS**  trans-118.3138.6164.5-76.4-173-18.600109.9
291P37.8Very low30.9Very low133 Ų133141.5 Ų141.586%0.86482%0.817SS**  trans-86.3145.3177.333.8-33.6000112.4
292A29Very low30.8Very low100 Ų100140.1 Ų140.183%0.82682%0.821SS**  trans-108.8160.717300000111.6
293A31.9Very low30.8Very low99 Ų99138.7 Ų138.782%0.81882%0.822SS**  trans-81.9145.7177.700000112.4
294P40.8Very low30.9Very low127 Ų127138.7 Ų138.783%0.82583%0.825SS**  trans-96149.8175.136.6-33.3000113
295A31.1Very low31.9Very low92 Ų92135.5 Ų135.576%0.7682%0.822SS**  trans-157.5123.316200000110.5
296V29.4Very low31.9Very low135 Ų135138.5 Ų138.582%0.81883%0.825SS**  trans-174.4123.3148.3-98.30000112.9
297V30.2Very low32.1Very low142 Ų142133.5 Ų133.586%0.86182%0.817SS**  trans56.2171.8144.2-45.50000122.6
298S30.1Very low32.1Very low119 Ų119131.7 Ų131.783%0.83282%0.82SS**  trans-128157.7-156.7-36.80000113.8
299A28.5Very low32.1Very low93 Ų93128.6 Ų128.677%0.76981%0.814SS**  trans-178.212913500000115.3
300V30.1Very low32.9Very low138 Ų138125.6 Ų125.684%0.83681%0.81SS**  24.2141.4123.6176.80000119.8
301S31.1Very low32.7Very low100 Ų100123.4 Ų123.470%0.69981%0.809SS**  cis-177.1149.9-17.6-86.90000110.9
302T25.9Very low32.3Very low147 Ų147122.1 Ų122.190%0.90280%0.804SS**  trans177.3156.5154.215.10000108.7
303S30.4Very low33.3Very low112 Ų112123.2 Ų123.278%0.78380%0.802SS**  cis-148.5-165.2-0.952.90000111.6
304I32.2Very low33.3Very low160 Ų160125.1 Ų125.182%0.82180%0.799SS**  trans-147.6160.2-149.1-76.1158.4000109.9
305P52.4Low33.7Very low108 Ų108124.9 Ų124.970%0.70180%0.797SS**  cis-131.1-173.12.337.9-18.7000115.9
306Q30.3Very low33.7Very low189 Ų189131.1 Ų131.188%0.88380%0.801SS**  -178.9176.1116.6-93.6-16720.100114.3
307S29.3Very low34.4Very low111 Ų111129.8 Ų129.878%0.77680%0.795SS**  trans-153.6147.8-150.257.70000117.1
308S30.2Very low34.5Very low123 Ų123129 Ų12986%0.8679%0.791SS**  trans-175.1165.2145.249.50000114.3
309S30.4Very low34.7Very low111 Ų111130.6 Ų130.678%0.77679%0.785SS**  trans-125.8-163.6175.5-48.60000108.2
310P49.1Very low34.7Very low114 Ų114132.7 Ų132.774%0.7478%0.783SS**  cis-146.1-164.62.735.3-9.7000117
311T27Very low34.7Very low138 Ų138131.1 Ų131.185%0.84777%0.767SS**  trans107.4145.9146.2-24.20000119.7
312S29.6Very low34.6Very low106 Ų106135.3 Ų135.374%0.74177%0.767SS**  trans-109.6176.2-178.6-142.10000110.7
313P50.2Low34.7Very low123 Ų123133.5 Ų133.580%0.79975%0.752SS**  -151.6-174.762.341.4-19000118.2
314D31.3Very low34.6Very low140 Ų140137.7 Ų137.775%0.74975%0.752SS**  trans-63.6170.1170.9-120.9-45000113.7
315P48.4Very low34.8Very low122 Ų122135.1 Ų135.179%0.79275%0.749SS**  -146.1167.452.140.4-19.1000120.4
316R31Very low34.4Very low223 Ų223135.5 Ų135.584%0.84275%0.751SS**  trans-56165.8166.1-125.9-177.8-171.5-172.65.5115.2
317P45.1Very low34.4Very low107 Ų107133 Ų13370%0.69575%0.748SS**  -157.6161.37743-23.2000120
318T31.8Very low34.4Very low125 Ų125132.3 Ų132.377%0.76775%0.749SS**  trans56.9155.7144.350.50000122.7
319H34.1Very low34.2Very low153 Ų153130 Ų13071%0.70875%0.745SS**  cis-170.9140.8-17.6165.1-73.9000110.8Q321H319-Q321 PolarHBondContact NE2-NE2 2.79Å
320N28.9Very low35Very low136 Ų136130.3 Ų130.373%0.72775%0.745SS**  trans148.3114.6158.7-86.1-34.1000107
321Q30Very low34.1Very low106 Ų106130.4 Ų130.450%0.49575%0.748SS.*  cis65.313040.7-60.9-151.686.200114.8H319H319-Q321 PolarHBondContact NE2-NE2 2.79Å
322R29.5Very low34.4Very low187 Ų187128.4 Ų128.471%0.70674%0.739SS**  cis-162.4160.4-12.8-123.6-172.2-177.5145.4-12.9110.6
323N26.9Very low34.4Very low110 Ų110130.4 Ų130.459%0.58874%0.742SS**  trans14.6147.4144.5-51.38.2000119.7
324Y28.1Very low33.6Very low199 Ų199134.3 Ų134.378%0.7874%0.741SS**  -167.8157.558.1-91.6-82.3000114.4
325S36.3Very low33.6Very low107 Ų107132.4 Ų132.475%0.74874%0.738SS**  trans-103.5159147.2-40.50000108
326P45.5Very low32.9Very low115 Ų115129.9 Ų129.975%0.74773%0.728SS**  -162.9177.978.443.5-21.9000119.4
327V30.5Very low33.2Very low136 Ų136128 Ų12882%0.82473%0.728SS**  trans75.1119.4138.3157.30000124.4
328A29.2Very low32.4Very low97 Ų97129.6 Ų129.680%0.80274%0.736SS**  trans56.6122.6137.800000127.2
329G25.8Very low32.4Very low75 Ų75128.4 Ų128.477%0.77373%0.733SS**  trans79.6171.8130.300000120.1
330P46.1Very low32.1Very low118 Ų118127.6 Ų127.677%0.76674%0.739SS**  cis-135.2166.5-6.442.6-27.1000116.8
331S30.6Very low32.8Very low115 Ų115127 Ų12780%0.80474%0.742SS**  trans52.5165151.9-45.20000121.3
332S33.6Very low32.8Very low96 Ų96127.5 Ų127.567%0.67176%0.757SS**  cis-150.615910.6-48.20000113.6
333D29.9Very low32.9Very low148 Ų148126.8 Ų126.879%0.79177%0.766SS**  trans61.8147.4145.6-65.2-33.8000122.2
334R32.6Very low33Very low206 Ų206126.4 Ų126.478%0.77777%0.772SS**  cis-159.8146.8-2.9-128.7175.471-157.32.5112.7
335S32.1Very low33.1Very low100 Ų100124.8 Ų124.870%0.69978%0.777SS**  trans59.6148.5146.2-65.70000120.7
336A32.6Very low33.1Very low69 Ų69125.4 Ų125.457%0.5778%0.781SS**  cis-168.8140.8-2.300000113.7
337H37.2Very low32.6Very low182 Ų182128.2 Ų128.284%0.84378%0.784SS**  trans54.7156.2150.8-44.8-50.7000120.1
338T29.3Very low33Very low141 Ų141127.8 Ų127.887%0.86578%0.784SS**  cis-130.2178.84.242.50000111.8
339S30.9Very low33.1Very low101 Ų101127.6 Ų127.671%0.70678%0.777SS**  trans-128.3145.6-162.5-47.50000116.3
340T27.8Very low33.7Very low136 Ų136130.3 Ų130.383%0.83478%0.779SS**  trans64.8167.3143.550.60000120
341P43.9Very low33.4Very low123 Ų123130.6 Ų130.680%0.79978%0.781SS**  cis-125.1180-2.332.9-12.7000115.9
342S30.1Very low33.4Very low116 Ų116129.3 Ų129.381%0.81178%0.777SS**  trans-92.1159.4-179.7-37.10000114.2
343I31Very low33.5Very low172 Ų172130.9 Ų130.988%0.88279%0.785SS**  trans-133.9137.4152.5-61.9-177.6000109.1
344S30.8Very low33.7Very low102 Ų102130.1 Ų130.171%0.71379%0.786SS**  trans-114.1149.3175.155.80000111.2
345N30Very low33.9Very low166 Ų166127.6 Ų127.689%0.88879%0.787SS**  trans-161.2161.6149.2-108.8-23000112.8
346S34.8Very low34.2Very low120 Ų120128.7 Ų128.784%0.83979%0.792SS**  trans-112.5164.3-165.4-60.80000114.7
347Q35Very low34.7Very low174 Ų174131.5 Ų131.581%0.81380%0.802SS**  trans-49.8160.8172.6-96.8175.3-18.800115.6
348P39.5Very low34.9Very low126 Ų126131.6 Ų131.682%0.81880%0.802SS**  -147.5-177.958.540.2-18.4000119.8
349S31.1Very low35.2Very low93 Ų93131 Ų13165%0.6579%0.794SS**  trans-76176.8-170.5-44.10000115
350T38.4Very low36Very low133 Ų133131.5 Ų131.582%0.81679%0.794SS**  cis-155-157.545.257.30000112.2
351P41.3Very low37Very low123 Ų123132.5 Ų132.580%0.79979%0.79SS**  -127.8178.5-112.637.8-15.4000117.4
352A29Very low37.5Very low89 Ų89133.4 Ų133.474%0.73679%0.787SS**  trans-113.9162.6168.400000110.7
353P36.5Very low38.8Very low129 Ų129132.9 Ų132.984%0.83878%0.775SS**PPolyproline II helixtrans-79.2156-157.330.1-36000116.5
354T34.3Very low40.5Very low131 Ų131128.5 Ų128.580%0.80475%0.75SS**PPolyproline II helixtrans-78.3136.9-171.7-45.90000114.1
355L37.2Very low41.8Very low154 Ų154126.1 Ų126.181%0.80673%0.728SS**PPolyproline II helixtrans-102150.7157.6-72.9177.9000110
356P38.6Very low43.3Very low123 Ų123118.2 Ų118.280%0.79969%0.686SS**PPolyproline II helixtrans-67.5134.9-169.526.5-35000113
357V43Very low43.9Very low128 Ų128120.4 Ų120.478%0.77668%0.683SS**PPolyproline II helixtrans-71.9133.7178177.20000110.7
358Q41.2Very low44.4Very low184 Ų184119.6 Ų119.686%0.8668%0.678SS**  trans-113.6142.3152.4-69.6-170.6-800108.5P360Q358-P360 WeakPolarHBondContact O-CD 3.47Å
359D34.9Very low45.2Very low129 Ų129116.2 Ų116.269%0.6966%0.657SS**  trans-82.7121.4-161-164.4-19.8000112.8Q361D359-Q361 VanDerWaalsContact C-N 3.3Å; D359-Q361 PolarHBondContact O-N 3.44Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.46Å; D359-Q361 WeakPolarHBondContact OD1-CG 3.45Å; D359-Q361 PolarHBondContact OD1-N 3.07Å
360P47.5Very low46.3Very low110 Ų110117.1 Ų117.171%0.71466%0.655SS**  trans-74.8-4.1-177.4-18.833.5000116.6Q358 L362Q358-P360 WeakPolarHBondContact O-CD 3.47Å; P360-L362 VanDerWaalsContact C-N 3.34Å; P360-L362 PolarHBondContact O-N 2.91Å; P360-L362 VanDerWaalsContact O-N 3.07Å
361Q49.6Very low47.4Very low157 Ų157115.4 Ų115.473%0.73464%0.639SS**THydrogen-bonded Turntrans-77.512.4-156.3-72.7-72.8-900118.4D359D359-Q361 VanDerWaalsContact C-N 3.3Å; D359-Q361 PolarHBondContact O-N 3.44Å; D359-Q361 WeakPolarHBondContact OD1-CB 3.46Å; D359-Q361 WeakPolarHBondContact OD1-CG 3.45Å; D359-Q361 PolarHBondContact OD1-N 3.07Å
362L54.8Low48.7Very low143 Ų143116.2 Ų116.275%0.74963%0.627SS**THydrogen-bonded Turntrans-133.934.9-171.9-75.6175.9000116.5P360P360-L362 VanDerWaalsContact C-N 3.34Å; P360-L362 PolarHBondContact O-N 2.91Å; P360-L362 VanDerWaalsContact O-N 3.07Å
363L56.9Low51Low104 Ų104113.6 Ų113.655%0.54560%0.599SS.*  trans-128.6128.8162.5-74.294.5000112.7Y372 F373 A374L363-Y372 HydrophobicContact CB-CD1 4.43Å; L363-F373 CarbonylContact C-O 3.37Å; L363-F373 WeakPolarHBondContact CA-O 3.45Å; L363-A374 HydrophobicContact CG-CB 4.46Å
364H65.4Low52.4Low81 Ų81111 Ų11138%0.37559%0.588SS.*EExtended strand (participates in β ladder)trans-83.7120.4174.2-63.1-86.8000110.2Y372 F373 N376 Y379H364-Y372 CarbonylContact O-C 3.58Å; H364-Y372 WeakPolarHBondContact O-CA 3.18Å; H364-F373 PolarHBondContact N-O 3.07Å; H364-F373 PolarHBondContact O-N 3.35Å; H364-N376 PolarHBondContact NE2-ND2 3.44Å; H364-N376 PolarHBondContact NE2-OD1 3.03Å; H364-Y379 HydrophobicContact CB-CD1 3.82Å; H364-Y379 HydrophobicContact CB-CD2 3.63Å; H364-Y379 HydrophobicContact CB-CE1 4.3Å; H364-Y379 HydrophobicContact CB-CE2 4.13Å; H364-Y379 HydrophobicContact CB-CG 3.46Å; H364-Y379 VanDerWaalsContact CB-CG 3.46Å
365H59.5Low54.1Low51 Ų51109.2 Ų109.224%0.23657%0.574CS.*EExtended strand (participates in β ladder)trans-99129.5-174.8166.773.4000112Q367 D370 Y372H365-Q367 WeakPolarHBondContact NE2-CG 3.48Å; H365-D370 IonicContact CE1-OD1 2.71Å; H365-D370 PolarHBondContact CE1-OD1 3.39Å; H365-D370 IonicContact NE2-OD1 3.83Å; H365-Y372 HydrophobicContact CB-CD1 3.72Å; H365-Y372 HydrophobicContact CB-CE1 3.62Å; H365-Y372 HydrophobicContact CB-CG 4.42Å; H365-Y372 AromaticContact CE1-CZ 3.85Å; H365-Y372 AromaticContact CG-CE1 3.74Å; H365-Y372 AromaticContact CG-CZ 3.87Å; H365-Y372 AromaticContact ND1-CD1 3.97Å; H365-Y372 AromaticContact ND1-CD2 3.88Å; H365-Y372 AromaticContact ND1-CE1 3.48Å; H365-Y372 WeakPolarHBondContact ND1-CE1 3.47Å; H365-Y372 AromaticContact ND1-CE2 3.36Å; H365-Y372 WeakPolarHBondContact ND1-CE2 3.17Å; H365-Y372 AromaticContact ND1-CZ 3.15Å; H365-Y372 PolarHBondContact ND1-OH 2.96Å
366C60.1Low55.2Low1 Ų1106.2 Ų106.21%0.00756%0.559CS.*EExtended strand (participates in β ladder)trans-93.7102.7175.3173.20000111.2H368 C369 D370 M371 F373 Y379 M383C366-H368 PolarHBondContact O-N 3.02Å; C366-H368 VanDerWaalsContact O-N 3.08Å; C366-C369 PolarHBondContact O-N 3.48Å; C366-D370 VanDerWaalsContact O-CA 3.25Å; C366-D370 WeakPolarHBondContact O-CA 3.24Å; C366-D370 PolarHBondContact O-N 2.95Å; C366-M371 HydrophobicContact CB-CB 4.35Å; C366-M371 WeakPolarHBondContact CB-O 3.48Å; C366-M371 PolarHBondContact N-O 3.41Å; C366-M371 PolarHBondContact O-N 2.77Å; C366-F373 HydrophobicContact CB-CE2 4.15Å; C366-Y379 HydrophobicContact CB-CE2 4.29Å; C366-M383 HydrophobicContact CB-CE 3.87Å; C366-M383 WeakPolarHBondContact SG-CE 3.18Å
367Q47.8Very low56.4Low166 Ų166106.2 Ų106.278%0.77655%0.551SS**THydrogen-bonded Turntrans-66.4-5.6175.6-67.4177.5-16.600114.6H365H365-Q367 WeakPolarHBondContact NE2-CG 3.48Å
368H46.5Very low57.3Low156 Ų156104.7 Ų104.772%0.72254%0.537SS*.THydrogen-bonded Turntrans-88.8-15.4175.9-73.5-66.7000113.7C366C366-H368 PolarHBondContact O-N 3.02Å; C366-H368 VanDerWaalsContact O-N 3.08Å
369C56.6Low58.6Low55 Ų5598.6 Ų98.637%0.37251%0.507SS..THydrogen-bonded Turntrans-157.326.2176.966.60000113.8C366 M371 H382C366-C369 PolarHBondContact O-N 3.48Å; C369-M371 PolarHBondContact O-N 2.93Å; C369-H382 PolarHBondContact SG-NE2 3.11Å; C369-H382 VanDerWaalsContact SG-NE2 3.37Å
370D52.8Low59.8Low113 Ų11395.6 Ų95.660%0.60449%0.493SS*.THydrogen-bonded Turntrans44.129-177.1-72.3-10.5000116.7H365 C366 Y372H365-D370 IonicContact CE1-OD1 2.71Å; H365-D370 PolarHBondContact CE1-OD1 3.39Å; H365-D370 IonicContact NE2-OD1 3.83Å; C366-D370 VanDerWaalsContact O-CA 3.25Å; C366-D370 WeakPolarHBondContact O-CA 3.24Å; C366-D370 PolarHBondContact O-N 2.95Å; D370-Y372 VanDerWaalsContact O-CD2 3.26Å; D370-Y372 WeakPolarHBondContact O-CD2 3.38Å; D370-Y372 WeakPolarHBondContact O-CE2 3.4Å
371M61.3Low60.6Low96 Ų9695.4 Ų95.447%0.47349%0.485SS..EExtended strand (participates in β ladder)trans-92.5131.2-174.8-160.864.855.700111.4C366 C369 F373C366-M371 HydrophobicContact CB-CB 4.35Å; C366-M371 WeakPolarHBondContact CB-O 3.48Å; C366-M371 PolarHBondContact N-O 3.41Å; C366-M371 PolarHBondContact O-N 2.77Å; C369-M371 PolarHBondContact O-N 2.93Å; M371-F373 HydrophobicContact CB-CE2 3.7Å; M371-F373 HydrophobicContact CB-CZ 3.94Å; M371-F373 HydrophobicContact CG-CE1 4.26Å; M371-F373 HydrophobicContact CG-CE2 3.67Å; M371-F373 HydrophobicContact CG-CZ 3.46Å; M371-F373 VanDerWaalsContact CG-CZ 3.46Å; M371-F373 WeakPolarHBondContact O-CD2 3.11Å; M371-F373 WeakPolarHBondContact O-CE2 3.45Å
372Y69.6Low61.3Low141 Ų14189.9 Ų89.955%0.55346%0.46SS*.EExtended strand (participates in β ladder)trans-106.4136.7-177.1-66.8-104.2000111.6L363 H364 H365 D370L363-Y372 HydrophobicContact CB-CD1 4.43Å; H364-Y372 CarbonylContact O-C 3.58Å; H364-Y372 WeakPolarHBondContact O-CA 3.18Å; H365-Y372 HydrophobicContact CB-CD1 3.72Å; H365-Y372 HydrophobicContact CB-CE1 3.62Å; H365-Y372 HydrophobicContact CB-CG 4.42Å; H365-Y372 AromaticContact CE1-CZ 3.85Å; H365-Y372 AromaticContact CG-CE1 3.74Å; H365-Y372 AromaticContact CG-CZ 3.87Å; H365-Y372 AromaticContact ND1-CD1 3.97Å; H365-Y372 AromaticContact ND1-CD2 3.88Å; H365-Y372 AromaticContact ND1-CE1 3.48Å; H365-Y372 WeakPolarHBondContact ND1-CE1 3.47Å; H365-Y372 AromaticContact ND1-CE2 3.36Å; H365-Y372 WeakPolarHBondContact ND1-CE2 3.17Å; H365-Y372 AromaticContact ND1-CZ 3.15Å; H365-Y372 PolarHBondContact ND1-OH 2.96Å; D370-Y372 VanDerWaalsContact O-CD2 3.26Å; D370-Y372 WeakPolarHBondContact O-CD2 3.38Å; D370-Y372 WeakPolarHBondContact O-CE2 3.4Å
373F76.3Confident61.6Low33 Ų3386 Ų8615%0.14544%0.438CS..EExtended strand (participates in β ladder)trans-130.2120.6-173-62.2-89.7000112.1L363 H364 C366 M371 D375 L378 Y379 H382L363-F373 CarbonylContact C-O 3.37Å; L363-F373 WeakPolarHBondContact CA-O 3.45Å; H364-F373 PolarHBondContact N-O 3.07Å; H364-F373 PolarHBondContact O-N 3.35Å; C366-F373 HydrophobicContact CB-CE2 4.15Å; M371-F373 HydrophobicContact CB-CE2 3.7Å; M371-F373 HydrophobicContact CB-CZ 3.94Å; M371-F373 HydrophobicContact CG-CE1 4.26Å; M371-F373 HydrophobicContact CG-CE2 3.67Å; M371-F373 HydrophobicContact CG-CZ 3.46Å; M371-F373 VanDerWaalsContact CG-CZ 3.46Å; M371-F373 WeakPolarHBondContact O-CD2 3.11Å; M371-F373 WeakPolarHBondContact O-CE2 3.45Å; F373-D375 VanDerWaalsContact C-N 3.27Å; F373-D375 PolarHBondContact O-N 3.31Å; F373-L378 HydrophobicContact CD1-CB 4.24Å; F373-Y379 AromaticContact CD2-CD2 3.85Å; F373-Y379 HydrophobicContact CD2-CD2 3.85Å; F373-Y379 HydrophobicContact CE2-CD2 4.47Å; F373-H382 HydrophobicContact CE1-CB 4.15Å; F373-H382 HydrophobicContact CE2-CB 4.33Å; F373-H382 AromaticContact CE2-CD2 3.35Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.43Å; F373-H382 AromaticContact CE2-CG 3.84Å; F373-H382 AromaticContact CE2-NE2 3.76Å; F373-H382 HydrophobicContact CZ-CB 3.84Å; F373-H382 AromaticContact CZ-CD2 3.31Å; F373-H382 WeakPolarHBondContact CZ-CD2 3.49Å; F373-H382 AromaticContact CZ-CE1 3.77Å; F373-H382 AromaticContact CZ-CG 3.34Å; F373-H382 AromaticContact CZ-ND1 3.63Å; F373-H382 AromaticContact CZ-NE2 3.6Å
374A67.4Low61.7Low74 Ų7483.5 Ų83.561%0.61244%0.438SS*.SBendtrans-67.9-24.717400000113.5L363L363-A374 HydrophobicContact CG-CB 4.46Å
375D69.7Low61.2Low94 Ų9483.7 Ų83.750%0.50345%0.447SS..  trans-105117.7-177.7-81.4-52.4000112.4F373 I377 L378 Y379F373-D375 VanDerWaalsContact C-N 3.27Å; F373-D375 PolarHBondContact O-N 3.31Å; D375-I377 PolarHBondContact O-N 3.26Å; D375-I377 VanDerWaalsContact O-N 3.11Å; D375-L378 HydrophobicContact CB-CB 3.99Å; D375-L378 HydrophobicContact CB-CD1 3.79Å; D375-L378 HydrophobicContact CB-CG 4.32Å; D375-L378 PolarHBondContact O-N 3.29Å; D375-Y379 PolarHBondContact O-N 3.47Å
376N59.1Low60.7Low92 Ų9285.9 Ų85.949%0.49246%0.457SS..Hα-helixtrans-46.5-39.6169.5-104.6-63.7000113.1H364 T380H364-N376 PolarHBondContact NE2-ND2 3.44Å; H364-N376 PolarHBondContact NE2-OD1 3.03Å; N376-T380 WeakPolarHBondContact O-CB 3.28Å; N376-T380 PolarHBondContact O-N 3.17Å; N376-T380 PolarHBondContact O-OG1 2.68Å
377I65.3Low59.9Low123 Ų12387.6 Ų87.663%0.63148%0.476SS*.Hα-helixtrans-70.5-41.2-178.3-61.3175.5000110.7D375 T380 I381D375-I377 PolarHBondContact O-N 3.26Å; D375-I377 VanDerWaalsContact O-N 3.11Å; I377-T380 PolarHBondContact O-N 3.19Å; I377-I381 HydrophobicContact CG2-CD1 3.91Å; I377-I381 WeakPolarHBondContact O-CB 3.16Å; I377-I381 WeakPolarHBondContact O-CD1 3.45Å; I377-I381 VanDerWaalsContact O-CG1 3.24Å; I377-I381 WeakPolarHBondContact O-CG1 3.42Å; I377-I381 PolarHBondContact O-N 3.28Å
378L61.4Low59.6Low95 Ų9589.4 Ų89.450%0.49748%0.481SS..Hα-helixtrans-69.9-40.5176.7-85.868.4000110.8F373 D375 T380 I381 H382F373-L378 HydrophobicContact CD1-CB 4.24Å; D375-L378 HydrophobicContact CB-CB 3.99Å; D375-L378 HydrophobicContact CB-CD1 3.79Å; D375-L378 HydrophobicContact CB-CG 4.32Å; D375-L378 PolarHBondContact O-N 3.29Å; L378-T380 PolarHBondContact O-N 2.79Å; L378-I381 PolarHBondContact O-N 3.22Å; L378-H382 VanDerWaalsContact O-CB 3.23Å; L378-H382 WeakPolarHBondContact O-CB 3.35Å; L378-H382 PolarHBondContact O-N 3.46Å
379Y67.6Low59.5Low57 Ų5790.6 Ų90.622%0.22449%0.487CS..Hα-helixtrans-56.5-48.3172.4178.8-111.6000111.9H364 C366 F373 D375 I381 H382 M383H364-Y379 HydrophobicContact CB-CD1 3.82Å; H364-Y379 HydrophobicContact CB-CD2 3.63Å; H364-Y379 HydrophobicContact CB-CE1 4.3Å; H364-Y379 HydrophobicContact CB-CE2 4.13Å; H364-Y379 HydrophobicContact CB-CG 3.46Å; H364-Y379 VanDerWaalsContact CB-CG 3.46Å; C366-Y379 HydrophobicContact CB-CE2 4.29Å; F373-Y379 AromaticContact CD2-CD2 3.85Å; F373-Y379 HydrophobicContact CD2-CD2 3.85Å; F373-Y379 HydrophobicContact CE2-CD2 4.47Å; D375-Y379 PolarHBondContact O-N 3.47Å; Y379-I381 PolarHBondContact O-N 2.83Å; Y379-H382 PolarHBondContact O-N 3.33Å; Y379-M383 HydrophobicContact CE1-CG 4.24Å; Y379-M383 HydrophobicContact CE2-CE 4.38Å; Y379-M383 HydrophobicContact CE2-CG 4.2Å; Y379-M383 HydrophobicContact CE2-SD 4.41Å; Y379-M383 WeakPolarHBondContact O-CG 3.42Å; Y379-M383 PolarHBondContact O-N 3.06Å
380T60.8Low59.3Low65 Ų6592.3 Ų92.340%0.39949%0.492SS..Hα-helixtrans-64.9-39.3179.2-54.70000112.2N376 I377 L378 G384 F411N376-T380 WeakPolarHBondContact O-CB 3.28Å; N376-T380 PolarHBondContact O-N 3.17Å; N376-T380 PolarHBondContact O-OG1 2.68Å; I377-T380 PolarHBondContact O-N 3.19Å; L378-T380 PolarHBondContact O-N 2.79Å; T380-G384 PolarHBondContact O-N 3.39Å; T380-F411 HydrophobicContact CG2-CE1 4.22Å
381I63.3Low59.5Low106 Ų10691.4 Ų91.454%0.54449%0.493SS..Hα-helixtrans-66-41.2174.4-70.3166.6000110.8I377 L378 Y379 G384 C385I377-I381 HydrophobicContact CG2-CD1 3.91Å; I377-I381 WeakPolarHBondContact O-CB 3.16Å; I377-I381 WeakPolarHBondContact O-CD1 3.45Å; I377-I381 VanDerWaalsContact O-CG1 3.24Å; I377-I381 WeakPolarHBondContact O-CG1 3.42Å; I377-I381 PolarHBondContact O-N 3.28Å; L378-I381 PolarHBondContact O-N 3.22Å; Y379-I381 PolarHBondContact O-N 2.83Å; I381-G384 CarbonylContact O-C 3.49Å; I381-G384 WeakPolarHBondContact O-CA 3.23Å; I381-G384 PolarHBondContact O-N 3.14Å; I381-G384 VanDerWaalsContact O-N 3.14Å; I381-C385 PolarHBondContact O-N 3.26Å; I381-C385 PolarHBondContact O-SG 3.48Å
382H64.8Low59.4Low42 Ų4290.7 Ų90.719%0.19449%0.487CS..Hα-helixtrans-65-41.9178.418075.3000111.9C369 F373 L378 Y379 G384 C385 H386C369-H382 PolarHBondContact SG-NE2 3.11Å; C369-H382 VanDerWaalsContact SG-NE2 3.37Å; F373-H382 HydrophobicContact CE1-CB 4.15Å; F373-H382 HydrophobicContact CE2-CB 4.33Å; F373-H382 AromaticContact CE2-CD2 3.35Å; F373-H382 WeakPolarHBondContact CE2-CD2 3.43Å; F373-H382 AromaticContact CE2-CG 3.84Å; F373-H382 AromaticContact CE2-NE2 3.76Å; F373-H382 HydrophobicContact CZ-CB 3.84Å; F373-H382 AromaticContact CZ-CD2 3.31Å; F373-H382 WeakPolarHBondContact CZ-CD2 3.49Å; F373-H382 AromaticContact CZ-CE1 3.77Å; F373-H382 AromaticContact CZ-CG 3.34Å; F373-H382 AromaticContact CZ-ND1 3.63Å; F373-H382 AromaticContact CZ-NE2 3.6Å; L378-H382 VanDerWaalsContact O-CB 3.23Å; L378-H382 WeakPolarHBondContact O-CB 3.35Å; L378-H382 PolarHBondContact O-N 3.46Å; Y379-H382 PolarHBondContact O-N 3.33Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.95Å; H382-C385 WeakPolarHBondContact O-CB 3.4Å; H382-C385 PolarHBondContact O-N 3.19Å; H382-H386 AromaticContact CD2-NE2 3.66Å; H382-H386 AromaticContact CE1-NE2 3.28Å; H382-H386 PolarHBondContact CE1-NE2 3Å; H382-H386 VanDerWaalsContact CE1-NE2 3.28Å; H382-H386 AromaticContact NE2-CD2 3.79Å; H382-H386 AromaticContact NE2-NE2 2.98Å; H382-H386 PolarHBondContact NE2-NE2 2.88Å; H382-H386 PolarHBondContact O-CD2 3.12Å
383M61.8Low58.9Low61 Ų6186.8 Ų86.830%0.347%0.474SS..Hα-helixtrans-59.2-38.8169.6-70.3-62.193.500112.1C366 Y379 C385 H386C366-M383 HydrophobicContact CB-CE 3.87Å; C366-M383 WeakPolarHBondContact SG-CE 3.18Å; Y379-M383 HydrophobicContact CE1-CG 4.24Å; Y379-M383 HydrophobicContact CE2-CE 4.38Å; Y379-M383 HydrophobicContact CE2-CG 4.2Å; Y379-M383 HydrophobicContact CE2-SD 4.41Å; Y379-M383 WeakPolarHBondContact O-CG 3.42Å; Y379-M383 PolarHBondContact O-N 3.06Å; M383-C385 PolarHBondContact O-N 3.24Å; M383-H386 PolarHBondContact O-N 3.23Å
384G59.7Low57.8Low52 Ų5285.4 Ų85.454%0.53647%0.468SS..THydrogen-bonded Turntrans-67.8-7.9171.900000115.6T380 I381 H382T380-G384 PolarHBondContact O-N 3.39Å; I381-G384 CarbonylContact O-C 3.49Å; I381-G384 WeakPolarHBondContact O-CA 3.23Å; I381-G384 PolarHBondContact O-N 3.14Å; I381-G384 VanDerWaalsContact O-N 3.14Å; H382-G384 VanDerWaalsContact C-N 3.28Å; H382-G384 PolarHBondContact O-N 2.95Å
385C54.2Low57.2Low85 Ų8589.2 Ų89.257%0.57448%0.478SS*.THydrogen-bonded Turntrans-98.3-19.7178.4-69.60000114.2I381 H382 M383 G387I381-C385 PolarHBondContact O-N 3.26Å; I381-C385 PolarHBondContact O-SG 3.48Å; H382-C385 WeakPolarHBondContact O-CB 3.4Å; H382-C385 PolarHBondContact O-N 3.19Å; M383-C385 PolarHBondContact O-N 3.24Å; C385-G387 PolarHBondContact O-N 2.8Å
386H48.6Very low56.5Low96 Ų9690.1 Ų90.144%0.44448%0.482SS..SBendtrans-79.128.4178.5-72.6-71.5000113.5H382 M383H382-H386 AromaticContact CD2-NE2 3.66Å; H382-H386 AromaticContact CE1-NE2 3.28Å; H382-H386 PolarHBondContact CE1-NE2 3Å; H382-H386 VanDerWaalsContact CE1-NE2 3.28Å; H382-H386 AromaticContact NE2-CD2 3.79Å; H382-H386 AromaticContact NE2-NE2 2.98Å; H382-H386 PolarHBondContact NE2-NE2 2.88Å; H382-H386 PolarHBondContact O-CD2 3.12Å; M383-H386 PolarHBondContact O-N 3.23Å
387G43.8Very low56.4Low38 Ų3888.2 Ų88.239%0.39248%0.475SS..  trans-144.174.1-169.700000114.3C385C385-G387 PolarHBondContact O-N 2.8Å
388F40.8Very low56.1Low203 Ų20384.3 Ų84.389%0.8947%0.465SS*.THydrogen-bonded Turntrans-65.1138.3149.4-66.4-101.5000107
389E45.6Very low55.9Low181 Ų18182.6 Ų82.685%0.84646%0.461SS*.THydrogen-bonded Turncis-130.731.726.3-57-175.4118.300115.4
390N51.7Low55.6Low91 Ų9186.9 Ų86.949%0.48748%0.481SS..  trans-15799.5168.3-111.6-76.2000113.6F392 Q393N390-F392 PolarHBondContact O-N 2.83Å; N390-Q393 HydrophobicContact CB-CB 4.22Å; N390-Q393 PolarHBondContact O-N 3.18Å
391P57.6Low55.8Low95 Ų9584.8 Ų84.862%0.61747%0.468SS*.THydrogen-bonded Turntrans-74.215.5-170.832.4-38.4000115.3
392F59.4Low55.3Low81 Ų8188.7 Ų88.736%0.35548%0.481SS..THydrogen-bonded Turntrans-134.85.4176.6-49.2-60.8000113.5N390 C401 K404N390-F392 PolarHBondContact O-N 2.83Å; F392-C401 HydrophobicContact CB-CB 4.43Å; F392-C401 VanDerWaalsContact CB-O 3.28Å; F392-C401 WeakPolarHBondContact CB-O 3.46Å; F392-C401 WeakPolarHBondContact O-CB 3.44Å; F392-C401 PolarHBondContact O-N 3.32Å; F392-K404 HydrophobicContact CE1-CB 4.08Å
393Q57.3Low54.9Low59 Ų5989.4 Ų89.428%0.27649%0.487SS..BIsolated β-bridgetrans-95.2128.8174.9-168.3167.2-2.600110.2N390 G398 C399 K400N390-Q393 HydrophobicContact CB-CB 4.22Å; N390-Q393 PolarHBondContact O-N 3.18Å; Q393-G398 WeakPolarHBondContact CG-O 3.44Å; Q393-G398 PolarHBondContact NE2-O 3.21Å; Q393-C399 WeakPolarHBondContact CA-O 3.17Å; Q393-K400 HydrophobicContact CB-CG 4.11Å; Q393-K400 HydrophobicContact CG-CG 3.76Å
394C55Low54.8Low3 Ų392.9 Ų92.92%0.0250%0.5CS..  trans-81.2117174.8-176.70000110I396 C397 G398 C399 F407C394-I396 PolarHBondContact O-N 2.83Å; C394-C397 PolarHBondContact O-N 3.42Å; C394-C397 VanDerWaalsContact SG-SG 3.66Å; C394-G398 VanDerWaalsContact O-CA 3.23Å; C394-G398 WeakPolarHBondContact O-CA 3.35Å; C394-G398 PolarHBondContact O-N 3.33Å; C394-C399 PolarHBondContact N-O 2.86Å; C394-F407 HydrophobicContact CB-CE2 4.28Å
395N53.2Low54.7Low154 Ų15497.3 Ų97.382%0.82450%0.502SS*.THydrogen-bonded Turntrans-71.1-12.8-177.8-67.1-10000113.8
396I54.7Low54.8Low113 Ų11396.4 Ų96.458%0.57949%0.491SS*.THydrogen-bonded Turntrans-82.7-29.2-179.8-56.7174.5000112C394 F411 H416C394-I396 PolarHBondContact O-N 2.83Å; I396-F411 HydrophobicContact CD1-CE2 4.26Å; I396-H416 HydrophobicContact CG2-CB 4.17Å
397C57.3Low55.5Low52 Ų5294.7 Ų94.735%0.35148%0.482SS..THydrogen-bonded Turntrans-138.59.7-174.761.60000114.1C394 C399 H410C394-C397 PolarHBondContact O-N 3.42Å; C394-C397 VanDerWaalsContact SG-SG 3.66Å; C397-C399 PolarHBondContact O-N 3.02Å; C397-H410 PolarHBondContact SG-NE2 3.25Å
398G60.2Low56.2Low41 Ų4195.6 Ų95.642%0.42349%0.486SS..  trans66.2-3.9-178.300000116.2Q393 C394 K400Q393-G398 WeakPolarHBondContact CG-O 3.44Å; Q393-G398 PolarHBondContact NE2-O 3.21Å; C394-G398 VanDerWaalsContact O-CA 3.23Å; C394-G398 WeakPolarHBondContact O-CA 3.35Å; C394-G398 PolarHBondContact O-N 3.33Å; G398-K400 PolarHBondContact O-N 3.5Å
399C55.8Low56.8Low59 Ų5988.6 Ų88.640%0.39946%0.462SS..  trans-64.8123.1-171.7-79.20000113Q393 C394 C397 C401Q393-C399 WeakPolarHBondContact CA-O 3.17Å; C394-C399 PolarHBondContact N-O 2.86Å; C397-C399 PolarHBondContact O-N 3.02Å; C399-C401 PolarHBondContact O-N 3.23Å
400K62.7Low57.6Low148 Ų14882.6 Ų82.664%0.64343%0.434SS*.BIsolated β-bridgetrans-88.197.6175.9-69.3-179.4174.5179.60110.4Q393 G398Q393-K400 HydrophobicContact CB-CG 4.11Å; Q393-K400 HydrophobicContact CG-CG 3.76Å; G398-K400 PolarHBondContact O-N 3.5Å
401C63.5Low57.9Low21 Ų2183.2 Ų83.214%0.14243%0.432CS..  trans-68.9152.2174.3-60.10000110.8F392 C399 D406 F407F392-C401 HydrophobicContact CB-CB 4.43Å; F392-C401 VanDerWaalsContact CB-O 3.28Å; F392-C401 WeakPolarHBondContact CB-O 3.46Å; F392-C401 WeakPolarHBondContact O-CB 3.44Å; F392-C401 PolarHBondContact O-N 3.32Å; C399-C401 PolarHBondContact O-N 3.23Å; C401-D406 HydrophobicContact CB-CB 4.06Å; C401-F407 HydrophobicContact CB-CB 3.96Å; C401-F407 HydrophobicContact CB-CD2 4.4Å
402K54Low57.8Low188 Ų18882.8 Ų82.882%0.81744%0.437SS*.SBendtrans-89.7-17.9-174.3-61.4177.5-178.1175.30113.4D406K402-D406 WeakPolarHBondContact CB-OD2 3.36Å; K402-D406 PolarHBondContact N-OD2 3.47Å
403N56.8Low57.6Low57 Ų5787.8 Ų87.831%0.30545%0.453SS..SBendtrans-159171.4173.374.383.5000111.5Y405 D406 F407N403-Y405 VanDerWaalsContact C-N 3.3Å; N403-Y405 PolarHBondContact O-N 2.97Å; N403-Y405 WeakPolarHBondContact OD1-CA 3.31Å; N403-Y405 VanDerWaalsContact OD1-CB 3.32Å; N403-Y405 WeakPolarHBondContact OD1-CB 3.35Å; N403-Y405 WeakPolarHBondContact OD1-CD2 3.2Å; N403-Y405 PolarHBondContact OD1-N 3.37Å; N403-D406 PolarHBondContact N-OD2 2.85Å; N403-D406 PolarHBondContact ND2-OD1 2.97Å; N403-D406 PolarHBondContact ND2-OD2 2.82Å; N403-D406 WeakPolarHBondContact O-CB 3.43Å; N403-D406 PolarHBondContact O-N 3.18Å; N403-D406 PolarHBondContact OD1-N 2.98Å; N403-F407 PolarHBondContact O-N 2.88Å
404K59Low57.3Low133 Ų13387.5 Ų87.558%0.57847%0.466SS*.Hα-helixtrans-62.3-26.6-176.870174.4-169165.50115.9F392 A408F392-K404 HydrophobicContact CE1-CB 4.08Å; K404-A408 WeakPolarHBondContact O-CB 3.25Å; K404-A408 PolarHBondContact O-N 3.32Å
405Y57.3Low57Low145 Ų14595.4 Ų95.457%0.56950%0.503SS*.Hα-helixtrans-78.5-37.3177.1-59.3-80.8000110.7N403 F407 C409N403-Y405 VanDerWaalsContact C-N 3.3Å; N403-Y405 PolarHBondContact O-N 2.97Å; N403-Y405 WeakPolarHBondContact OD1-CA 3.31Å; N403-Y405 VanDerWaalsContact OD1-CB 3.32Å; N403-Y405 WeakPolarHBondContact OD1-CB 3.35Å; N403-Y405 WeakPolarHBondContact OD1-CD2 3.2Å; N403-Y405 PolarHBondContact OD1-N 3.37Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; Y405-C409 WeakPolarHBondContact O-CB 3.34Å; Y405-C409 PolarHBondContact O-N 3.41Å
406D56.2Low57Low67 Ų6790.6 Ų90.636%0.35848%0.475SS..Hα-helixtrans-61.1-43170.1-56.1-6.1000110.4C401 K402 N403 C409 H410C401-D406 HydrophobicContact CB-CB 4.06Å; K402-D406 WeakPolarHBondContact CB-OD2 3.36Å; K402-D406 PolarHBondContact N-OD2 3.47Å; N403-D406 PolarHBondContact N-OD2 2.85Å; N403-D406 PolarHBondContact ND2-OD1 2.97Å; N403-D406 PolarHBondContact ND2-OD2 2.82Å; N403-D406 WeakPolarHBondContact O-CB 3.43Å; N403-D406 PolarHBondContact O-N 3.18Å; N403-D406 PolarHBondContact OD1-N 2.98Å; D406-C409 PolarHBondContact O-N 2.88Å; D406-H410 WeakPolarHBondContact O-CB 3.37Å; D406-H410 PolarHBondContact O-N 3.19Å
407F64Low56.4Low59 Ų5992.7 Ų92.726%0.25949%0.488SS..Hα-helixtrans-61.7-51.5178-176.7-94.6000112C394 C401 N403 Y405 C409 H410 F411C394-F407 HydrophobicContact CB-CE2 4.28Å; C401-F407 HydrophobicContact CB-CB 3.96Å; C401-F407 HydrophobicContact CB-CD2 4.4Å; N403-F407 PolarHBondContact O-N 2.88Å; Y405-F407 VanDerWaalsContact C-N 3.31Å; F407-C409 VanDerWaalsContact C-N 3.31Å; F407-C409 PolarHBondContact O-N 3.36Å; F407-H410 PolarHBondContact O-N 3.08Å; F407-F411 WeakPolarHBondContact O-CB 3.38Å; F407-F411 PolarHBondContact O-N 3.24Å
408A58.3Low55.6Low57 Ų5799.3 Ų99.347%0.47151%0.514SS..Hα-helixtrans-61.3-38.5176.600000112.5K404 A412K404-A408 WeakPolarHBondContact O-CB 3.25Å; K404-A408 PolarHBondContact O-N 3.32Å; A408-A412 WeakPolarHBondContact O-CB 3.26Å; A408-A412 PolarHBondContact O-N 2.84Å
409C53.2Low54.3Low56 Ų56109.4 Ų109.438%0.37855%0.549SS..Hα-helixtrans-73.5-31.6177.9-1700000112.9Y405 D406 F407 R413Y405-C409 WeakPolarHBondContact O-CB 3.34Å; Y405-C409 PolarHBondContact O-N 3.41Å; D406-C409 PolarHBondContact O-N 2.88Å; F407-C409 VanDerWaalsContact C-N 3.31Å; F407-C409 PolarHBondContact O-N 3.36Å; C409-R413 WeakPolarHBondContact O-CB 3.48Å; C409-R413 WeakPolarHBondContact O-CD 3.4Å; C409-R413 WeakPolarHBondContact O-CG 3.23Å; C409-R413 PolarHBondContact O-N 3.45Å
410H62.3Low54.2Low55 Ų55112 Ų11226%0.25556%0.557SS.*Hα-helixtrans-68.6-48.8174178.170.9000110.7C397 D406 F407 R413C397-H410 PolarHBondContact SG-NE2 3.25Å; D406-H410 WeakPolarHBondContact O-CB 3.37Å; D406-H410 PolarHBondContact O-N 3.19Å; F407-H410 PolarHBondContact O-N 3.08Å; H410-R413 PolarHBondContact O-N 2.92Å
411F59.2Low53.8Low105 Ų105110.1 Ų110.146%0.46155%0.552SS.*Hα-helixtrans-59.5-48.7175.3-168.5-97.9000111.8T380 I396 F407 R413 G414T380-F411 HydrophobicContact CG2-CE1 4.22Å; I396-F411 HydrophobicContact CD1-CE2 4.26Å; F407-F411 WeakPolarHBondContact O-CB 3.38Å; F407-F411 PolarHBondContact O-N 3.24Å; F411-R413 PolarHBondContact O-N 3.46Å; F411-R413 VanDerWaalsContact O-N 3.12Å; F411-G414 PolarHBondContact O-N 2.97Å
412A55.5Low53.3Low86 Ų86115 Ų11571%0.71158%0.575SS**THydrogen-bonded Turntrans-68.1-7.9178.500000115A408A408-A412 WeakPolarHBondContact O-CB 3.26Å; A408-A412 PolarHBondContact O-N 2.84Å
413R55.1Low53.2Low186 Ų186110.7 Ų110.770%0.70256%0.561SS**THydrogen-bonded Turntrans-94.5-10.7176.1-82.4174176.2-171.7-0.8113.9C409 H410 F411 Q415C409-R413 WeakPolarHBondContact O-CB 3.48Å; C409-R413 WeakPolarHBondContact O-CD 3.4Å; C409-R413 WeakPolarHBondContact O-CG 3.23Å; C409-R413 PolarHBondContact O-N 3.45Å; H410-R413 PolarHBondContact O-N 2.92Å; F411-R413 PolarHBondContact O-N 3.46Å; F411-R413 VanDerWaalsContact O-N 3.12Å; R413-Q415 PolarHBondContact O-N 2.83Å
414G51Low53Low53 Ų53114.1 Ų114.155%0.54658%0.577SS.*  trans61.92.7166.400000117.8F411 H416F411-G414 PolarHBondContact O-N 2.97Å; G414-H416 PolarHBondContact O-N 3.1Å
415Q48.7Very low52.6Low169 Ų169112.8 Ų112.879%0.7958%0.577SS**  trans-78.769.8-177.5-71.5-167.1-21.600112.1R413R413-Q415 PolarHBondContact O-N 2.83Å
416H51.4Low52.2Low52 Ų52110.5 Ų110.524%0.24158%0.577CS.*  trans-98.871.2169.3-62.9-56000109.8I396 G414 Q418I396-H416 HydrophobicContact CG2-CB 4.17Å; G414-H416 PolarHBondContact O-N 3.1Å; H416-Q418 PolarHBondContact O-N 2.77Å; H416-Q418 VanDerWaalsContact O-N 3.1Å
417N43.7Very low51.9Low158 Ų158113.8 Ų113.885%0.84559%0.594SS**  trans-64.2111.1165-79.35.3000108.1
418Q40.6Very low50.9Low191 Ų191118.4 Ų118.489%0.89362%0.622SS**  trans-70.4135.9170.6-65.4176.4-16.200109.3H416H416-Q418 PolarHBondContact O-N 2.77Å; H416-Q418 VanDerWaalsContact O-N 3.1Å
419H32.2Very low50.3Low253 Ų253124 Ų124100%1.17164%0.636SS**  trans-156.90168.8-155-39.1000110.1

Retrieved 419 of 419 residues in 1455.6 ms (Link to these results)

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